| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L040501
BDB040501
|
BDBM761158
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cc(F)ccn1
|
C21H20Cl2FN3O3 452.313000 |
NTJGIIPNCVGLPW-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761158; PubChem:CID176846817
|
Local ready
Direct docking supported
|
|
E3L040502
BDB040502
|
BDBM761159
Cc1nccc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)n1
|
C21H22Cl2N4O3 449.338000 |
NDOGURFDOPFITN-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761159; PubChem:CID176846762
|
Local ready
Direct docking supported
|
|
E3L040503
BDB040503
|
BDBM761160
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cc(C2CC2)ncn1
|
C23H24Cl2N4O3 475.376000 |
PGCLJSHAIZACAJ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761160; PubChem:CID176846931
|
Local ready
Direct docking supported
|
|
E3L040504
BDB040504
|
BDBM761161
CC(C)(C(=O)NCc1cc(Cl)c([C@@H]2CCC(=O)NC2=O)c(Cl)c1)c1ncc(C#N)cn1
|
C21H19Cl2N5O3 460.321000 |
ATFQMOZOKYTVBD-ZDUSSCGKSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761161; PubChem:CID176157467
|
Local ready
Direct docking supported
|
|
E3L040505
BDB040505
|
BDBM761162
CC(C)(C(=O)NCc1cc(Cl)c([C@H]2CCC(=O)NC2=O)c(Cl)c1)c1ncc(C#N)cn1
|
C21H19Cl2N5O3 460.321000 |
ATFQMOZOKYTVBD-CYBMUJFWSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761162; PubChem:CID176157521
|
Local ready
Direct docking supported
|
|
E3L040506
BDB040506
|
ZU6R8JL39E
Cc1cnc(C(C)(C)C(=O)NCc2cc(Cl)c([C@@H]3CCC(=O)NC3=O)c(Cl)c2)nc1
|
C21H22Cl2N4O3 449.338000 |
VKROEWYACWPSOG-ZDUSSCGKSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761163; PubChem:CID176157346
|
Local ready
Direct docking supported
|
|
E3L040507
BDB040507
|
6TB2C7WB35
Cc1cnc(C(C)(C)C(=O)NCc2cc(Cl)c([C@H]3CCC(=O)NC3=O)c(Cl)c2)nc1
|
C21H22Cl2N4O3 449.338000 |
VKROEWYACWPSOG-CYBMUJFWSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761164; PubChem:CID176157364
|
Local ready
Direct docking supported
|
|
E3L040508
BDB040508
|
BDBM761165
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccnc(C(F)F)n1
|
C21H20Cl2F2N4O3 485.318000 |
ADVDRMMGZWQNGS-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761165; PubChem:CID176157400
|
Local ready
Direct docking supported
|
|
E3L040509
BDB040509
|
BDBM761166
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cc(C#N)ccn1
|
C22H20Cl2N4O3 459.333000 |
KLYCYFJIHSWOOC-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761166; PubChem:CID176846888
|
Local ready
Direct docking supported
|
|
E3L040510
BDB040510
|
BDBM761167
Cc1cncnc1C(C)(C)C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1
|
C21H22Cl2N4O3 449.338000 |
IBGNSHLZYFDQBE-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761167; PubChem:CID176846847
|
Local ready
Direct docking supported
|
|
E3L040511
BDB040511
|
BDBM761168
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cc(C(F)F)ncn1
|
C21H20Cl2F2N4O3 485.318000 |
GCQRUWCRFLYOKA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761168; PubChem:CID176846920
|
Local ready
Direct docking supported
|
|
E3L040512
BDB040512
|
BDBM761169
Cc1ccnc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)n1
|
C21H22Cl2N4O3 449.338000 |
UYGQLGPPWMNRLY-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761169; PubChem:CID176846836
|
Local ready
Direct docking supported
|
|
E3L040513
BDB040513
|
BDBM761170
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cnccn1
|
C20H20Cl2N4O3 435.311000 |
MPHHXRURCPWDLL-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761170; PubChem:CID176846928
|
Local ready
Direct docking supported
|
|
E3L040514
BDB040514
|
BDBM761171
Cc1cnc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)cn1
|
C21H22Cl2N4O3 449.338000 |
HAPORYXYIWEFBG-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761171; PubChem:CID176846821
|
Local ready
Direct docking supported
|
|
E3L040515
BDB040515
|
BDBM761172
Cc1cnc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)o1
|
C20H21Cl2N3O4 438.311000 |
KMXLOGVAVCWPBL-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761172; PubChem:CID176846842
|
Local ready
Direct docking supported
|
|
E3L040516
BDB040516
|
BDBM761173
Cc1noc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)n1
|
C19H20Cl2N4O4 439.299000 |
YTMBUJPYEBQQJD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761173; PubChem:CID176846831
|
Local ready
Direct docking supported
|
|
E3L040517
BDB040517
|
BDBM761174
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ncc(N2CCC2)cn1
|
C23H25Cl2N5O3 490.391000 |
VNFUQJOMCFYJCD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761174; PubChem:CID176846879
|
Local ready
Direct docking supported
|
|
E3L040518
BDB040518
|
BDBM761175
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)N1CCc2ccccc21
|
C24H25Cl2N3O3 474.388000 |
LENQAYDYVVALDC-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761175; PubChem:CID176157161
|
Local ready
Direct docking supported
|
|
E3L040519
BDB040519
|
BDBM761176
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1nc2ccccc2o1
|
C23H21Cl2N3O4 474.344000 |
KCLZFHAAVHJZJP-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761176; PubChem:CID176846811
|
Local ready
Direct docking supported
|
|
E3L040520
BDB040520
|
BDBM761177
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1nccc(C2CC2)n1
|
C23H24Cl2N4O3 475.376000 |
PQJUDGQDUZETPY-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761177; PubChem:CID176846810
|
Local ready
Direct docking supported
|