| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L040481
BDB040481
|
BDBM761138
O=C1CCC(c2c(Cl)cc(CNC(=O)C3(c4ccccc4)COC3)cc2Cl)C(=O)N1
|
C22H20Cl2N2O4 447.318000 |
HOGCVFQWZXTMAU-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761138; PubChem:CID176846819
|
Local ready
Direct docking supported
|
|
E3L040482
BDB040482
|
BDBM761139
O=C1CCC(c2c(Cl)cc(CNC(=O)C3(c4ccccc4)CCC3)cc2Cl)C(=O)N1
|
C23H22Cl2N2O3 445.346000 |
VBBSJDUWSYGPDB-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761139; PubChem:CID176157248
|
Local ready
Direct docking supported
|
|
E3L040483
BDB040483
|
BDBM761140
O=C1CCC(c2c(Cl)cc(CNC(=O)C3(c4ccc5cn[nH]c5c4)CCOCC3)cc2Cl)C(=O)N1
|
C25H24Cl2N4O4 515.397000 |
BITYGUQDRHUTJX-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761140; PubChem:CID176157587
|
Local ready
Direct docking supported
|
|
E3L040484
BDB040484
|
BDBM761141
O=C1CCC(c2c(Cl)cc(CNC(=O)C3(c4ccc5[nH]ncc5c4)CCOCC3)cc2Cl)C(=O)N1
|
C25H24Cl2N4O4 515.397000 |
UNQDFQHKDRYKPQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761141; PubChem:CID176157289
|
Local ready
Direct docking supported
|
|
E3L040485
BDB040485
|
BDBM761142
Cn1ncc2ccc(C3(C(=O)NCc4cc(Cl)c(C5CCC(=O)NC5=O)c(Cl)c4)CCOCC3)cc21
|
C26H26Cl2N4O4 529.424000 |
KOALGQAMUABJLE-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761142; PubChem:CID176846932
|
Local ready
Direct docking supported
|
|
E3L040486
BDB040486
|
BDBM761143
Cn1ncc2ccc(C3(C(=O)NCc4cc(Cl)c(C5CCC(=O)NC5=O)c(Cl)c4)CC(=O)C3)cc21
|
C25H22Cl2N4O4 513.381000 |
ZBKJAKRORVGKDT-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761143; PubChem:CID176157333
|
Local ready
Direct docking supported
|
|
E3L040487
BDB040487
|
BDBM761144
CN1CCC(C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)(c2ccc(F)cc2)CC1
|
C25H26Cl2FN3O3 506.405000 |
XGDLHZYDMNPGJE-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761144; PubChem:CID176157410
|
Local ready
Direct docking supported
|
|
E3L040488
BDB040488
|
BDBM761145
O=C1CCC(c2c(Cl)cc(CNC(=O)C3(c4ccnc(F)c4)CC(F)(F)C3)cc2Cl)C(=O)N1
|
C22H18Cl2F3N3O3 500.304000 |
ANLKVKWOSLVJPR-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761145; PubChem:CID176157379
|
Local ready
Direct docking supported
|
|
E3L040489
BDB040489
|
BDBM761146
O=C1CC(C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)(c2ccc(F)cc2)C1
|
C23H19Cl2FN2O4 477.319000 |
PQHUBPSGCZRYKW-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761146; PubChem:CID176157362
|
Local ready
Direct docking supported
|
|
E3L040490
BDB040490
|
BDBM761147
O=C1CCC(c2ccc(CNC(=O)C3(c4ccc(F)cc4)CCOCC3)cc2Cl)C(=O)N1
|
C24H24ClFN2O4 458.917000 |
PHIPIWFSQGXCIK-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761147; PubChem:CID176846805
|
Local ready
Direct docking supported
|
|
E3L040491
BDB040491
|
BDBM761148
O=C1CCC(c2c(Cl)cc(CNC(=O)C3(c4ccc(F)cc4)CC(F)(F)C3)cc2Cl)C(=O)N1
|
C23H19Cl2F3N2O3 499.316000 |
UFMDCGVYJMISBB-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761148; PubChem:CID176157485
|
Local ready
Direct docking supported
|
|
E3L040492
BDB040492
|
BDBM761149
O=C1CCC(c2c(Cl)cc(CNC(=O)C3(c4ccc(F)cc4)COC3)cc2Cl)C(=O)N1
|
C22H19Cl2FN2O4 465.308000 |
YBCNIKSIIUSLLD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761149; PubChem:CID176846801
|
Local ready
Direct docking supported
|
|
E3L040493
BDB040493
|
BDBM761150
O=C1CCC(c2c(Cl)cc(CNC(=O)C3(c4ccc(F)cc4)CCOC3)cc2Cl)C(=O)N1
|
C23H21Cl2FN2O4 479.335000 |
QZSRFRCRCBTIHK-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761150; PubChem:CID176846924
|
Local ready
Direct docking supported
|
|
E3L040494
BDB040494
|
BDBM761151
O=C1CCC(c2c(Cl)cc(CNC(=O)C3(c4ccc(F)cc4)CCOCC3)cc2Cl)C(=O)N1
|
C24H23Cl2FN2O4 493.362000 |
VRDCLMRUNPSEAE-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761151; PubChem:CID176846857
|
Local ready
Direct docking supported
|
|
E3L040495
BDB040495
|
BDBM761152
O=C1CCC(c2c(Cl)cc(CNC(=O)C3(c4ccncc4)CCCC3)cc2Cl)C(=O)N1
|
C23H23Cl2N3O3 460.361000 |
UUDQSKYYPXPPGL-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761152; PubChem:CID176157349
|
Local ready
Direct docking supported
|
|
E3L040496
BDB040496
|
BDBM761153
O=C1CCC(c2c(Cl)cc(CNC(=O)C3(c4ccncc4)CCC3)cc2Cl)C(=O)N1
|
C22H21Cl2N3O3 446.334000 |
HXEQQCIETRSEQG-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761153; PubChem:CID176846860
|
Local ready
Direct docking supported
|
|
E3L040497
BDB040497
|
BDBM761154
Cc1cc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)no1
|
C20H21Cl2N3O4 438.311000 |
TUNTXTWGDWIBHO-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761154; PubChem:CID176846891
|
Local ready
Direct docking supported
|
|
E3L040498
BDB040498
|
BDBM761155
CC(C)(C(=O)NCc1cc(Cl)c(C2CCC(=O)NC2=O)c(Cl)c1)c1cc2ocnc2cn1
|
C22H20Cl2N4O4 475.332000 |
VQCPIGYLBJCGSB-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761155; PubChem:CID176846922
|
Local ready
Direct docking supported
|
|
E3L040499
BDB040499
|
BDBM761156
CC(C)(O)c1cnc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)nc1
|
C23H26Cl2N4O4 493.391000 |
WFFGFQAQWKSFRX-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761156; PubChem:CID176846913
|
Local ready
Direct docking supported
|
|
E3L040500
BDB040500
|
BDBM761157
Cn1cccc(C(C)(C)C(=O)NCc2cc(Cl)c(C3CCC(=O)NC3=O)c(Cl)c2)c1=O
|
C22H23Cl2N3O4 464.349000 |
QBQLCBIETYQMMU-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM761157; PubChem:CID176157387
|
Local ready
Direct docking supported
|