1 |
HT2LIG000209 |
Cc1c2ccncc2c(C)c2c3ccccc3[nH]c12 |
PDB
| SDF | MOL2 |
J. Biol. Chem.1995,270,25,14998 |
2 |
HT2LIG000220 |
CN(CCOC(=O)CC(=O)OCCN(C)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2008,16,7,3959 |
3 |
HT2LIG000221 |
CN(CCOC(=O)CCC(=O)OCCN(C)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2008,16,7,3959 |
4 |
HT2LIG000222 |
CN(CCOC(=O)CCCC(=O)OCCN(C)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2008,16,7,3959 |
5 |
HT2LIG000223 |
CN(CCOC(=O)CCCCC(=O)OCCN(C)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2008,16,7,3959 |
6 |
HT2LIG000224 |
c1ccc(Cl)c2c1c1c3c(c2=O)cccc3n(n1)CCN(C)CCOC(=O)CCCCCC(=O)OCCN(C)CCn1nc2c3c(c(=O)c4cccc1c24)c(Cl)ccc3 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2008,16,7,3959 |
7 |
HT2LIG000225 |
CN(CCO)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2008,16,7,3959 |
8 |
HT2LIG000226 |
OCCNCCNc1ccc2c3c(nn2CCNCCO)c2cccc(O)c2c(=O)c13 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2008,16,7,3959 |
9 |
HT2LIG000227 |
OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2008,16,7,3959 |
10 |
HT2LIG000228 |
NCCCNc1ccc2c3c(nn2CCNCCO)c2c(O)ccc(O)c2c(=O)c13 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2008,16,7,3959 |
11 |
HT2LIG000229 |
COc1ccc(Cn2nnc3C(=O)c4cnncc4C(=O)c23)cc1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2008,16,8,4545 |
12 |
HT2LIG000230 |
O=C1c2cnncc2C(=O)c2[nH]nnc12 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2008,16,8,4545 |
13 |
HT2LIG000231 |
Cn1nnc2C(=O)c3cnncc3C(=O)c12 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2008,16,8,4545 |
14 |
HT2LIG000232 |
CCn1nnc2C(=O)c3cnncc3C(=O)c12 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2008,16,8,4545 |
15 |
HT2LIG000233 |
CCCn1nnc2C(=O)c3cnncc3C(=O)c12 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2008,16,8,4545 |
16 |
HT2LIG000234 |
CCCCn1nnc2C(=O)c3cnncc3C(=O)c12 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2008,16,8,4545 |
17 |
HT2LIG000235 |
CC(C)n1nnc2C(=O)c3cnncc3C(=O)c12 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2008,16,8,4545 |
18 |
HT2LIG000236 |
CC(C)Cn1nnc2C(=O)c3cnncc3C(=O)c12 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2008,16,8,4545 |
19 |
HT2LIG000237 |
Cn1nc2C(=O)c3cnncc3C(=O)c2n1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2008,16,8,4545 |
20 |
HT2LIG000238 |
CCn1nc2C(=O)c3cnncc3C(=O)c2n1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2008,16,8,4545 |
21 |
HT2LIG000239 |
CCCn1nc2C(=O)c3cnncc3C(=O)c2n1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2008,16,8,4545 |
22 |
HT2LIG000240 |
CCCCn1nc2C(=O)c3cnncc3C(=O)c2n1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2008,16,8,4545 |
