| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L009181
BDB009181
|
BDBM214257
O=C(CNC(=O)OCc1ccccc1)Nc1cccc(CCc2n[nH]c(=O)c3c2CCCC3)c1
|
C26H28N4O4 460.534000 |
DFGDWUKHAMBFKY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214257; PubChem:CID69047880
|
Local ready
Direct docking supported
|
|
E3L009182
BDB009182
|
BDBM214258
O=C(CCC(=O)c1ccc(Oc2ccccc2)cc1)Nc1cccc(CCc2n[nH]c(=O)c3c2CCCC3)c1
|
C32H31N3O4 521.617000 |
MPRRVSYWVCSADF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214258; PubChem:CID69043849
|
Local ready
Direct docking supported
|
|
E3L009183
BDB009183
|
BDBM214259
O=C(Nc1cccc(CCc2n[nH]c(=O)c3c2CCCC3)c1)C1CCCN(C(=O)OCc2ccccc2)C1
|
C30H34N4O4 514.626000 |
FJOVJXZDYRCLBE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214259; PubChem:CID69045515
|
Local ready
Direct docking supported
|
|
E3L009184
BDB009184
|
BDBM214260
Cc1ccc(OCC(=O)Nc2cccc(CCc3n[nH]c(=O)c4c3CCCC4)c2)cc1
|
C25H27N3O3 417.509000 |
ZTTBXNXDBSRNSI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214260; PubChem:CID69046897
|
Local ready
Direct docking supported
|
|
E3L009185
BDB009185
|
BDBM214261
COc1ccc(OCC(=O)Nc2cccc(CCc3n[nH]c(=O)c4c3CCCC4)c2)cc1
|
C25H27N3O4 433.508000 |
RJSDQLTYXPJODH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214261; PubChem:CID69045473
|
Local ready
Direct docking supported
|
|
E3L009186
BDB009186
|
BDBM214262
CN1CCN(c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)C1=O
|
C19H21FN4O2 356.401000 |
WDBCKAWNMKBNDK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214262; PubChem:CID25007231
|
Local ready
Direct docking supported
|
|
E3L009187
BDB009187
|
BDBM214263
O=C1NCCCN1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C19H21FN4O2 356.401000 |
DXRJFNMVCCFFSZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214263; PubChem:CID25007232
|
Local ready
Direct docking supported
|
|
E3L009188
BDB009188
|
BDBM214264
CC(C)(C)N1CCN(c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)C1=O
|
C22H27FN4O2 398.482000 |
VOENODSCQBOKGH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214264; PubChem:CID25007588
|
Local ready
Direct docking supported
|
|
E3L009189
BDB009189
|
BDBM214265
O=C1[C@@H]2CCC(C2)N1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C21H22FN3O2 367.424000 |
DOISAUSITSTCMI-KWCCSABGSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214265; PubChem:CID89894128
|
Local ready
Direct docking supported
|
|
E3L009190
BDB009190
|
BDBM214266
CCc1ccccc1NC(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C24H25N3O2 387.483000 |
RMTSKHWVOUHFFL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214266; PubChem:CID69042838
|
Local ready
Direct docking supported
|
|
E3L009191
BDB009191
|
BDBM214267
CCc1cccc(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c1
|
C24H25N3O2 387.483000 |
FYJACSBXDMRQAE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214267; PubChem:CID69043884
|
Local ready
Direct docking supported
|
|
E3L009192
BDB009192
|
BDBM214268
CCc1ccc(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1
|
C24H25N3O2 387.483000 |
PTCAJWJPTGGYBM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214268; PubChem:CID69043762
|
Local ready
Direct docking supported
|
|
E3L009193
BDB009193
|
BDBM214269
CCCc1ccccc1NC(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C25H27N3O2 401.510000 |
QNKXZFFXJDCXKC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214269; PubChem:CID69042171
|
Local ready
Direct docking supported
|
|
E3L009194
BDB009194
|
BDBM214270
CC(C)c1ccccc1NC(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C25H27N3O2 401.510000 |
BJXJEYQUUUREFR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214270; PubChem:CID69045006
|
Local ready
Direct docking supported
|
|
E3L009195
BDB009195
|
BDBM214271
CC(C)c1ccc(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1
|
C25H27N3O2 401.510000 |
PCBRCMSRGDFXFH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214271; PubChem:CID69044823
|
Local ready
Direct docking supported
|
|
E3L009196
BDB009196
|
BDBM214272
CC(C)(C)c1cccc(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c1
|
C26H29N3O2 415.537000 |
QXYUSCHXLWFDBY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214272; PubChem:CID69044538
|
Local ready
Direct docking supported
|
|
E3L009197
BDB009197
|
BDBM214273
CC(C)(C)c1ccc(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1
|
C26H29N3O2 415.537000 |
BXOMZRSQQUMQIJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214273; PubChem:CID69045715
|
Local ready
Direct docking supported
|
|
E3L009198
BDB009198
|
BDBM214274
O=C(Nc1ccc(-c2ccccc2)cc1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C28H25N3O2 435.527000 |
BUPJHACYSNZRJS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214274; PubChem:CID69090634
|
Local ready
Direct docking supported
|
|
E3L009199
BDB009199
|
BDBM214275
Cc1ccc(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c(F)c1
|
C23H22FN3O2 391.446000 |
NYQWHGLWBCUAPF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214275; PubChem:CID69044180
|
Local ready
Direct docking supported
|
|
E3L009200
BDB009200
|
BDBM214276
Cc1ccc(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1F
|
C23H22FN3O2 391.446000 |
GAASCDVQSZEGRT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214276; PubChem:CID69043467
|
Local ready
Direct docking supported
|