| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L011361
BDB011361
|
BDBM236411
COc1nc(N(C)C)ncc1-c1c(C#N)c2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O
|
C29H27Cl2N7O3 592.487000 |
LNDKLOVDDSDBLX-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB
BindingDB:BDBM236411
|
Local ready
Direct docking supported
|
|
E3L011362
BDB011362
|
BDBM236412
CNc1ncc(-c2cc3c(n2C(C)C)[C@H](c2ccc(C#N)cc2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1
|
C28H26ClN7O3 544.015000 |
QKOFNLDIMVQPMB-QHCPKHFHSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236412; PubChem:CID90058494
|
Local ready
Direct docking supported
|
|
E3L011363
BDB011363
|
BDBM236413
CNc1ncc(-c2cc3c(n2C(C)C)[C@@H](c2ccc(C#N)cc2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1
|
C28H26ClN7O3 544.015000 |
QKOFNLDIMVQPMB-HSZRJFAPSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236413; PubChem:CID90058495
|
Local ready
Direct docking supported
|
|
E3L011364
BDB011364
|
BDBM236414
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)[C@H](c1ccc(C#N)cc1)N(c1cc(Cl)c[nH]c1=O)C2=O
|
C28H26ClN7O3 544.015000 |
MBCRUKORVFBRLW-QHCPKHFHSA-N | O15151, Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236414; PubChem:CID90016825
|
Local ready
Direct docking supported
|
|
E3L011365
BDB011365
|
BDBM236415
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)[C@@H](c1ccc(C#N)cc1)N(c1cc(Cl)c[nH]c1=O)C2=O
|
C28H26ClN7O3 544.015000 |
MBCRUKORVFBRLW-HSZRJFAPSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236415; PubChem:CID90031419
|
Local ready
Direct docking supported
|
|
E3L011366
BDB011366
|
BDBM236416
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)[C@H](c1ccc(C#N)cc1)N(c1ccc(F)c(Cl)c1)C2=O
|
C29H26ClFN6O2 545.018000 |
HHNKSOUSJFWEBC-VWLOTQADSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236416; PubChem:CID90016041
|
Local ready
Direct docking supported
|
|
E3L011367
BDB011367
|
BDBM236417
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)[C@@H](c1ccc(C#N)cc1)N(c1ccc(F)c(Cl)c1)C2=O
|
C29H26ClFN6O2 545.018000 |
HHNKSOUSJFWEBC-RUZDIDTESA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236417; PubChem:CID90015566
|
Local ready
Direct docking supported
|
|
E3L011368
BDB011368
|
BDBM236418
COc1nc(N)ncc1-c1cc2c(n1C(C)C)[C@H](c1ccc(C#N)cc1)N(c1ccc(F)c(Cl)c1)C2=O
|
C27H22ClFN6O2 516.964000 |
WDNMFYATUPBESP-QHCPKHFHSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236418; PubChem:CID90015867
|
Local ready
Direct docking supported
|
|
E3L011369
BDB011369
|
BDBM236419
COc1nc(N)ncc1-c1cc2c(n1C(C)C)[C@@H](c1ccc(C#N)cc1)N(c1ccc(F)c(Cl)c1)C2=O
|
C27H22ClFN6O2 516.964000 |
WDNMFYATUPBESP-HSZRJFAPSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236419; PubChem:CID72206107
|
Local ready
Direct docking supported
|
|
E3L011370
BDB011370
|
BDBM236420
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(C#N)cc2)N([C@H]2CC[C@H](O)CC2)C3=O)c(OC)n1
|
C28H31N5O4 501.587000 |
CLJJHBGCJSNWAQ-OPYUEGPBSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB
BindingDB:BDBM236420
|
Local ready
Direct docking supported
|
|
E3L011371
BDB011371
|
BDBM236421
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(C#N)cc1)N([C@H]1CC[C@H](O)CC1)C2=O
|
C29H34N6O3 514.630000 |
IEFXGRVCFNJNAD-FPCUACJBSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB
BindingDB:BDBM236421
|
Local ready
Direct docking supported
|
|
E3L011372
BDB011372
|
BDBM236422
COc1nc(N)ncc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(C)nn1C)C2=O
|
C25H26ClN7O2 491.983000 |
LXERHGYQVXUJRQ-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236422; PubChem:CID90058457
|
Local ready
Direct docking supported
|
|
E3L011373
BDB011373
|
BDBM236423
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(Cl)cc2)N(c2cc(C)nn2C)C3=O)c(OC)n1
|
C26H27ClN6O3 506.994000 |
WMFVQJAVWMCEBZ-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236423; PubChem:CID72206282
|
Local ready
Direct docking supported
|
|
E3L011374
BDB011374
|
BDBM236424
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(C)nn1C)C2=O
|
C27H30ClN7O2 520.037000 |
PEACFZXEMOIJCG-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236424; PubChem:CID90015605
|
Local ready
Direct docking supported
|
|
E3L011375
BDB011375
|
BDBM236425
COc1cn(C)c(=O)cc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(C)nn1C)C2=O
|
C27H28ClN5O3 506.006000 |
DIXMCKXJOYQMFQ-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236425; PubChem:CID90015340
|
Local ready
Direct docking supported
|
|
E3L011376
BDB011376
|
BDBM236426
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(C#N)cc2)N(c2cc(C)nn2C)C3=O)c(OC)n1
|
C27H27N7O3 497.559000 |
SYFLQGBLVFJSKU-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236426; PubChem:CID86703212
|
Local ready
Direct docking supported
|
|
E3L011377
BDB011377
|
BDBM236427
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(C#N)cc1)N(c1cc(C)nn1C)C2=O
|
C28H30N8O2 510.602000 |
XBEOBDCKLAOUOT-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236427; PubChem:CID90016034
|
Local ready
Direct docking supported
|
|
E3L011378
BDB011378
|
BDBM236428
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(Cl)cc2)N(c2cn(C)nc2C)C3=O)c(OC)n1
|
C26H27ClN6O3 506.994000 |
ACKYWAVUACZTMI-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236428; PubChem:CID86703213
|
Local ready
Direct docking supported
|
|
E3L011379
BDB011379
|
BDBM236429
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cn(C)nc1C)C2=O
|
C27H30ClN7O2 520.037000 |
VARROHUFPFRARO-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236429; PubChem:CID72206283
|
Local ready
Direct docking supported
|
|
E3L011380
BDB011380
|
BDBM236430
COc1ccc(S(C)(=O)=O)cc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cn(C)nc1C)C2=O
|
C28H29ClN4O4S 553.084000 |
QIDDUFPDNUMICE-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236430; PubChem:CID72206284
|
Local ready
Direct docking supported
|