23 |
HT2LIG000241 |
CC(C)n1nc2C(=O)c3cnncc3C(=O)c2n1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2008,16,8,4545 |
24 |
HT2LIG000242 |
CC(C)Cn1nc2C(=O)c3cnncc3C(=O)c2n1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2008,16,8,4545 |
25 |
HT2LIG000247 |
CC(=O)c1ccc(Nc2ccnc3ccc4[nH]ccc4c23)cc1 |
PDB
| SDF | MOL2 |
Eur. J. Med. Chem.,2008,43,2,429 |
26 |
HT2LIG000292 |
[O-][N+](=O)c1cc2c(=O)n(CCCCNCCNCCCNCCNCCCCn3c(=O)c4cccc5cc(cc(c3=O)c45)[N+](=O)[O-])c(=O)c3cccc(c1)c23 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2009,17,1,13 |
27 |
HT2LIG000293 |
CN(CCNC(=O)CC(=O)NCCN(C)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2009,17,13,4575 |
28 |
HT2LIG000294 |
CN(CCNC(=O)CCC(=O)NCCN(C)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2009,17,13,4575 |
29 |
HT2LIG000295 |
CN(CCNC(=O)CCCC(=O)NCCN(C)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2009,17,13,4575 |
30 |
HT2LIG000296 |
CN(CCNC(=O)CCCCC(=O)NCCN(C)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2009,17,13,4575 |
31 |
HT2LIG000297 |
CN(CCNC(=O)CCCCCC(=O)NCCN(C)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2009,17,13,4575 |
32 |
HT2LIG000298 |
CN(CCN=[N+]=[N-])CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2009,17,13,4575 |
33 |
HT2LIG000299 |
CN(CCN)CCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2009,17,13,4575 |
34 |
HT2LIG000314 |
CCN(CC)CCNc1nc2c(Nc3ccccc3)c3ccccc3nc2s1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2009,17,9,3266 |
35 |
HT2LIG000315 |
CCN(CC)CCCNc1nc2c(Nc3cccc(Cl)c3)c3ccccc3nc2s1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2009,17,9,3266 |
36 |
HT2LIG000316 |
CSc1nc2c(Nc3cccc(Cl)c3)c3ccccc3nc2s1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2009,17,9,3266 |
37 |
HT2LIG000317 |
CSc1nc2c(Nc3ccc(Cl)cc3)c3ccccc3nc2s1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2009,17,9,3266 |
38 |
HT2LIG000318 |
CNc1cccc(Nc2c3ccccc3nc3sc(SC)nc23)c1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2009,17,9,3266 |
39 |
HT2LIG000319 |
CSc1nc2c(Nc3cccc(c3)C(F)(F)F)c3ccccc3nc2s1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2009,17,9,3266 |
40 |
HT2LIG000320 |
CSc1nc2c(Nc3cccc(O)c3)c3ccccc3nc2s1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2009,17,9,3266 |
41 |
HT2LIG000321 |
CSc1nc2c(Nc3cccc(N)c3)c3ccccc3nc2s1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2009,17,9,3266 |
42 |
HT2LIG000322 |
CSc1nc2c(Nc3cc(N)cc(CO)c3)c3ccccc3nc2s1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2009,17,9,3266 |
43 |
HT2LIG000323 |
CSc1nc2c(Nc3cccc(NC(=O)C)c3)c3ccccc3nc2s1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2009,17,9,3266 |
44 |
HT2LIG000325 |
