| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L040421
BDB040421
|
BDBM761077
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccn2ccnc2c1
|
C23H22Cl2N4O3 473.360000 |
KJJZXYOOKZIROI-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761077; PubChem:CID176846853
|
Local ready
Direct docking supported
|
|
E3L040422
BDB040422
|
BDBM761078
CC(C)(C(=O)NCc1ccc(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc(S(N)(=O)=O)cc1
|
C22H24ClN3O5S 477.970000 |
FYRCCIJAXWKOAX-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761078; PubChem:CID176157242
|
Local ready
Direct docking supported
|
|
E3L040423
BDB040423
|
BDBM761079
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc(C(N)=O)c(F)c1
|
C23H22Cl2FN3O4 494.350000 |
BUWOLVFNKJBKDM-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761079; PubChem:CID176846790
|
Local ready
Direct docking supported
|
|
E3L040424
BDB040424
|
BDBM761080
CN(C)S(=O)(=O)c1ccc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)cc1
|
C24H27Cl2N3O5S 540.469000 |
RMTNRTUSNXHNPQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761080; PubChem:CID176846862
|
Local ready
Direct docking supported
|
|
E3L040425
BDB040425
|
BDBM761081
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cc(F)[nH]c(=O)c1
|
C21H20Cl2FN3O4 468.312000 |
FKWRQXLZUWXUCW-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761081; PubChem:CID176157164
|
Local ready
Direct docking supported
|
|
E3L040426
BDB040426
|
BDBM761082
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cccc(S(N)(=O)=O)c1
|
C22H23Cl2N3O5S 512.415000 |
YMFAAMMXKJKIBQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761082; PubChem:CID176846770
|
Local ready
Direct docking supported
|
|
E3L040427
BDB040427
|
BDBM761083
CNS(=O)(=O)c1ccc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)cc1
|
C23H25Cl2N3O5S 526.442000 |
ACISLOSOBVNYGG-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761083; PubChem:CID177692443
|
Local ready
Direct docking supported
|
|
E3L040428
BDB040428
|
BDBM761084
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cccc(S(C)(=O)=O)c1
|
C23H24Cl2N2O5S 511.427000 |
CXQWROWOLARGPT-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761084; PubChem:CID176846859
|
Local ready
Direct docking supported
|
|
E3L040429
BDB040429
|
BDBM761085
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccnc2ccccc12
|
C25H23Cl2N3O3 484.383000 |
KTHNGWLAYXXRLG-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761085; PubChem:CID176846901
|
Local ready
Direct docking supported
|
|
E3L040430
BDB040430
|
BDBM761086
CC(C)(C(=O)NCc1ccc(C2CCC(=O)NC2=O)c(Br)c1)c1ccc(F)cc1
|
C22H22BrFN2O3 461.331000 |
JSGAVDYGGYHNTP-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761086; PubChem:CID176157414
|
Local ready
Direct docking supported
|
|
E3L040431
BDB040431
|
BDBM761087
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cccc(C(N)=O)c1
|
C23H23Cl2N3O4 476.360000 |
ZUMZGCDLPWGWSN-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761087; PubChem:CID176157593
|
Local ready
Direct docking supported
|
|
E3L040432
BDB040432
|
BDBM761088
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc(S(C)(=O)=O)cc1
|
C23H24Cl2N2O5S 511.427000 |
NYIDBPKJSOVKLA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761088; PubChem:CID176846851
|
Local ready
Direct docking supported
|
|
E3L040433
BDB040433
|
BDBM761089
Cn1cc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)ccc1=O
|
C22H23Cl2N3O4 464.349000 |
YAWAOVVKMNWERA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761089; PubChem:CID176157206
|
Local ready
Direct docking supported
|
|
E3L040434
BDB040434
|
BDBM761090
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1c(F)cncc1F
|
C21H19Cl2F2N3O3 470.303000 |
DFNLQGLNJDRMFY-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761090; PubChem:CID176157415
|
Local ready
Direct docking supported
|
|
E3L040435
BDB040435
|
BDBM761091
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc2[nH]cnc2c1
|
C23H22Cl2N4O3 473.360000 |
DRVMZUSFPTUCRA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761091; PubChem:CID176157677
|
Local ready
Direct docking supported
|
|
E3L040436
BDB040436
|
BDBM761092
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc2[nH]ncc2c1
|
C23H22Cl2N4O3 473.360000 |
XVNYDKZECSDMID-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761092; PubChem:CID176157459
|
Local ready
Direct docking supported
|
|
E3L040437
BDB040437
|
BDBM761093
CN(C)c1ccc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)cc1
|
C24H27Cl2N3O3 476.404000 |
BULLJONGRKAJJO-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761093; PubChem:CID176157214
|
Local ready
Direct docking supported
|
|
E3L040438
BDB040438
|
BDBM761094
Cn1c(=O)[nH]c2cc(C(C)(C)C(=O)NCc3cc(Cl)c(C4CCC(=O)NC4=O)c(Cl)c3)ccc21
|
C24H24Cl2N4O4 503.386000 |
AYRKPCFFSBDIFB-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761094; PubChem:CID176846897
|
Local ready
Direct docking supported
|
|
E3L040439
BDB040439
|
BDBM761095
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cc(F)nc(F)c1
|
C21H19Cl2F2N3O3 470.303000 |
JEOMCMDLJTZWMA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761095; PubChem:CID176846792
|
Local ready
Direct docking supported
|
|
E3L040440
BDB040440
|
BDBM761096
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc2ncsc2c1
|
C23H21Cl2N3O3S 490.412000 |
HJUURZMTOYGOOA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761096; PubChem:CID176846767
|
Local ready
Direct docking supported
|