| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L040381
BDB040381
|
BDBM761036
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc(C#N)cn1
|
C22H20Cl2N4O3 459.333000 |
PVEHXAQAIYDJJJ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761036; PubChem:CID176157384
|
Local ready
Direct docking supported
|
|
E3L040382
BDB040382
|
BDBM761037
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ncc(C#N)cn1
|
C21H19Cl2N5O3 460.321000 |
ATFQMOZOKYTVBD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761037; PubChem:CID176157188
|
Local ready
Direct docking supported
|
|
E3L040383
BDB040383
|
BDBM761038
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc2ocnc2c1
|
C23H21Cl2N3O4 474.344000 |
ZPYCVINRBGVQKD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761038; PubChem:CID176846850
|
Local ready
Direct docking supported
|
|
E3L040384
BDB040384
|
BDBM761039
CC(C)(C(=O)NCc1ccc(C2CCC(=O)NC2=O)c(Cl)c1)c1cccc(C#N)c1
|
C23H22ClN3O3 423.900000 |
LNLYMTINMPACNQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761039; PubChem:CID176846852
|
Local ready
Direct docking supported
|
|
E3L040385
BDB040385
|
BDBM761040
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccncn1
|
C20H20Cl2N4O3 435.311000 |
LFHAKSJQNREHIO-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761040; PubChem:CID176157351
|
Local ready
Direct docking supported
|
|
E3L040386
BDB040386
|
BDBM761041
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccccn1
|
C21H21Cl2N3O3 434.323000 |
BBBHOQLVVNWONX-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761041; PubChem:CID176846813
|
Local ready
Direct docking supported
|
|
E3L040387
BDB040387
|
BDBM761042
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cccc(C#N)c1
|
C23H21Cl2N3O3 458.345000 |
HJHBSMFWYVQLRW-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761042; PubChem:CID176157238
|
Local ready
Direct docking supported
|
|
E3L040388
BDB040388
|
BDBM761043
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc(F)cn1
|
C21H20Cl2FN3O3 452.313000 |
VBXHSHIIRPYQGO-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761043; PubChem:CID176846916
|
Local ready
Direct docking supported
|
|
E3L040389
BDB040389
|
BDBM761044
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccn(CC(F)(F)F)c(=O)c1
|
C23H22Cl2F3N3O4 532.346000 |
FVDYFZPAAKLCAM-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761044; PubChem:CID176846826
|
Local ready
Direct docking supported
|
|
E3L040390
BDB040390
|
BDBM761045
CC(C)(C(=O)NCc1ccc(C2CCC(=O)NC2=O)c(Cl)c1)c1ccccc1F
|
C22H22ClFN2O3 416.880000 |
NLLHQRMLIQLMKY-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761045; PubChem:CID176846803
|
Local ready
Direct docking supported
|
|
E3L040391
BDB040391
|
BDBM761046
CC(C)(C(=O)NCc1ccc(C2CCC(=O)NC2=O)c(Cl)c1)c1cccc(F)c1
|
C22H22ClFN2O3 416.880000 |
JRWMOQOQHANJKZ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761046; PubChem:CID176157567
|
Local ready
Direct docking supported
|
|
E3L040392
BDB040392
|
BDBM761047
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccccc1F
|
C22H21Cl2FN2O3 451.325000 |
SKDOFKWFDUADCB-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761047; PubChem:CID176846917
|
Local ready
Direct docking supported
|
|
E3L040393
BDB040393
|
BDBM761048
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cccc(F)c1
|
C22H21Cl2FN2O3 451.325000 |
OUEBZOKVIJYBPV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761048; PubChem:CID176846818
|
Local ready
Direct docking supported
|
|
E3L040394
BDB040394
|
BDBM761049
CC(C)(C(=O)NCc1ccc(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc(C#N)cc1
|
C23H22ClN3O3 423.900000 |
SBUCEWIGXAVKGY-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761049; PubChem:CID176846887
|
Local ready
Direct docking supported
|
|
E3L040395
BDB040395
|
BDBM761050
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc(C#N)cc1
|
C23H21Cl2N3O3 458.345000 |
UJRXCRNTGOKAAV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761050; PubChem:CID176846912
|
Local ready
Direct docking supported
|
|
E3L040396
BDB040396
|
BDBM761051
CC(C)(C(=O)NCc1ccc(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc(F)cc1
|
C22H22ClFN2O3 416.880000 |
LQENJPPLBXDKLH-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761051; PubChem:CID176846804
|
Local ready
Direct docking supported
|
|
E3L040397
BDB040397
|
BDBM761052
CC(C)(C(=O)NCc1cc(F)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccccc1
|
C22H22ClFN2O3 416.880000 |
ZHNOTSODUZRHHZ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761052; PubChem:CID176846906
|
Local ready
Direct docking supported
|
|
E3L040398
BDB040398
|
BDBM761053
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc2c(c1)S(=O)(=O)NC2
|
C23H23Cl2N3O5S 524.426000 |
OGCSWJACGBBFKI-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761053; PubChem:CID176157494
|
Local ready
Direct docking supported
|
|
E3L040399
BDB040399
|
BDBM761054
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc2ncncc2c1
|
C24H22Cl2N4O3 485.371000 |
VRWLSOAFKIOFPN-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761054; PubChem:CID176846910
|
Local ready
Direct docking supported
|
|
E3L040400
BDB040400
|
BDBM761055
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ncccn1
|
C20H20Cl2N4O3 435.311000 |
ZBNWNWNETJCIJF-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761055; PubChem:CID176157171
|
Local ready
Direct docking supported
|