[O-][N+](=O)c1ccc(/C=C/C(=O)c2ccc(Nc3ccnc4ccc5[nH]ccc5c34)cc2)cc1 |
PDB
| SDF | MOL2 |
Eur. J. Med. Chem.,2009,44,7,2854 |
45 |
HT2LIG000327 |
CN(C)CCNC(=O)c1cc2c3ccccc3[nH]c2c2ncccc12 |
PDB
| SDF | MOL2 |
Eur. J. Med. Chem.,2009,44,8,3235 |
46 |
HT2LIG000328 |
CN(C)CCCNC(=O)c1cc2c3ccccc3[nH]c2c2ncccc12 |
PDB
| SDF | MOL2 |
Eur. J. Med. Chem.,2009,44,8,3235 |
47 |
HT2LIG000329 |
CN(C)CCNC(=O)c1cc2c3cc(Cl)ccc3[nH]c2c2ncccc12 |
PDB
| SDF | MOL2 |
Eur. J. Med. Chem.,2009,44,8,3235 |
48 |
HT2LIG000330 |
CN(C)CCCNC(=O)c1cc2c3cc(Cl)ccc3[nH]c2c2ncccc12 |
PDB
| SDF | MOL2 |
Eur. J. Med. Chem.,2009,44,8,3235 |
49 |
HT2LIG000334 |
COc1ccc2c(=O)c3[nH]c4ccccc4c3sc2c1 |
PDB
| SDF | MOL2 |
J. Med. Chem.,2009,52,17,5429 |
50 |
HT2LIG000335 |
COc1ccc2c(=O)c3c(sc2c1)c1ccccc1n3CCN(C)C |
PDB
| SDF | MOL2 |
J. Med. Chem.,2009,52,17,5429 |
51 |
HT2LIG000336 |
CCN(CC)CCn1c2c(=O)c3ccc(OC)cc3sc2c2ccccc12 |
PDB
| SDF | MOL2 |
J. Med. Chem.,2009,52,17,5429 |
52 |
HT2LIG000337 |
COc1ccc2c(=O)c3c(sc2c1)c1ccccc1n3CCCN(C)C |
PDB
| SDF | MOL2 |
J. Med. Chem.,2009,52,17,5429 |
53 |
HT2LIG000338 |
CCN(CC)CCCn1c2c(=O)c3ccc(OC)cc3sc2c2ccccc12 |
PDB
| SDF | MOL2 |
J. Med. Chem.,2009,52,17,5429 |
54 |
HT2LIG000339 |
COc1ccc2c(=O)c3c(sc2c1)c1cc(OC)ccc1n3CCN(C)C |
PDB
| SDF | MOL2 |
J. Med. Chem.,2009,52,17,5429 |
55 |
HT2LIG000359 |
o1ccc(c1)c1cc(nc(c1)c1cccs1)c1cccs1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem. Lett.,2010,20,1,42 |
56 |
HT2LIG000360 |
o1cccc1c1cc(nc(c1)c1cccs1)c1ccsc1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem. Lett.,2010,20,1,42 |
57 |
HT2LIG000361 |
o1ccc(c1)c1cc(nc(c1)c1cccs1)c1ccsc1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem. Lett.,2010,20,1,42 |
58 |
HT2LIG000362 |
o1cccc1c1cc(nc(c1)c1ccsc1)c1ccsc1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem. Lett.,2010,20,1,42 |
59 |
HT2LIG000365 |
Clc1oc(cc1)c1cc(nc(c1)c1cccs1)c1cccs1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem. Lett.,2010,20,1,42 |
60 |
HT2LIG000367 |
Clc1oc(cc1)c1cc(nc(c1)c1cccs1)c1ccsc1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem. Lett.,2010,20,1,42 |
61 |
HT2LIG000370 |
Cc1ccsc1c1cc(cc(n1)c1cccs1)c1occc1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem. Lett.,2010,20,1,42 |
62 |
HT2LIG000372 |
Cc1oc(cc1)c1cc(nc(c1)c1sccc1C)c1cccs1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem. Lett.,2010,20,1,42 |
63 |
HT2LIG000373 |
Cc1ccsc1c1cc(cc(n1)c1ccsc1)c1occc1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem. Lett.,2010,20,1,42 |
64 |
HT2LIG000376 |
Cc1ccsc1c1cc(cc(n1)c1sccc1C)c1occc1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem. Lett.,2010,20,1,42 |
65 |
HT2LIG000461 |
