| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L040541
BDB040541
|
BDBM761198
COc1cnc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)nc1
|
C21H22Cl2N4O4 465.337000 |
NNCFOHWPBAQZLO-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761198; PubChem:CID176846854
|
Local ready
Direct docking supported
|
|
E3L040542
BDB040542
|
BDBM761199
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cc2cccnc2cn1
|
C24H22Cl2N4O3 485.371000 |
IKCQYAKOKVYAOK-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761199; PubChem:CID176846895
|
Local ready
Direct docking supported
|
|
E3L040543
BDB040543
|
BDBM761200
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc(C(F)(F)F)nn1
|
C21H19Cl2F3N4O3 503.308000 |
DBRVIEROEBDZDN-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761200; PubChem:CID176846867
|
Local ready
Direct docking supported
|
|
E3L040544
BDB040544
|
BDBM761201
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc(C2CC2)nn1
|
C23H24Cl2N4O3 475.376000 |
QNNGFOKAAJMETQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761201; PubChem:CID176157396
|
Local ready
Direct docking supported
|
|
E3L040545
BDB040545
|
BDBM761202
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1nc(C2CC2)co1
|
C22H23Cl2N3O4 464.349000 |
NVICUXQBVSUNNK-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761202; PubChem:CID176846871
|
Local ready
Direct docking supported
|
|
E3L040546
BDB040546
|
BDBM761203
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ncc(Cl)cn1
|
C20H19Cl3N4O3 469.756000 |
XDHVFOAMTMDDFY-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761203; PubChem:CID176846872
|
Local ready
Direct docking supported
|
|
E3L040547
BDB040547
|
BDBM761204
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ncc(CC(F)(F)F)cn1
|
C22H21Cl2F3N4O3 517.335000 |
NBFDEVDFGCLHFB-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761204; PubChem:CID176157543
|
Local ready
Direct docking supported
|
|
E3L040548
BDB040548
|
BDBM761205
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cnc(C(F)F)cn1
|
C21H20Cl2F2N4O3 485.318000 |
ZSABAGBEJHLHTQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761205; PubChem:CID176157318
|
Local ready
Direct docking supported
|
|
E3L040549
BDB040549
|
BDBM761206
Cc1coc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)n1
|
C20H21Cl2N3O4 438.311000 |
NGADQZOHDRCZOI-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761206; PubChem:CID176846902
|
Local ready
Direct docking supported
|
|
E3L040550
BDB040550
|
BDBM761207
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1nocc1C1CC1
|
C22H23Cl2N3O4 464.349000 |
NXPHJOKCENUMEN-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761207; PubChem:CID176157619
|
Local ready
Direct docking supported
|
|
E3L040551
BDB040551
|
BDBM761208
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ncoc1C(F)(F)F
|
C20H18Cl2F3N3O4 492.281000 |
ZXZITBGWTDBWBC-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761208; PubChem:CID176846809
|
Local ready
Direct docking supported
|
|
E3L040552
BDB040552
|
BDBM761209
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1nnc(C(F)F)o1
|
C19H18Cl2F2N4O4 475.279000 |
VVBZEERWNVWNQC-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761209; PubChem:CID176157209
|
Local ready
Direct docking supported
|
|
E3L040553
BDB040553
|
BDBM761210
Cc1conc1C(C)(C)C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1
|
C20H21Cl2N3O4 438.311000 |
KWWMGUPXHMTGRY-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761210; PubChem:CID176846844
|
Local ready
Direct docking supported
|
|
E3L040554
BDB040554
|
BDBM761211
CC(F)(F)c1ccc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)nn1
|
C22H22Cl2F2N4O3 499.345000 |
GYMNMJNOTMNRRP-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761211; PubChem:CID176846855
|
Local ready
Direct docking supported
|
|
E3L040555
BDB040555
|
BDBM761212
CC(C)(O)c1ccc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)nn1
|
C23H26Cl2N4O4 493.391000 |
LIQIMGFHQRFGDZ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761212; PubChem:CID176157273
|
Local ready
Direct docking supported
|
|
E3L040556
BDB040556
|
BDBM761213
COc1ccc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)nn1
|
C21H22Cl2N4O4 465.337000 |
QGWHCOOTZKYKBQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761213; PubChem:CID176157352
|
Local ready
Direct docking supported
|
|
E3L040557
BDB040557
|
BDBM761214
Cc1ccc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)cn1
|
C22H23Cl2N3O3 448.350000 |
WECFCNYFPUWHSE-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761214; PubChem:CID176846793
|
Local ready
Direct docking supported
|
|
E3L040558
BDB040558
|
BDBM761215
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cnc(CO)cn1
|
C21H22Cl2N4O4 465.337000 |
AQPBINFKLVFVPZ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761215; PubChem:CID176157422
|
Local ready
Direct docking supported
|
|
E3L040559
BDB040559
|
BDBM761216
CC1(c2cnc(C(C)(C)C(=O)NCc3cc(Cl)c(C4CCC(=O)NC4=O)c(Cl)c3)nc2)CC1
|
C24H26Cl2N4O3 489.403000 |
OPLMDIRUQACVOJ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761216; PubChem:CID176157483
|
Local ready
Direct docking supported
|
|
E3L040560
BDB040560
|
BDBM761217
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1nnc(C(F)(F)F)o1
|
C19H17Cl2F3N4O4 493.269000 |
QXNRYJKONLQBGG-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761217; PubChem:CID176157178
|
Local ready
Direct docking supported
|