| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L037001
BDB037001
|
BDBM733939
CN(CCN)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C16H18N4O4 330.344000 |
VPHXULKSNFJTLY-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733939; PubChem:CID138467101
|
Local ready
Direct docking supported
|
|
E3L037002
BDB037002
|
BDBM733940
NCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C16H18N4O4 330.344000 |
GLENDMWZMABWHU-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733940; PubChem:CID131999668
|
Local ready
Direct docking supported
|
|
E3L037003
BDB037003
|
BDBM733941
O=C1CCC(N2C(=O)c3cccc(NCC4CCNCC4)c3C2=O)C(=O)N1
|
C19H22N4O4 370.409000 |
VNFWYVNPXMSMPZ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733941; PubChem:CID138466911
|
Local ready
Direct docking supported
|
|
E3L037004
BDB037004
|
BDBM733942
O=C1CCC(N2C(=O)c3cccc(NCC4CCCNC4)c3C2=O)C(=O)N1
|
C19H22N4O4 370.409000 |
VYVOJWIWGAHCQV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733942; PubChem:CID138466912
|
Local ready
Direct docking supported
|
|
E3L037005
BDB037005
|
BDBM733943
O=C1CCC(N2C(=O)c3cccc(N[C@H]4CCNC4)c3C2=O)C(=O)N1
|
C17H18N4O4 342.355000 |
JLKPNBWNCMTSMP-QHGLUPRGSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733943; PubChem:CID138466910
|
Local ready
Direct docking supported
|
|
E3L037006
BDB037006
|
BDBM733944
O=C1CCC(N2C(=O)c3cccc(NC4CCCCNC4)c3C2=O)C(=O)N1
|
C19H22N4O4 370.409000 |
YJSRHZSKKDGQQK-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733944; PubChem:CID138466918
|
Local ready
Direct docking supported
|
|
E3L037007
BDB037007
|
BDBM733945
O=C1CCC(N2C(=O)c3cccc(NCCC4CCCCN4)c3C2=O)C(=O)N1
|
C20H24N4O4 384.436000 |
XHOLKXYGIDEGOG-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733945; PubChem:CID138467100
|
Local ready
Direct docking supported
|
|
E3L037008
BDB037008
|
BDBM733946
NCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C17H20N4O5 360.370000 |
WEPAAESBMNSHJA-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733946; PubChem:CID131999669
|
Local ready
Direct docking supported
|
|
E3L037009
BDB037009
|
BDBM733947
O=C1CCC(N2C(=O)c3cccc(N4CCNCC4)c3C2=O)C(=O)N1
|
C17H18N4O4 342.355000 |
APURBVBIOACKLC-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733947; PubChem:CID132118673
|
Local ready
Direct docking supported
|
|
E3L037010
BDB037010
|
BDBM733948
Cn1cc(CNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1
|
C17H16N6O4 368.353000 |
LQECVCFZFDNEOL-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733948; PubChem:CID138467273
|
Local ready
Direct docking supported
|
|
E3L037011
BDB037011
|
BDBM733949
O=C1CCC(N2C(=O)c3ccc(N4CCNCC4)cc3C2=O)C(=O)N1
|
C17H18N4O4 342.355000 |
GFCKACFUYUKAPW-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733949; PubChem:CID134413720
|
Local ready
Direct docking supported
|
|
E3L037012
BDB037012
|
BDBM733950
CC(Cn1cc(CNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1)c1ccccn1
|
C24H23N7O4 473.493000 |
WBSGQFUWOWEPTQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733950; PubChem:CID132118566
|
Local ready
Direct docking supported
|
|
E3L037013
BDB037013
|
BDBM733951
COCCn1cc(CNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1
|
C19H20N6O5 412.406000 |
CERSTJCSNGCZAS-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733951; PubChem:CID132118002
|
Local ready
Direct docking supported
|
|
E3L037014
BDB037014
|
BDBM733952
Cc1cncc(CCn2cc(CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nn2)n1
|
C23H22N8O4 474.481000 |
OMVKMZFVNKGLMI-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733952; PubChem:CID132118488
|
Local ready
Direct docking supported
|
|
E3L037015
BDB037015
|
BDBM733953
O=C1CCC(N2C(=O)c3cccc(NCc4cn(CCC5CC5(Cl)Cl)nn4)c3C2=O)C(=O)N1
|
C21H20Cl2N6O4 491.335000 |
JSZUAWNQDQOSPY-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733953; PubChem:CID132118405
|
Local ready
Direct docking supported
|
|
E3L037016
BDB037016
|
BDBM733954
CNC(=O)CCn1cc(CNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1
|
C20H21N7O5 439.432000 |
SJTKLVMBAIOSTR-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733954; PubChem:CID132118461
|
Local ready
Direct docking supported
|
|
E3L037017
BDB037017
|
BDBM733955
O=C1CCC(N2C(=O)c3cccc(NCc4cn(Cc5ccno5)nn4)c3C2=O)C(=O)N1
|
C20H17N7O5 435.400000 |
VENQTDUAGFJJJV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733955; PubChem:CID132118149
|
Local ready
Direct docking supported
|
|
E3L037018
BDB037018
|
BDBM733956
O=C1CCC(N2C(=O)c3cccc(NCc4cn(CC5CCOC5)nn4)c3C2=O)C(=O)N1
|
C21H22N6O5 438.444000 |
KRJKEPHEPXXSKO-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733956; PubChem:CID132118696
|
Local ready
Direct docking supported
|
|
E3L037019
BDB037019
|
BDBM733957
O=C1CCC(N2C(=O)c3cccc(NCc4cn(CCBr)nn4)c3C2=O)C(=O)N1
|
C18H17BrN6O4 461.276000 |
GMALYDVSGQZPEH-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733957; PubChem:CID132118064
|
Local ready
Direct docking supported
|
|
E3L037020
BDB037020
|
BDBM733958
O=C1CCC(N2C(=O)c3cccc(NCc4cn(-c5cccnc5)nn4)c3C2=O)C(=O)N1
|
C21H17N7O4 431.412000 |
KAGHGLLFFKOCCG-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM733958; PubChem:CID132118150
|
Local ready
Direct docking supported
|