Cn1cc(N)cc1C(=O)NCCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2010,18,11,3974 |
66 |
HT2LIG000462 |
Cn1cc(N)cc1C(=O)NCCn1nc2c3ccccc3c(=O)c3cccc1c23 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2010,18,11,3974 |
67 |
HT2LIG000463 |
CN(C)CC(=O)Nc1cc(C(=O)NCCn2nc3c4cccc(Cl)c4c(=O)c4cccc2c34)n(C)c1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2010,18,11,3974 |
68 |
HT2LIG000464 |
CN(C)CC(=O)Nc1cc(C(=O)NCCn2nc3c4ccccc4c(=O)c4cccc2c34)n(C)c1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2010,18,11,3974 |
69 |
HT2LIG000465 |
Cn1cc(NC(=O)c2cc(NC(=O)OC(C)(C)C)cn2C)cc1C(=O)NCCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2010,18,11,3974 |
70 |
HT2LIG000466 |
Cn1cc(NC(=O)c2cc(NC(=O)OC(C)(C)C)cn2C)cc1C(=O)NCCn1nc2c3ccccc3c(=O)c3cccc1c23 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2010,18,11,3974 |
71 |
HT2LIG000467 |
Cn1cc(N)cc1C(=O)Nc1cc(C(=O)NCCn2nc3c4cccc(Cl)c4c(=O)c4cccc2c34)n(C)c1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2010,18,11,3974 |
72 |
HT2LIG000468 |
Cn1cc(N)cc1C(=O)Nc1cc(C(=O)NCCn2nc3c4ccccc4c(=O)c4cccc2c34)n(C)c1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2010,18,11,3974 |
73 |
HT2LIG000469 |
CN(C)CC(=O)Nc1ccc(C(=O)Nc2cc(C(=O)NCCn3nc4c5cccc(Cl)c5c(=O)c5cccc3c45)n(C)c2)n1C |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2010,18,11,3974 |
74 |
HT2LIG000470 |
CN(C)CC(=O)Nc1ccc(C(=O)Nc2cc(C(=O)NCCn3nc4c5ccccc5c(=O)c5cccc3c45)n(C)c2)n1C |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2010,18,11,3974 |
75 |
HT2LIG000471 |
OCCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2010,18,11,3974 |
76 |
HT2LIG000472 |
OCCn1nc2c3ccccc3c(=O)c3cccc1c23 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2010,18,11,3974 |
77 |
HT2LIG000473 |
NCCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2010,18,11,3974 |
78 |
HT2LIG000474 |
NCCn1nc2c3ccccc3c(=O)c3cccc1c23 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2010,18,11,3974 |
79 |
HT2LIG000475 |
Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)NCCn1nc2c3cccc(Cl)c3c(=O)c3cccc1c23 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2010,18,11,3974 |
80 |
HT2LIG000476 |
Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)NCCn1nc2c3ccccc3c(=O)c3cccc1c23 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2010,18,11,3974 |
81 |
HT2LIG000477 |
Cn1cc(NC(=O)c2cc(NC(=O)CNC(=N)N)cn2C)cc1C(=O)NCCC(=N)N |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2010,18,11,3974 |
82 |
HT2LIG000484 |
Cc1cc(=O)oc2c(C)c3oc4cnncc4c3cc12 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2010,18,15,5708 |
83 |
HT2LIG000485 |
CCN(CC)CCCNC(=O)c1nncc2oc3c(C)c4oc(=O)cc(C)c4cc3c12 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2010,18,15,5708 |
