| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L040441
BDB040441
|
BDBM761097
Cn1ccc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)cc1=O
|
C22H23Cl2N3O4 464.349000 |
OQORALDBUNPAQO-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761097; PubChem:CID176846768
|
Local ready
Direct docking supported
|
|
E3L040442
BDB040442
|
BDBM761098
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc(S(N)(=O)=O)cc1
|
C22H23Cl2N3O5S 512.415000 |
YDKDFZVFRNEKSR-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761098; PubChem:CID176846869
|
Local ready
Direct docking supported
|
|
E3L040443
BDB040443
|
BDBM761099
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc2[nH]c(=O)oc2c1
|
C23H21Cl2N3O5 490.343000 |
CHFFTHGKBOSQJQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761099; PubChem:CID177692444
|
Local ready
Direct docking supported
|
|
E3L040444
BDB040444
|
BDBM761100
Cn1ncc2ccc(C(C)(C)C(=O)NCc3cc(Cl)c(C4CCC(=O)NC4=O)c(Cl)c3)cc21
|
C24H24Cl2N4O3 487.387000 |
NKAJQMVNXXCDNB-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761100; PubChem:CID176846832
|
Local ready
Direct docking supported
|
|
E3L040445
BDB040445
|
BDBM761101
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc(=O)[nH]c1
|
C21H21Cl2N3O4 450.322000 |
DMOSBSDLUZDIGR-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761101; PubChem:CID176157419
|
Local ready
Direct docking supported
|
|
E3L040446
BDB040446
|
BDBM761102
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc(O)c(F)c1
|
C22H21Cl2FN2O4 467.324000 |
LKQIEXRBJFHIEI-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761102; PubChem:CID176157497
|
Local ready
Direct docking supported
|
|
E3L040447
BDB040447
|
BDBM761103
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc2nonc2c1
|
C22H20Cl2N4O4 475.332000 |
VMMXZNSCIXZGHQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761103; PubChem:CID176846893
|
Local ready
Direct docking supported
|
|
E3L040448
BDB040448
|
BDBM761104
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccn2nccc2c1
|
C23H22Cl2N4O3 473.360000 |
YOEBITOSISUCFU-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761104; PubChem:CID176846774
|
Local ready
Direct docking supported
|
|
E3L040449
BDB040449
|
BDBM761105
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc(C(N)=O)cc1
|
C23H23Cl2N3O4 476.360000 |
MHXOAHHZXMZJAK-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761105; PubChem:CID176846749
|
Local ready
Direct docking supported
|
|
E3L040450
BDB040450
|
BDBM761106
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cc[nH]c(=O)c1
|
C21H21Cl2N3O4 450.322000 |
LCCOIILOHUMEAJ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761106; PubChem:CID176846934
|
Local ready
Direct docking supported
|
|
E3L040451
BDB040451
|
BDBM761107
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cncc(F)c1
|
C21H20Cl2FN3O3 452.313000 |
TWRPULQPOBYMFA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761107; PubChem:CID176846834
|
Local ready
Direct docking supported
|
|
E3L040452
BDB040452
|
BDBM761108
Cc1cc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)cc(C)n1
|
C23H25Cl2N3O3 462.377000 |
WLYLFYNKBBHQSD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761108; PubChem:CID176846776
|
Local ready
Direct docking supported
|
|
E3L040453
BDB040453
|
BDBM761109
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc2occc2c1
|
C24H22Cl2N2O4 473.356000 |
JZMVHBVYIDVFKN-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761109; PubChem:CID176157487
|
Local ready
Direct docking supported
|
|
E3L040454
BDB040454
|
BDBM761110
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccncc1F
|
C21H20Cl2FN3O3 452.313000 |
HMDTZLFNLSLDQA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761110; PubChem:CID176846907
|
Local ready
Direct docking supported
|
|
E3L040455
BDB040455
|
BDBM761111
Cc1ccc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)nc1
|
C22H23Cl2N3O3 448.350000 |
GEHYTWMVFVXIQJ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761111; PubChem:CID176157471
|
Local ready
Direct docking supported
|
|
E3L040456
BDB040456
|
BDBM761112
Cn1ccc2cc(C(C)(C)C(=O)NCc3cc(Cl)c(C4CCC(=O)NC4=O)c(Cl)c3)ccc21
|
C25H25Cl2N3O3 486.399000 |
NJYNMWPLCFINIA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761112; PubChem:CID176157406
|
Local ready
Direct docking supported
|
|
E3L040457
BDB040457
|
BDBM761113
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc2[nH]ccc2c1
|
C24H23Cl2N3O3 472.372000 |
FXNZACGMCYMMOF-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761113; PubChem:CID176157335
|
Local ready
Direct docking supported
|
|
E3L040458
BDB040458
|
BDBM761114
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccnc(C#N)c1
|
C22H20Cl2N4O3 459.333000 |
XTNPOTYMURRFKC-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761114; PubChem:CID176846820
|
Local ready
Direct docking supported
|
|
E3L040459
BDB040459
|
BDBM761115
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccnc(F)c1
|
C21H20Cl2FN3O3 452.313000 |
PBLXEHWJISMTCC-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761115; PubChem:CID176846830
|
Local ready
Direct docking supported
|
|
E3L040460
BDB040460
|
BDBM761116
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1c(F)cccc1F
|
C22H20Cl2F2N2O3 469.315000 |
FNQTYOINXWZKCS-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761116; PubChem:CID176157292
|
Local ready
Direct docking supported
|