| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L011281
BDB011281
|
BDBM236331
COc1cnc(CC(=O)O)cc1-c1cc2c(n1C(C)C)C(c1ccc(C#N)cc1)N(c1cccc(Cl)c1F)C2=O
|
C30H24ClFN4O4 558.997000 |
RUVPTRXOQQUJIP-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236331; PubChem:CID86703174
|
Local ready
Direct docking supported
|
|
E3L011282
BDB011282
|
BDBM236332
CNC(=O)Cc1cnc(OC)c(-c2cc3c(n2C(C)C)C(c2ccc(C#N)cc2)N(c2cccc(Cl)c2F)C3=O)c1
|
C31H27ClFN5O3 572.040000 |
ZVKVJRYUHUKSFD-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236332; PubChem:CID86703176
|
Local ready
Direct docking supported
|
|
E3L011283
BDB011283
|
BDBM236333
CNC(=O)Cc1cc(-c2cc3c(n2C(C)C)C(c2ccc(C#N)cc2)N(c2cccc(Cl)c2F)C3=O)c(OC)cn1
|
C31H27ClFN5O3 572.040000 |
KCTRKWJYYSKEQI-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236333; PubChem:CID90016517
|
Local ready
Direct docking supported
|
|
E3L011284
BDB011284
|
BDBM236334
COc1cnc(CC#N)cc1-c1cc2c(n1C(C)C)C(c1ccc(C#N)cc1)N(c1cccc(Cl)c1F)C2=O
|
C30H23ClFN5O2 539.998000 |
RWYNHMVMXJDBQA-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236334; PubChem:CID90058450
|
Local ready
Direct docking supported
|
|
E3L011285
BDB011285
|
BDBM236335
COc1ncc(CC#N)cc1-c1cc2c(n1C(C)C)C(c1ccc(C#N)cc1)N(c1cccc(Cl)c1F)C2=O
|
C30H23ClFN5O2 539.998000 |
FIEMMYXPWCYUGL-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236335; PubChem:CID90058493
|
Local ready
Direct docking supported
|
|
E3L011286
BDB011286
|
BDBM236336
COc1ccc(C(=O)O)cc1-c1cc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O
|
C30H26Cl2N2O4 549.454000 |
ILWFBBGNMHVGNM-MHZLTWQESA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236336; PubChem:CID90015752
|
Local ready
Direct docking supported
|
|
E3L011287
BDB011287
|
BDBM236337
COc1ccc(C(=O)O)cc1-c1cc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O
|
C30H26Cl2N2O4 549.454000 |
ILWFBBGNMHVGNM-HHHXNRCGSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236337; PubChem:CID90058248
|
Local ready
Direct docking supported
|
|
E3L011288
BDB011288
|
BDBM236338
COc1ccc(CC(=O)O)cc1-c1cc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O
|
C31H28Cl2N2O4 563.481000 |
NBVBMZRUNBAPLX-LJAQVGFWSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236338; PubChem:CID72192166
|
Local ready
Direct docking supported
|
|
E3L011289
BDB011289
|
BDBM236339
COc1ccc(CC(=O)O)cc1-c1cc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O
|
C31H28Cl2N2O4 563.481000 |
NBVBMZRUNBAPLX-GDLZYMKVSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236339; PubChem:CID90058438
|
Local ready
Direct docking supported
|
|
E3L011290
BDB011290
|
BDBM236340
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(C#N)cc1)N(c1ccc(F)c(Cl)c1)C2=O
|
C29H26ClFN6O2 545.018000 |
HHNKSOUSJFWEBC-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236340; PubChem:CID90015567
|
Local ready
Direct docking supported
|
|
E3L011291
BDB011291
|
BDBM236341
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(C#N)cc1)N(c1cccc(Cl)c1F)C2=O
|
C29H26ClFN6O2 545.018000 |
KXABOROGFCXRCU-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236341; PubChem:CID90033291
|
Local ready
Direct docking supported
|
|
E3L011292
BDB011292
|
BDBM236342
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(C#N)cc1)N(c1cc(Cl)ccc1C)C2=O
|
C30H29ClN6O2 541.055000 |
FGIAKPPKBAIONU-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236342; PubChem:CID90058290
|
Local ready
Direct docking supported
|
|
E3L011293
BDB011293
|
BDBM236343
COc1ccccc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C#N)C2=O
|
C29H23Cl2N3O2 516.428000 |
BMYHCCBUUIQXSX-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236343; PubChem:CID86703178
|
Local ready
Direct docking supported
|
|
E3L011294
BDB011294
|
BDBM236344
CNC(=O)c1ccc(OC)c(-c2cc3c(n2C(C)C)C(c2ccc(Cl)cc2)N(c2cc(Cl)ccc2C#N)C3=O)c1
|
C31H26Cl2N4O3 573.480000 |
ROQOHOOZYYGUFU-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236344; PubChem:CID90058435
|
Local ready
Direct docking supported
|
|
E3L011295
BDB011295
|
BDBM236345
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(Cl)cc2)N(c2cc(Cl)ccc2C#N)C3=O)c(OC)n1
|
C28H23Cl2N5O3 548.430000 |
AKWZPUSKVCENQN-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236345; PubChem:CID90015689
|
Local ready
Direct docking supported
|
|
E3L011296
BDB011296
|
BDBM236346
COc1nc(N)ncc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C#N)C2=O
|
C27H22Cl2N6O2 533.419000 |
AKRDHGGMTLKLII-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236346; PubChem:CID90015537
|
Local ready
Direct docking supported
|
|
E3L011297
BDB011297
|
BDBM236347
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C#N)C2=O
|
C29H26Cl2N6O2 561.473000 |
KEWDJHXGSOLCJT-UHFFFAOYSA-N | Q00987 | Cellular tumor antigen p53 |
BindingDB, PubChem
BindingDB:BDBM236347; PubChem:CID90058386
|
Local ready
Direct docking supported
|
|
E3L011298
BDB011298
|
BDBM236348
COc1ccccc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1C)N([C@H]1CC[C@H](O)CC1)C2=O
|
C29H33ClN2O3 493.047000 |
BLEVOLXKWGTFKI-DDLDZWDOSA-N | O15151, Q00987 | Cellular tumor antigen p53 |
BindingDB
BindingDB:BDBM236348
|
Local ready
Direct docking supported
|
|
E3L011299
BDB011299
|
BDBM236349
CNC(=O)c1ccc(OC)c(-c2cc3c(n2C(C)C)C(c2ccc(Cl)cc2C)N([C@H]2CC[C@H](O)CC2)C3=O)c1
|
C31H36ClN3O4 550.099000 |
KZQDLPAJTPPTAM-TUNMPCEVSA-N | O15151, Q00987 | Cellular tumor antigen p53 |
BindingDB
BindingDB:BDBM236349
|
Local ready
Direct docking supported
|
|
E3L011300
BDB011300
|
BDBM236350
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(Cl)cc2C)N([C@H]2CC[C@H](O)CC2)C3=O)c(OC)n1
|
C28H33ClN4O4 525.049000 |
ILSLYVZMHVQJSJ-MEQCVUQCSA-N | O15151, Q00987 | Cellular tumor antigen p53 |
BindingDB
BindingDB:BDBM236350
|
Local ready
Direct docking supported
|