| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L031321
BDB031321
|
BDBM627111
CC(=O)N1CCC(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1
|
C14H18N4O4S 338.389000 |
VIVCQPMJPGVOCI-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627111; PubChem:CID110715031
|
Local ready
Direct docking supported
|
|
E3L031322
BDB031322
|
BDBM627112
COC(=O)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
|
C15H13N3O5S 347.352000 |
FJIKOFUNUATRPB-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627112; PubChem:CID137526101
|
Local ready
Direct docking supported
|
|
E3L031323
BDB031323
|
BDBM627113
CC(C)(C)OC(=O)Nc1ccc2c(c1)CCN2C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
|
C21H23N5O4 409.446000 |
BXJGWGYJJMQYMO-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627113; PubChem:CID137532156
|
Local ready
Direct docking supported
|
|
E3L031324
BDB031324
|
BDBM627114
CC(C)c1nc2cc(OCc3ccccc3)ccc2n1-c1ccc2[nH]c(=O)[nH]c2c1
|
C24H22N4O2 398.466000 |
HIZFYEJBYLWSIB-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627114; PubChem:CID137532163
|
Local ready
Direct docking supported
|
|
E3L031325
BDB031325
|
BDBM627115
Nc1ccc2c(c1)CCN2C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
|
C16H15N5O2 309.329000 |
BRSXRIHOQCPDES-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627115; PubChem:CID137525612
|
Local ready
Direct docking supported
|
|
E3L031326
BDB031326
|
BDBM627116
Cc1ccccc1-c1ccccc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
|
C21H17N3O2 343.386000 |
ACAPVKQHWAEXHC-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627116; PubChem:CID137525639
|
Local ready
Direct docking supported
|
|
E3L031327
BDB031327
|
BDBM627117
O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1Cc1ccccc1
|
C21H17N3O2 343.386000 |
KIARWOXVUUIGJU-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627117; PubChem:CID31617741
|
Local ready
Direct docking supported
|
|
E3L031328
BDB031328
|
BDBM627118
COc1ccc2c(c1)nc(C(C)C)n2-c1ccc2[nH]c(=O)[nH]c2c1
|
C18H18N4O2 322.368000 |
ABMXMZZAFVYWQF-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627118; PubChem:CID137532065
|
Local ready
Direct docking supported
|
|
E3L031329
BDB031329
|
BDBM627119
CC(C)(C)OC(=O)N1CCC(S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1
|
C17H24N4O5S 396.469000 |
VHEDPLSNTIJHCV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627119; PubChem:CID137526228
|
Local ready
Direct docking supported
|
|
E3L031330
BDB031330
|
BDBM627120
CCOC(=O)c1ccc(NC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
|
C17H16N4O4 340.339000 |
CJAWQOKZHFBZKV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627120; PubChem:CID137526209
|
Local ready
Direct docking supported
|
|
E3L031331
BDB031331
|
BDBM627121
O=C(Nc1cccc(F)c1)Nc1ccc2[nH]c(=O)[nH]c2c1
|
C14H11FN4O2 286.266000 |
ZLUIEYNLLPUBSK-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627121; PubChem:CID48741039
|
Local ready
Direct docking supported
|
|
E3L031332
BDB031332
|
BDBM627122
COc1ccccc1N1CCN(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1
|
C19H21N5O3 367.409000 |
ZNQDMGUVOOUVMC-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627122; PubChem:CID137525982
|
Local ready
Direct docking supported
|
|
E3L031333
BDB031333
|
BDBM627123
O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCc2ccc(Cl)cc21
|
C16H13ClN4O2 328.759000 |
RMNRJQDVTUQMCV-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627123; PubChem:CID137526010
|
Local ready
Direct docking supported
|
|
E3L031334
BDB031334
|
BDBM627124
Cn1ccc(-c2cccc(NC(=O)c3ccc4[nH]c(=O)[nH]c4c3)c2)n1
|
C18H15N5O2 333.351000 |
XZAGJIVFIRWQQI-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627124; PubChem:CID137526089
|
Local ready
Direct docking supported
|
|
E3L031335
BDB031335
|
BDBM627125
CNC(=O)c1ccc2c(c1)nc(C1CCC(OC)CC1)n2-c1ccc2[nH]c(=O)[nH]c2c1
|
C23H25N5O3 419.485000 |
QFWFXLXYXRSVHT-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627125; PubChem:CID137526071
|
Local ready
Direct docking supported
|
|
E3L031336
BDB031336
|
BDBM627126
COc1cnccc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
|
C14H12N4O3 284.275000 |
SXCZQCWRAYXQGD-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627126; PubChem:CID137525619
|
Local ready
Direct docking supported
|
|
E3L031337
BDB031337
|
BDBM627127
CNC(=O)c1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cn1
|
C15H13N5O3 311.301000 |
KRCKXXZEQLFLHI-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627127; PubChem:CID137525584
|
Local ready
Direct docking supported
|
|
E3L031338
BDB031338
|
BDBM627128
O=c1[nH]c2ccc(NS(=O)(=O)C3CCNCC3)cc2[nH]1
|
C12H16N4O3S 296.352000 |
QJLHBAIDPVTCQG-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627128; PubChem:CID151595830
|
Local ready
Direct docking supported
|
|
E3L031339
BDB031339
|
BDBM627129
O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(Cc2ccc(Cl)cc2)CC1
|
C19H20ClN5O2 385.855000 |
RJTYGLBDHCZEDN-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627129; PubChem:CID137525789
|
Local ready
Direct docking supported
|
|
E3L031340
BDB031340
|
BDBM627130
O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1-c1ccncc1
|
C19H14N4O2 330.347000 |
SQUNTWRCFSJWIK-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM627130; PubChem:CID137525567
|
Local ready
Direct docking supported
|