| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055741
BDB055741
|
BDBM50427948
O=C1NCC2c3c(cccc31)CCN2CC(=O)N1C[C@H]2CNC[C@H]2C1
|
C19H24N4O2 340.427000 |
HDOYMGDWHZRIBU-MZBDJJRSSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50427948; PubChem:CID71606571
|
Local ready
Direct docking supported
|
|
E3L055742
BDB055742
|
BDBM50427989
CS(=O)(=O)c1ccc(-c2nnc(/C=C/c3nnc(-c4ccc(C#N)cc4)o3)n2-c2ccccc2Cl)nc1
|
C25H16ClN7O3S 529.969000 |
HIWVLHPKZNBSBE-OUKQBFOZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50427989; PubChem:CID67960134
|
Local ready
Direct docking supported
|
|
E3L055743
BDB055743
|
BDBM50428235
CN1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccc(F)cc2)CC1
|
C18H19FN4O3 358.373000 |
BKPPOLBWVUWRTJ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50428235; PubChem:CID71718900
|
Local ready
Direct docking supported
|
|
E3L055744
BDB055744
|
BDBM50428236
COc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c1
|
C19H22N4O4 370.409000 |
XUPWXLOPCYFDQV-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50428236; PubChem:CID2966069
|
Local ready
Direct docking supported
|
|
E3L055745
BDB055745
|
BDBM50428237
CN1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2cccc(O)c2)CC1
|
C18H20N4O4 356.382000 |
YJZGLINFUJXTHC-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50428237; PubChem:CID71718311
|
Local ready
Direct docking supported
|
|
E3L055746
BDB055746
|
BDBM50428238
Cc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c1Cl
|
C19H21ClN4O3 388.855000 |
CAKDOAZUWFITOS-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50428238; PubChem:CID71720108
|
Local ready
Direct docking supported
|
|
E3L055747
BDB055747
|
BDBM50428239
Cc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c1
|
C19H22N4O3 354.410000 |
MYLOZIMRILOZFD-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50428239; PubChem:CID71719517
|
Local ready
Direct docking supported
|
|
E3L055748
BDB055748
|
BDBM50428240
CN1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2cccc(Cl)c2)CC1
|
C18H19ClN4O3 374.828000 |
QQMREAFPDZRCQL-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50428240; PubChem:CID71720107
|
Local ready
Direct docking supported
|
|
E3L055749
BDB055749
|
N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]acetamide
CC(=O)Nc1cc([N+](=O)[O-])ccc1N1CCN(C)CC1
|
C13H18N4O3 278.312000 |
FSQBTKZGKQMDMQ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50428241; PubChem:CID2966356
|
Local ready
Direct docking supported
|
|
E3L055750
BDB055750
|
BDBM50428242
CN(C)CCN(C)c1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1Cl
|
C18H21ClN4O3 376.844000 |
BUELYUFPHSYCND-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50428242; PubChem:CID71717691
|
Local ready
Direct docking supported
|
|
E3L055751
BDB055751
|
BDBM50428243
NC1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccccc2Cl)CC1
|
C18H19ClN4O3 374.828000 |
HEIWDGOGAQQRED-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50428243; PubChem:CID71719516
|
Local ready
Direct docking supported
|
|
E3L055752
BDB055752
|
BDBM50428244
NC1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccccc2Cl)C1
|
C17H17ClN4O3 360.801000 |
PJYBDMFDAJSLOC-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50428244; PubChem:CID71718310
|
Local ready
Direct docking supported
|
|
E3L055753
BDB055753
|
2-chloro-N-(5-nitro-2-piperazin-1-ylphenyl)benzamide
O=C(Nc1cc([N+](=O)[O-])ccc1N1CCNCC1)c1ccccc1Cl
|
C17H17ClN4O3 360.801000 |
UDAPACXOKFFESJ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50428245; PubChem:CID71718908
|
Local ready
Direct docking supported
|
|
E3L055754
BDB055754
|
BDBM50428246
CN(C)C1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccccc2Cl)CC1
|
C20H23ClN4O3 402.882000 |
VKCPJTGJMTXVTH-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50428246; PubChem:CID71716466
|
Local ready
Direct docking supported
|
|
E3L055755
BDB055755
|
BDBM50428247
CN(C)C1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccccc2Cl)C1
|
C19H21ClN4O3 388.855000 |
WWEQETXLXQGPFH-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50428247; PubChem:CID71718297
|
Local ready
Direct docking supported
|
|
E3L055756
BDB055756
|
BDBM50428248
CCN1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccccc2Cl)CC1
|
C19H21ClN4O3 388.855000 |
OTWKATJZXRXYER-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50428248; PubChem:CID71720102
|
Local ready
Direct docking supported
|
|
E3L055757
BDB055757
|
2-chloro-N-[5-nitro-2-(1-piperidinyl)phenyl]benzamide
O=C(Nc1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccccc1Cl
|
C18H18ClN3O3 359.813000 |
NUZBTILHBGOJEY-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50428249; PubChem:CID2966177
|
Local ready
Direct docking supported
|
|
E3L055758
BDB055758
|
2-chloro-N-(2-morpholin-4-yl-5-nitrophenyl)benzamide
O=C(Nc1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccccc1Cl
|
C17H16ClN3O4 361.785000 |
UXHRSRFKFFQNBQ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50428250; PubChem:CID71717683
|
Local ready
Direct docking supported
|
|
E3L055759
BDB055759
|
BDBM50428251
CN1CCCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccccc2Cl)CC1
|
C19H21ClN4O3 388.855000 |
KGNCUTSDWNMVFL-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50428251; PubChem:CID71719508
|
Local ready
Direct docking supported
|
|
E3L055760
BDB055760
|
BDBM50428252
CC1CN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccccc2Cl)CCN1C
|
C19H21ClN4O3 388.855000 |
FPXFGQWJDCLQGG-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50428252; PubChem:CID71719507
|
Local ready
Direct docking supported
|