| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L040601
BDB040601
|
BDBM761258
COc1ccc(C(C)(C)C(=O)NCc2cc(F)c(C3CCC(=O)NC3=O)c(Cl)c2)cn1
|
C22H23ClFN3O4 447.894000 |
PJXOZFWQMBZDDV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761258; PubChem:CID176846877
|
Local ready
Direct docking supported
|
|
E3L040602
BDB040602
|
BDBM761259
COc1cnc(C(C)(C)C(=O)NCc2cc(F)c(C3CCC(=O)NC3=O)c(Cl)c2)cn1
|
C21H22ClFN4O4 448.882000 |
QPCDIABQVNRKFZ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761259; PubChem:CID176846807
|
Local ready
Direct docking supported
|
|
E3L040603
BDB040603
|
BDBM761260
CCOc1cnc(C(C)(C)C(=O)NCc2cc(F)c(C3CCC(=O)NC3=O)c(Cl)c2)cn1
|
C22H24ClFN4O4 462.909000 |
RGVALPUMCNVZFB-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761260; PubChem:CID176846748
|
Local ready
Direct docking supported
|
|
E3L040604
BDB040604
|
BDBM761261
Cc1cnc(C(C)(C)C(=O)NCc2cc(F)c(C3CCC(=O)NC3=O)c(Cl)c2)nc1
|
C21H22ClFN4O3 432.883000 |
FMYURMCCBXGHDK-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761261; PubChem:CID176846765
|
Local ready
Direct docking supported
|
|
E3L040605
BDB040605
|
BDBM761262
Cc1coc(C(C)(C)C(=O)NCc2cc(F)c(C3CCC(=O)NC3=O)c(Cl)c2)n1
|
C20H21ClFN3O4 421.856000 |
FUFGURZNSNRGHM-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761262; PubChem:CID176846750
|
Local ready
Direct docking supported
|
|
E3L040606
BDB040606
|
BDBM761263
CC(F)(F)c1cnc(C(C)(C)C(=O)NCc2cc(F)c(C3CCC(=O)NC3=O)c(Cl)c2)cn1
|
C22H22ClF3N4O3 482.890000 |
YGACNWFHMYSJMM-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761263; PubChem:CID176846812
|
Local ready
Direct docking supported
|
|
E3L040607
BDB040607
|
BDBM761264
COc1cnc(C(C)(C)C(=O)NCc2cc(F)c(C3CCC(=O)NC3=O)c(Cl)c2)nc1
|
C21H22ClFN4O4 448.882000 |
JCGGZEGGEPZAKP-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761264; PubChem:CID176846837
|
Local ready
Direct docking supported
|
|
E3L040608
BDB040608
|
BDBM761265
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cnc(OC(F)F)cn1
|
C21H20Cl2F2N4O4 501.317000 |
LLZXADXOKPOHET-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761265; PubChem:CID176846874
|
Local ready
Direct docking supported
|
|
E3L040609
BDB040609
|
BDBM761266
CCOc1ccc(C(C)(C)C(=O)NCc2cc(F)c(C3CCC(=O)NC3=O)c(Cl)c2)nn1
|
C22H24ClFN4O4 462.909000 |
VGIMAZCXWQIQEN-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761266; PubChem:CID176846899
|
Local ready
Direct docking supported
|
|
E3L040610
BDB040610
|
BDBM761267
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cnc(OC(F)(F)F)cn1
|
C21H19Cl2F3N4O4 519.307000 |
FKWWNEAGZWUXOB-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761267; PubChem:CID176846761
|
Local ready
Direct docking supported
|
|
E3L040611
BDB040611
|
BDBM761268
CC(C)(C(=O)NCc1cc(F)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cc(F)ccn1
|
C21H20ClF2N3O3 435.858000 |
KZANADYFQMXIQT-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761268; PubChem:CID176157388
|
Local ready
Direct docking supported
|
|
E3L040612
BDB040612
|
BDBM761269
COc1ccc(C(C)(C)C(=O)NCc2cc(F)c(C3CCC(=O)NC3=O)c(Cl)c2)nc1
|
C22H23ClFN3O4 447.894000 |
DCMJBRZJALGYGZ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761269; PubChem:CID176846794
|
Local ready
Direct docking supported
|
|
E3L040613
BDB040613
|
BDBM761270
COc1ccc(C(C)(C)C(=O)NCc2cc(F)c(C3CCC(=O)NC3=O)c(Cl)c2)nn1
|
C21H22ClFN4O4 448.882000 |
LCRRQHKUCAPQRM-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761270; PubChem:CID176846892
|
Local ready
Direct docking supported
|
|
E3L040614
BDB040614
|
BDBM761271
CC(F)(F)c1cnc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)cn1
|
C22H22Cl2F2N4O3 499.345000 |
GUXRRJIEQVUSAO-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761271; PubChem:CID176846764
|
Local ready
Direct docking supported
|
|
E3L040615
BDB040615
|
BDBM761272
CC(C)(C(=O)NCc1cc(F)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cnc(OC(F)(F)F)cn1
|
C21H19ClF4N4O4 502.852000 |
KITWYRAPQFMWRX-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761272; PubChem:CID176846778
|
Local ready
Direct docking supported
|
|
E3L040616
BDB040616
|
BDBM761273
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)C1CCCO1
|
C20H24Cl2N2O4 427.328000 |
VXGVZKIPKINMDI-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761273; PubChem:CID176157466
|
Local ready
Direct docking supported
|
|
E3L040617
BDB040617
|
BDBM761274
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cn(C(C)(F)F)c(=O)cn1
|
C22H22Cl2F2N4O4 515.344000 |
LMSNQEBHCGVTKQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761274; PubChem:CID176157288
|
Local ready
Direct docking supported
|
|
E3L040618
BDB040618
|
BDBM761275
CC(C)(C(=O)NCc1cc(F)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc(OC(F)F)nc1
|
C22H21ClF3N3O4 483.874000 |
OYWACFFEUOIJJS-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761275; PubChem:CID176846756
|
Local ready
Direct docking supported
|
|
E3L040619
BDB040619
|
BDBM761276
COc1conc1C(C)(C)C(=O)NCc1cc(F)c(C2CCC(=O)NC2=O)c(Cl)c1
|
C20H21ClFN3O5 437.855000 |
STGFWMQTZUZCFR-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761276; PubChem:CID176846909
|
Local ready
Direct docking supported
|
|
E3L040620
BDB040620
|
BDBM761277
CC(C)(C(=O)NCc1cc(F)c(C2CCC(=O)NC2=O)c(Cl)c1)c1ccc(OCC(F)F)nc1
|
C23H23ClF3N3O4 497.901000 |
QXHQKRAQZLOZJN-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761277; PubChem:CID176157310
|
Local ready
Direct docking supported
|