| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L011401
BDB011401
|
BDBM236451
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(Cl)cc2)N(c2cc(Cl)c[nH]c2=O)C3=O)c(OC)n1
|
C26H23Cl2N5O4 540.407000 |
CUIOMQNWVMUUNY-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236451; PubChem:CID90016198
|
Local ready
Direct docking supported
|
|
E3L011402
BDB011402
|
BDBM236452
COc1cn(C)c(=O)cc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)cnc1OC)C2=O
|
C28H26Cl2N4O4 553.446000 |
PXWJWRPJJCGZCB-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB
BindingDB:BDBM236452
|
Local ready
Direct docking supported
|
|
E3L011403
BDB011403
|
BDBM236453
COc1nc(N)ncc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)cnc1OC)C2=O
|
C26H24Cl2N6O3 539.423000 |
YAORRZXEAIDLOS-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236453; PubChem:CID90016374
|
Local ready
Direct docking supported
|
|
E3L011404
BDB011404
|
BDBM236454
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(C#N)cc1)N(c1cc(Cl)cnc1OC)C2=O
|
C29H28ClN7O3 558.042000 |
SERCQBDCEWXGLC-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236454; PubChem:CID86703230
|
Local ready
Direct docking supported
|
|
E3L011405
BDB011405
|
BDBM236455
COc1cn(C)c(=O)cc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1c(F)c(C)nn1C)C2=O
|
C27H27ClFN5O3 523.996000 |
IRSAKFSRXXYXGB-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236455; PubChem:CID90015529
|
Local ready
Direct docking supported
|
|
E3L011406
BDB011406
|
BDBM236456
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1c(F)c(C)nn1C)C2=O
|
C27H29ClFN7O2 538.027000 |
KHDQYDXGQQQGTO-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236456; PubChem:CID90058315
|
Local ready
Direct docking supported
|
|
E3L011407
BDB011407
|
BDBM236457
COc1nc(N)ncc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1c(F)c(C)nn1C)C2=O
|
C25H25ClFN7O2 509.973000 |
AMNGSRKNNMJCAK-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236457; PubChem:CID90016239
|
Local ready
Direct docking supported
|
|
E3L011408
BDB011408
|
BDBM236458
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(C#N)cc2)N(c2c(F)c(C)nn2C)C3=O)c(OC)n1
|
C27H26FN7O3 515.549000 |
QUNXWDFSYHBUTD-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236458; PubChem:CID86703232
|
Local ready
Direct docking supported
|
|
E3L011409
BDB011409
|
BDBM236459
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1F)N(c1cc(C)nn1C)C2=O
|
C27H29ClFN7O2 538.027000 |
YOVBMDGCLOZVGS-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236459; PubChem:CID86703234
|
Local ready
Direct docking supported
|
|
E3L011410
BDB011410
|
BDBM236460
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(Cl)cn2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1
|
C26H24Cl2N6O4 555.422000 |
DNCDUYWFCAADAX-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB
BindingDB:BDBM236460
|
Local ready
Direct docking supported
|
|
E3L011411
BDB011411
|
BDBM236461
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(Cl)cn2)N(c2ccc(F)c(Cl)c2)C3=O)c(OC)n1
|
C26H22Cl2FN5O3 542.398000 |
WDEVSGDQMMXJMI-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236461; PubChem:CID86703237
|
Local ready
Direct docking supported
|
|
E3L011412
BDB011412
|
BDBM236462
COc1ncc(-c2cc3c(n2C(C)C)[C@H](c2ccc(C#N)cc2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1
|
C28H25ClN6O4 544.999000 |
BTRWWPFRLVLFAI-QHCPKHFHSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236462; PubChem:CID90015599
|
Local ready
Direct docking supported
|
|
E3L011413
BDB011413
|
BDBM236463
COc1ncc(-c2cc3c(n2C(C)C)[C@@H](c2ccc(C#N)cc2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1
|
C28H25ClN6O4 544.999000 |
BTRWWPFRLVLFAI-HSZRJFAPSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236463; PubChem:CID90016128
|
Local ready
Direct docking supported
|
|
E3L011414
BDB011414
|
BDBM236464
CCOC(=O)c1c2c(n(C(C)C)c1-c1cnc(OC)nc1OC)C(c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O
|
C30H29Cl2N5O6 626.497000 |
NOEHJSJYFPPOPM-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB
BindingDB:BDBM236464
|
Local ready
Direct docking supported
|
|
E3L011415
BDB011415
|
BDBM236465
COc1ncc(-c2c(C(=O)O)c3c(n2C(C)C)C(c2ccc(Cl)cc2)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c(OC)n1
|
C28H25Cl2N5O6 598.443000 |
JWGZWGSFNVRFOS-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB
BindingDB:BDBM236465
|
Local ready
Direct docking supported
|
|
E3L011416
BDB011416
|
BDBM236466
COC[C@@H](C)n1c(-c2cnc(OC)nc2OC)cc2c1C(c1ccc(C#N)cc1)N(c1ccc(F)c(Cl)c1)C2=O
|
C29H25ClFN5O4 562.001000 |
GNPSZQKPOCDORY-ZRTDVJLTSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236466; PubChem:CID90015422
|
Local ready
Direct docking supported
|
|
E3L011417
BDB011417
|
BDBM236467
COC[C@@H](C)n1c(-c2cnc(N)nc2OC)cc2c1C(c1ccc(C#N)cc1)N(c1ccc(F)c(Cl)c1)C2=O
|
C28H24ClFN6O3 546.990000 |
ARRJAQAFHZEGOV-GZAIGYLVSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236467; PubChem:CID90058318
|
Local ready
Direct docking supported
|
|
E3L011418
BDB011418
|
BDBM236468
COC[C@@H](C)n1c(-c2cnc(N)nc2OC)cc2c1C(c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O
|
C27H24Cl2FN5O3 556.425000 |
FGPTWTSRUGMJDE-PDNQZYNLSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236468; PubChem:CID90058496
|
Local ready
Direct docking supported
|
|
E3L011419
BDB011419
|
BDBM236469
COC[C@@H](C)n1c(-c2cnc(OC)nc2OC)cc2c1C(c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O
|
C28H27Cl2N5O5 584.460000 |
TXDFWLNVHGGETB-NKTHEXPSSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236469; PubChem:CID90058473
|
Local ready
Direct docking supported
|
|
E3L011420
BDB011420
|
BDBM236470
COc1nc(N(C)C)ncc1-c1c(C(=O)O)c2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O
|
C29H28Cl2N6O5 611.486000 |
QFLQQPWYSVBNNV-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB
BindingDB:BDBM236470
|
Local ready
Direct docking supported
|