84 |
HT2LIG000486 |
CCN(CC)CCCNC(=O)c1nnc(C(=O)NCCCN(CC)CC)c2c1oc1c(C)c3oc(=O)cc(C)c3cc21 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2010,18,15,5708 |
85 |
HT2LIG000488 |
NCCCC[C@H](N)C(=O)CCn1c(=O)c2ccccc2c2c1c1ccccc1C2=O |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2010,18,22,8119 |
86 |
HT2LIG000489 |
NCCCCC(N)C(=O)CCn1c(=O)c2ccccc2c2c1c1ccccc1C2=O |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2010,18,22,8119 |
87 |
HT2LIG000494 |
N[C@@H](CCCNC(=N)N)C(=O)NCCCn1c(=O)c2ccccc2c2c1c1ccccc1C2=O |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2010,18,22,8119 |
88 |
HT2LIG000495 |
NCCNCCn1c(=O)c2ccccc2c2c1c1ccccc1C2=O |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2010,18,22,8119 |
89 |
HT2LIG000496 |
NCCNCCCn1c(=O)c2ccccc2c2c1c1ccccc1C2=O |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2010,18,22,8119 |
90 |
HT2LIG000497 |
NCCCCC(N)CNCCn1c(=O)c2ccccc2c2c1c1ccccc1C2=O |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2010,18,22,8119 |
91 |
HT2LIG000498 |
NCCCCC(N)CNCCCn1c(=O)c2ccccc2c2c1c1ccccc1C2=O |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2010,18,22,8119 |
92 |
HT2LIG000510 |
O=c1c2ccc3ccccc3c2oc2cc(OCC3CS3)cc(OCC3CS3)c12 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2010,18,3,1010 |
93 |
HT2LIG000518 |
O=c1c2cc3ccccc3cc2oc2cc(OCC3CO3)cc(OCC3CO3)c12 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2010,18,3,1010 |
94 |
HT2LIG000525 |
C(CNCCCNc1nc2ccccc2c2[nH]c3ccccc3c12)CNc1nc2ccccc2c2[nH]c3ccccc3c12 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2010,18,5,1948 |
95 |
HT2LIG000601 |
CCCCCCCCNc1ccc2c(=O)n(CCCN3CCN(C)CC3)c(=O)c3cccc1c23 |
PDB
| SDF | MOL2 |
J. Med. Chem.,2010,53,6,2589 |
96 |
HT2LIG000602 |
CCCCCCCCCCCCNc1ccc2c(=O)n(CCCN3CCN(C)CC3)c(=O)c3cccc1c23 |
PDB
| SDF | MOL2 |
J. Med. Chem.,2010,53,6,2589 |
97 |
HT2LIG000603 |
CCCCCCCCNc1ccc2c(=O)n(CCCNCCN(C)C)c(=O)c3cccc1c23 |
PDB
| SDF | MOL2 |
J. Med. Chem.,2010,53,6,2589 |
98 |
HT2LIG000604 |
CCCCCCCCCCCCNc1ccc2c(=O)n(CCCNCCN(C)C)c(=O)c3cccc1c23 |
PDB
| SDF | MOL2 |
J. Med. Chem.,2010,53,6,2589 |
99 |
HT2LIG000605 |
CCCCCCCCn1c(=O)c2cccc3c(NCCN4CCN(C)CC4)ccc(c1=O)c23 |
PDB
| SDF | MOL2 |
J. Med. Chem.,2010,53,6,2589 |
100 |
HT2LIG000606 |
CCCCCCCCCCCCn1c(=O)c2cccc3c(NCCN4CCN(C)CC4)ccc(c1=O)c23 |
PDB
| SDF | MOL2 |
J. Med. Chem.,2010,53,6,2589 |
101 |
HT2LIG000607 |
CCCCCCCCn1c(=O)c2cccc3c(NCCNCCN(C)C)ccc(c1=O)c23 |
PDB
| SDF | MOL2 |
J. Med. Chem.,2010,53,6,2589 |
102 |
HT2LIG000608 |
CCCCCCCCCCCCn1c(=O)c2cccc3c(NCCNCCN(C)C)ccc(c1=O)c23 |
PDB
| SDF | MOL2 |
J. Med. Chem.,2010,53,6,2589 |
103 |
HT2LIG000635 |
