| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L040401
BDB040401
|
BDBM761056
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc2cnncc2c1
|
C24H22Cl2N4O3 485.371000 |
CYZFHSTVCJHGBI-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761056; PubChem:CID176157507
|
Local ready
Direct docking supported
|
|
E3L040402
BDB040402
|
BDBM761057
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cc(F)c(S(N)(=O)=O)c(F)c1
|
C22H21Cl2F2N3O5S 548.395000 |
ZDOQAZBQVILACU-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761057; PubChem:CID176157277
|
Local ready
Direct docking supported
|
|
E3L040403
BDB040403
|
BDBM761058
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccccc1
|
C22H22Cl2N2O3 433.335000 |
ORSXJYOMHDWJLE-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761058; PubChem:CID176157359
|
Local ready
Direct docking supported
|
|
E3L040404
BDB040404
|
BDBM761059
CC1(C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)COc2ccccc2C1
|
C23H22Cl2N2O4 461.345000 |
BYXJFACXCZXRIK-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761059; PubChem:CID176157504
|
Local ready
Direct docking supported
|
|
E3L040405
BDB040405
|
BDBM761060
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc(S(N)(=O)=O)c(F)c1
|
C22H22Cl2FN3O5S 530.405000 |
YERAPGJVZWMCOJ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761060; PubChem:CID176157427
|
Local ready
Direct docking supported
|
|
E3L040406
BDB040406
|
BDBM761062
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc2c(c1)CNS2(=O)=O
|
C23H23Cl2N3O5S 524.426000 |
OFRPKIVGXMZEMV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761062; PubChem:CID176846889
|
Local ready
Direct docking supported
|
|
E3L040407
BDB040407
|
BDBM761063
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc2nnccc2c1
|
C24H22Cl2N4O3 485.371000 |
XMZNPHVPWCZUTA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761063; PubChem:CID176846755
|
Local ready
Direct docking supported
|
|
E3L040408
BDB040408
|
BDBM761064
Cc1cc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)cc(=O)[nH]1
|
C22H23Cl2N3O4 464.349000 |
HQFXDIOKNIIIHY-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761064; PubChem:CID176157217
|
Local ready
Direct docking supported
|
|
E3L040409
BDB040409
|
BDBM761065
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc(S(N)(=O)=O)cc1F
|
C22H22Cl2FN3O5S 530.405000 |
LUWGIVMQDKFWDP-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761065; PubChem:CID176157642
|
Local ready
Direct docking supported
|
|
E3L040410
BDB040410
|
BDBM761066
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccn2cnnc2c1
|
C22H21Cl2N5O3 474.348000 |
LJCARCAFJHZXLB-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761066; PubChem:CID176157416
|
Local ready
Direct docking supported
|
|
E3L040411
BDB040411
|
BDBM761067
CCn1ccc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)cc1=O
|
C23H25Cl2N3O4 478.376000 |
WSPRHPHRUAUMEV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761067; PubChem:CID176846777
|
Local ready
Direct docking supported
|
|
E3L040412
BDB040412
|
BDBM761068
COc1nccc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)n1
|
C21H22Cl2N4O4 465.337000 |
BQPDZWNNJSNWNW-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761068; PubChem:CID176846751
|
Local ready
Direct docking supported
|
|
E3L040413
BDB040413
|
BDBM761069
CC1(C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)COc2ccccc2O1
|
C22H20Cl2N2O5 463.317000 |
RYRKPUSRDNSYSW-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761069; PubChem:CID176157473
|
Local ready
Direct docking supported
|
|
E3L040414
BDB040414
|
BDBM761070
CN1Cc2ccccc2CC1C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1
|
C23H23Cl2N3O3 460.361000 |
CEABMXUAQKDNLR-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761070; PubChem:CID176157465
|
Local ready
Direct docking supported
|
|
E3L040415
BDB040415
|
BDBM761071
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc2nccnc2c1
|
C24H22Cl2N4O3 485.371000 |
VKPITJVJMVIQAZ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761071; PubChem:CID176846815
|
Local ready
Direct docking supported
|
|
E3L040416
BDB040416
|
BDBM761072
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc(NS(C)(=O)=O)cc1
|
C23H25Cl2N3O5S 526.442000 |
RUMUWPJUHZSNPT-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761072; PubChem:CID176157512
|
Local ready
Direct docking supported
|
|
E3L040417
BDB040417
|
BDBM761073
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc(C(N)=O)cc1F
|
C23H22Cl2FN3O4 494.350000 |
VVIBUETZPIWFJO-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761073; PubChem:CID176157421
|
Local ready
Direct docking supported
|
|
E3L040418
BDB040418
|
BDBM761074
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cnc2ncsc2c1
|
C22H20Cl2N4O3S 491.400000 |
USGXFRRWJSNMCA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761074; PubChem:CID176157267
|
Local ready
Direct docking supported
|
|
E3L040419
BDB040419
|
BDBM761075
Cc1cc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)cc(=O)n1C
|
C23H25Cl2N3O4 478.376000 |
CYXYUYLKXGRDAC-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761075; PubChem:CID176846866
|
Local ready
Direct docking supported
|
|
E3L040420
BDB040420
|
BDBM761076
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cccc(NS(C)(=O)=O)c1
|
C23H25Cl2N3O5S 526.442000 |
PHUUHFLSEZBZHX-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761076; PubChem:CID176846827
|
Local ready
Direct docking supported
|