| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L040521
BDB040521
|
BDBM761178
O=C1CCC(c2c(Cl)cc(CNC(=O)C3(c4ncccn4)CCC3)cc2Cl)C(=O)N1
|
C21H20Cl2N4O3 447.322000 |
YCSUAYWDQMMZRQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761178; PubChem:CID176157536
|
Local ready
Direct docking supported
|
|
E3L040522
BDB040522
|
BDBM761179
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)N1Cc2ccccc2C1
|
C24H25Cl2N3O3 474.388000 |
LDAUCVOYXNUOIV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761179; PubChem:CID176157412
|
Local ready
Direct docking supported
|
|
E3L040523
BDB040523
|
BDBM761180
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cccc2ocnc12
|
C23H21Cl2N3O4 474.344000 |
YNMYCUOQPKFXNJ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761180; PubChem:CID176846870
|
Local ready
Direct docking supported
|
|
E3L040524
BDB040524
|
BDBM761181
Cn1c(F)cc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)cc1=O
|
C22H22Cl2FN3O4 482.339000 |
GTFBYYYXFIORSY-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761181; PubChem:CID176846918
|
Local ready
Direct docking supported
|
|
E3L040525
BDB040525
|
BDBM761182
Cc1cc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)ncn1
|
C21H22Cl2N4O3 449.338000 |
UDOLVZXBUHOEDF-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761182; PubChem:CID176846882
|
Local ready
Direct docking supported
|
|
E3L040526
BDB040526
|
BDBM761183
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1nccc(C(F)(F)F)n1
|
C21H19Cl2F3N4O3 503.308000 |
SLZVFBFXICLOFH-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761183; PubChem:CID176846883
|
Local ready
Direct docking supported
|
|
E3L040527
BDB040527
|
BDBM761184
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ncc(C(F)(F)F)cn1
|
C21H19Cl2F3N4O3 503.308000 |
BNYOVUDTGUQAQW-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761184; PubChem:CID176846921
|
Local ready
Direct docking supported
|
|
E3L040528
BDB040528
|
BDBM761185
Cc1cncc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)n1
|
C21H22Cl2N4O3 449.338000 |
DVTCEWDBFGFAAY-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761185; PubChem:CID176846880
|
Local ready
Direct docking supported
|
|
E3L040529
BDB040529
|
BDBM761186
Cn1ccc(C2(C(=O)NCc3cc(Cl)c(C4CCC(=O)NC4=O)c(Cl)c3)CCC2)cc1=O
|
C23H23Cl2N3O4 476.360000 |
JUUDJQBRUVPRLZ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761186; PubChem:CID176846868
|
Local ready
Direct docking supported
|
|
E3L040530
BDB040530
|
BDBM761187
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ncc(C2COC2)cn1
|
C23H24Cl2N4O4 491.375000 |
PSZBQDPOKPFWKD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761187; PubChem:CID176846838
|
Local ready
Direct docking supported
|
|
E3L040531
BDB040531
|
BDBM761188
CC(C)(C(=O)NCc1cc(Cl)c([C@@H]2CCC(=O)NC2=O)c(Cl)c1)c1ncccn1
|
C20H20Cl2N4O3 435.311000 |
ZBNWNWNETJCIJF-LBPRGKRZSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761188; PubChem:CID176157281
|
Local ready
Direct docking supported
|
|
E3L040532
BDB040532
|
BDBM761189
CC(C)(C(=O)NCc1cc(Cl)c([C@H]2CCC(=O)NC2=O)c(Cl)c1)c1ncccn1
|
C20H20Cl2N4O3 435.311000 |
ZBNWNWNETJCIJF-GFCCVEGCSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761189; PubChem:CID176157495
|
Local ready
Direct docking supported
|
|
E3L040533
BDB040533
|
BDBM761190
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ncc(C(F)F)cn1
|
C21H20Cl2F2N4O3 485.318000 |
SNGGURYNGOGHOT-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761190; PubChem:CID176157294
|
Local ready
Direct docking supported
|
|
E3L040534
BDB040534
|
BDBM761191
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1nccc(C(F)F)n1
|
C21H20Cl2F2N4O3 485.318000 |
VFAQZOCUKIYJLW-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761191; PubChem:CID176846915
|
Local ready
Direct docking supported
|
|
E3L040535
BDB040535
|
BDBM761192
COCc1cnc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)nc1
|
C22H24Cl2N4O4 479.364000 |
XVIKJSVJMDHVRZ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761192; PubChem:CID176846763
|
Local ready
Direct docking supported
|
|
E3L040536
BDB040536
|
BDBM761193
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc2ncoc2n1
|
C22H20Cl2N4O4 475.332000 |
MTCVKWDFSQMZBZ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761193; PubChem:CID176157490
|
Local ready
Direct docking supported
|
|
E3L040537
BDB040537
|
BDBM761194
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cc(C2CC2)on1
|
C22H23Cl2N3O4 464.349000 |
UTEWDNSNEQCOKR-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761194; PubChem:CID176846905
|
Local ready
Direct docking supported
|
|
E3L040538
BDB040538
|
BDBM761195
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ncc(CC(F)F)cn1
|
C22H22Cl2F2N4O3 499.345000 |
FZIRBYPFMLOFLV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761195; PubChem:CID176157260
|
Local ready
Direct docking supported
|
|
E3L040539
BDB040539
|
BDBM761196
CC(F)(F)c1cnc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)nc1
|
C22H22Cl2F2N4O3 499.345000 |
FARPWPNKGFZQAD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761196; PubChem:CID176157539
|
Local ready
Direct docking supported
|
|
E3L040540
BDB040540
|
BDBM761197
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ncc(OC(F)F)cn1
|
C21H20Cl2F2N4O4 501.317000 |
SLVOAXDPXTZPDZ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761197; PubChem:CID176157256
|
Local ready
Direct docking supported
|