COc1cc(O)c2C(=O)[C@]3(O)[C@@H](COc4cc(OC)c(OC)cc34)Oc2c1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem. Lett.,2011,21,16,4813 |
104 |
HT2LIG000636 |
COc1cc(OCC(O)CNCc2ccccc2)c2C(=O)[C@]3(O)[C@@H](COc4cc(OC)c(OC)cc34)Oc2c1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem. Lett.,2011,21,16,4813 |
105 |
HT2LIG000637 |
COc1cc(OCC(O)CNCCc2ccccc2)c2C(=O)[C@]3(O)[C@@H](COc4cc(OC)c(OC)cc34)Oc2c1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem. Lett.,2011,21,16,4813 |
106 |
HT2LIG000638 |
COc1cc(OCC(O)CNCC(O)c2ccccc2)c2C(=O)[C@]3(O)[C@@H](COc4cc(OC)c(OC)cc34)Oc2c1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem. Lett.,2011,21,16,4813 |
107 |
HT2LIG000639 |
COc1cc(OCC2CO2)c2C(=O)[C@]3(O)[C@@H](COc4cc(OC)c(OC)cc34)Oc2c1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem. Lett.,2011,21,16,4813 |
108 |
HT2LIG000640 |
COc1cc(OCC(O)CCl)c2C(=O)[C@]3(O)[C@@H](COc4cc(OC)c(OC)cc34)Oc2c1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem. Lett.,2011,21,16,4813 |
109 |
HT2LIG000641 |
COc1cc(OCC(O)CO)c2C(=O)[C@]3(O)[C@@H](COc4cc(OC)c(OC)cc34)Oc2c1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem. Lett.,2011,21,16,4813 |
110 |
HT2LIG000642 |
COCC(O)COc1cc(OC)cc2O[C@@H]3COc4cc(OC)c(OC)cc4[C@]3(O)C(=O)c12 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem. Lett.,2011,21,16,4813 |
111 |
HT2LIG000643 |
COc1cc(OCC(O)CN2CCOCC2)c2C(=O)[C@]3(O)[C@@H](COc4cc(OC)c(OC)cc34)Oc2c1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem. Lett.,2011,21,16,4813 |
112 |
HT2LIG000644 |
COc1cc(OCC(O)CNCCN2CCOCC2)c2C(=O)[C@]3(O)[C@@H](COc4cc(OC)c(OC)cc34)Oc2c1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem. Lett.,2011,21,16,4813 |
113 |
HT2LIG000645 |
COc1cc(OCC(O)CN2CCC(=O)CC2)c2C(=O)[C@]3(O)[C@@H](COc4cc(OC)c(OC)cc34)Oc2c1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem. Lett.,2011,21,16,4813 |
114 |
HT2LIG000646 |
COc1cc(OCC(O)CN(CCO)CCO)c2C(=O)[C@]3(O)[C@@H](COc4cc(OC)c(OC)cc34)Oc2c1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem. Lett.,2011,21,16,4813 |
115 |
HT2LIG000666 |
O=c1n(CCNCCCNCCn2c(=O)c3cccc4cccc(c2=O)c34)c(=O)c2cccc3cccc1c23 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2011,19,18,5291 |
116 |
HT2LIG000667 |
Cn1ccc2c3ccoc3c3c(=O)n(CCNCCCNCCn4c(=O)c5c(c4=O)c4c(ccn4C)c4ccoc54)c(=O)c3c12 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2011,19,18,5291 |
117 |
HT2LIG000771 |
COC1O[C@H](C)[C@@H](C)c2c(C)c3Oc4c([C@H]5O[C@H](C)[C@@H](C)c6c(C)c(O)cc(O)c56)c(O)c(C)c5[C@H](C)[C@@H](C)O[C@@H](c3c(O)c12)c45 |
PDB
| SDF | MOL2 |
J. Med. Chem.,2011,54,16,5796 |
118 |
HT2LIG000772 |
CN(C)CCNc1ccc2c3c(nn2CCN(C)C)c2cnccc2c(=O)c13 |
PDB
| SDF | MOL2 |
J. Med. Chem.,2011,54,23,8224 |
119 |
HT2LIG000773 |
