| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L040561
BDB040561
|
BDBM761218
COc1cnc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)cn1
|
C21H22Cl2N4O4 465.337000 |
IKJLLFXZIYRKOD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761218; PubChem:CID176846841
|
Local ready
Direct docking supported
|
|
E3L040562
BDB040562
|
BDBM761219
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc(OC(F)F)nn1
|
C21H20Cl2F2N4O4 501.317000 |
FPGUQRZAMJVHAS-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761219; PubChem:CID176846904
|
Local ready
Direct docking supported
|
|
E3L040563
BDB040563
|
BDBM761220
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)C1CCCCC1
|
C22H28Cl2N2O3 439.383000 |
LHUHCULXXDBDRU-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761220; PubChem:CID176157571
|
Local ready
Direct docking supported
|
|
E3L040564
BDB040564
|
BDBM761221
Cc1nc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)oc1C
|
C21H23Cl2N3O4 452.338000 |
RFBOBUMXVOCOCC-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761221; PubChem:CID176157557
|
Local ready
Direct docking supported
|
|
E3L040565
BDB040565
|
BDBM761222
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)C1CCCC1
|
C21H26Cl2N2O3 425.356000 |
PMGYOMYHAANMAG-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761222; PubChem:CID176157213
|
Local ready
Direct docking supported
|
|
E3L040566
BDB040566
|
BDBM761223
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1nccc(CO)n1
|
C21H22Cl2N4O4 465.337000 |
PMPTVDHUFLAMGV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761223; PubChem:CID176157591
|
Local ready
Direct docking supported
|
|
E3L040567
BDB040567
|
BDBM761224
COc1nc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)ncc1C
|
C22H24Cl2N4O4 479.364000 |
LXBSOAFKADBRME-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761224; PubChem:CID176157476
|
Local ready
Direct docking supported
|
|
E3L040568
BDB040568
|
BDBM761225
COCc1ccnc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)n1
|
C22H24Cl2N4O4 479.364000 |
FWUDHVXTQZMUEY-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761225; PubChem:CID176157284
|
Local ready
Direct docking supported
|
|
E3L040569
BDB040569
|
BDBM761226
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1nc(C2CC2)no1
|
C21H22Cl2N4O4 465.337000 |
WQACQWGJXLQENH-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761226; PubChem:CID176157270
|
Local ready
Direct docking supported
|
|
E3L040570
BDB040570
|
BDBM761227
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1nc(C(F)F)no1
|
C19H18Cl2F2N4O4 475.279000 |
XTACACZEMUIVFV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761227; PubChem:CID176846896
|
Local ready
Direct docking supported
|
|
E3L040571
BDB040571
|
BDBM761228
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1nocc1C(F)(F)F
|
C20H18Cl2F3N3O4 492.281000 |
RGXQDBJVCBAGAW-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761228; PubChem:CID176846828
|
Local ready
Direct docking supported
|
|
E3L040572
BDB040572
|
BDBM761229
COc1cnc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)nc1C
|
C22H24Cl2N4O4 479.364000 |
YECOEYCEQWIZEB-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761229; PubChem:CID176157135
|
Local ready
Direct docking supported
|
|
E3L040573
BDB040573
|
BDBM761230
COCc1cnc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)cn1
|
C22H24Cl2N4O4 479.364000 |
IUROYFYKAQEHFQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761230; PubChem:CID176157514
|
Local ready
Direct docking supported
|
|
E3L040574
BDB040574
|
BDBM761231
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc(OC(F)(F)F)nn1
|
C21H19Cl2F3N4O4 519.307000 |
WFJHGOWRSNNABA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761231; PubChem:CID176157479
|
Local ready
Direct docking supported
|
|
E3L040575
BDB040575
|
BDBM761232
Cc1nnc(C(C)(C)C(=O)NCc2cc(Cl)c([C@@H]3CCC(=O)NC3=O)c(Cl)c2)o1
|
C19H20Cl2N4O4 439.299000 |
IDNYZHGMALYIBL-NSHDSACASA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761232; PubChem:CID176157531
|
Local ready
Direct docking supported
|
|
E3L040576
BDB040576
|
BDBM761233
Cc1nnc(C(C)(C)C(=O)NCc2cc(Cl)c([C@H]3CCC(=O)NC3=O)c(Cl)c2)o1
|
C19H20Cl2N4O4 439.299000 |
IDNYZHGMALYIBL-LLVKDONJSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761233; PubChem:CID176157271
|
Local ready
Direct docking supported
|
|
E3L040577
BDB040577
|
BDBM761234
Cc1nnc(C2(C(=O)NCc3cc(Cl)c(C4CCC(=O)NC4=O)c(Cl)c3)CCC2)o1
|
C20H20Cl2N4O4 451.310000 |
CRDFMOPYLXLCGX-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761234; PubChem:CID176157430
|
Local ready
Direct docking supported
|
|
E3L040578
BDB040578
|
BDBM761235
COc1conc1C(C)(C)C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1
|
C20H21Cl2N3O5 454.310000 |
KIDUIXDGIZUDGK-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761235; PubChem:CID176157264
|
Local ready
Direct docking supported
|
|
E3L040579
BDB040579
|
BDBM761236
COCc1ccc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)nn1
|
C22H24Cl2N4O4 479.364000 |
RAZOYIPOGXILBP-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761236; PubChem:CID176846833
|
Local ready
Direct docking supported
|
|
E3L040580
BDB040580
|
BDBM761237
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ncc(OC(F)(F)F)cn1
|
C21H19Cl2F3N4O4 519.307000 |
BGAWQEZFSXISLE-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761237; PubChem:CID176157588
|
Local ready
Direct docking supported
|