C[N+](C)([O-])CCNc1ccc2c3c(nn2CC[N+](C)(C)[O-])c2cnccc2c(=O)c13 |
PDB
| SDF | MOL2 |
J. Med. Chem.,2011,54,23,8224 |
120 |
HT2LIG000908 |
O=c1[nH]c2ccc(cc2c2c1sc1cc(ccc21)C1=NCCN1)C1=NCCN1 |
PDB
| SDF | MOL2 |
J. Med. Chem.,2012,55,11,5044 |
121 |
HT2LIG001045 |
COc1ccccc1c1ccc2cccc3c(=O)n(CCN(C)C)c(=O)c1c23 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2013,21,21,6484 |
122 |
HT2LIG001046 |
COc1ccc(cc1)c1ccc2cccc3c(=O)n(CCN(C)C)c(=O)c1c23 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2013,21,21,6484 |
123 |
HT2LIG001047 |
COc1ccccc1c1cc2c(=O)n(CCN(C)C)c(=O)c3cccc(c1)c23 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2013,21,21,6484 |
124 |
HT2LIG001048 |
COc1cccc(c1)c1cc2c(=O)n(CCN(C)C)c(=O)c3cccc(c1)c23 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2013,21,21,6484 |
125 |
HT2LIG001049 |
COc1ccc(cc1)c1cc2c(=O)n(CCN(C)C)c(=O)c3cccc(c1)c23 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2013,21,21,6484 |
126 |
HT2LIG001050 |
COc1ccccc1c1ccc2c(=O)n(CCN(C)C)c(=O)c3cccc1c23 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2013,21,21,6484 |
127 |
HT2LIG001051 |
COc1cccc(c1)c1ccc2c(=O)n(CCN(C)C)c(=O)c3cccc1c23 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2013,21,21,6484 |
128 |
HT2LIG001052 |
COc1ccc(cc1)c1ccc2c(=O)n(CCN(C)C)c(=O)c3cccc1c23 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2013,21,21,6484 |
129 |
HT2LIG001053 |
CN(C)CCn1c(=O)c2cccc3cc(cc(c1=O)c23)c1cccc(O)c1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2013,21,21,6484 |
130 |
HT2LIG001054 |
CN(C)CCn1c(=O)c2cccc3cc(cc(c1=O)c23)c1ccccc1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2013,21,21,6484 |
131 |
HT2LIG001055 |
CN(C)CCn1c(=O)c2cccc3cc(cc(c1=O)c23)c1cccc(c1)C(F)(F)F |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2013,21,21,6484 |
132 |
HT2LIG001056 |
CN(C)CCn1c(=O)c2cccc3cc(cc(c1=O)c23)c1cccc(c1)[N+](=O)[O-] |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2013,21,21,6484 |
133 |
HT2LIG001057 |
CN(C)CCn1c(=O)c2cccc3cc(cc(c1=O)c23)c1cccc(N)c1 |
PDB
| SDF | MOL2 |
Bioorg. Med. Chem.,2013,21,21,6484 |
134 |
HT2LIG001085 |
CN(C)CCn1c(=O)c2ccc3oc4ccccc4c4ccc(c1=O)c2c34 |
PDB
| SDF | MOL2 |
Eur. J. Med. Chem.,2013,62,,130 |
135 |
HT2LIG001086 |
CN(C)CCn1c(=O)c2cccc3c4oc5ccccc5c4cc(c1=O)c23 |
PDB
| SDF | MOL2 |
Eur. J. Med. Chem.,2013,62,,130 |
136 |
HT2LIG001087 |
CN(C)CCn1c(=O)c2ccc3sc4ccccc4c4ccc(c1=O)c2c34 |
PDB
| SDF | MOL2 |
Eur. J. Med. Chem.,2013,62,,130 |
137 |
HT2LIG001088 |
CN(C)CCn1c(=O)c2cccc3c4sc5ccccc5c4cc(c1=O)c23 |
PDB
| SDF | MOL2 |
Eur. J. Med. Chem.,2013,62,,130 |
138 |
HT2LIG001096 |
CCCCCCn1c(=O)c2cccc3c(NCCNCCN(C)C)ccc(c1=O)c23 |
PDB
| SDF | MOL2 |
Eur. J. Med. Chem.,2013,65,,477 |