| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L007961
BDB007961
|
BDBM191168
C[C@H](c1ccc(F)cc1)N(Cc1nc2c(c(=O)[nH]1)COCC2)C(=O)CN1CCC(C(=O)c2ccc(F)cc2)CC1
|
C30H32F2N4O4 550.606000 |
QDMLZFDXQMJAJN-LJQANCHMSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191168; PubChem:CID136237394
|
Local ready
Direct docking supported
|
|
E3L007962
BDB007962
|
BDBM191169
CC(c1ccc(F)cc1F)N(Cc1nc2c(c(=O)[nH]1)COCC2)C(=O)CN1CCC(C(=O)c2ccc(F)cc2)CC1
|
C30H31F3N4O4 568.596000 |
IGFHGNCTXXHXTG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191169; PubChem:CID136237395
|
Local ready
Direct docking supported
|
|
E3L007963
BDB007963
|
BDBM191170
O=C(c1ccc(F)cc1)C1CCN(CC(=O)N(Cc2nc3c(c(=O)[nH]2)COCC3)Cc2ccccc2F)CC1
|
C29H30F2N4O4 536.579000 |
RKIQHTHWSKPSAF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191170; PubChem:CID136237397
|
Local ready
Direct docking supported
|
|
E3L007964
BDB007964
|
BDBM191171
O=C(c1ccc(F)cc1)C1CCN(CC(=O)N(Cc2nc3c(c(=O)[nH]2)COCC3)Cc2ccc(F)cc2F)CC1
|
C29H29F3N4O4 554.569000 |
CCMLHPSWIFWPCV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191171; PubChem:CID136237407
|
Local ready
Direct docking supported
|
|
E3L007965
BDB007965
|
BDBM191172
C[C@H](C1CC1)N(Cc1nc2c(c(=O)[nH]1)COCC2)C(=O)CN1CCC(C(=O)c2ccc(F)cc2)CC1
|
C27H33FN4O4 496.583000 |
KGBRRRXNQADTEZ-QGZVFWFLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191172; PubChem:CID136237408
|
Local ready
Direct docking supported
|
|
E3L007966
BDB007966
|
BDBM191173
C[C@@H](C1CC1)N(Cc1nc2c(c(=O)[nH]1)COCC2)C(=O)CN1CCC(C(=O)c2ccc(F)cc2)CC1
|
C27H33FN4O4 496.583000 |
KGBRRRXNQADTEZ-KRWDZBQOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191173; PubChem:CID136237409
|
Local ready
Direct docking supported
|
|
E3L007967
BDB007967
|
BDBM191174
N#CCN(Cc1nc2c(c(=O)[nH]1)COCC2)C(=O)CN1CCC(C(=O)c2ccc(F)cc2)CC1
|
C24H26FN5O4 467.501000 |
YUDGTTXXTCECMU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191174; PubChem:CID136237410
|
Local ready
Direct docking supported
|
|
E3L007968
BDB007968
|
BDBM191175
O=C(c1ccc(F)cc1)C1CCN(CC(=O)N(CCF)Cc2nc3c(c(=O)[nH]2)COCC3)CC1
|
C24H28F2N4O4 474.508000 |
NSJLEHJIFVCZLL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191175; PubChem:CID136237411
|
Local ready
Direct docking supported
|
|
E3L007969
BDB007969
|
BDBM191176
O=C(c1ccc(F)cc1)C1CCN(CC(=O)N(Cc2nc3c(c(=O)[nH]2)COCC3)CC(F)F)CC1
|
C24H27F3N4O4 492.498000 |
DYSYSZSIEJMTPV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191176; PubChem:CID136237418
|
Local ready
Direct docking supported
|
|
E3L007970
BDB007970
|
BDBM191177
N#Cc1ccc(CN(Cc2nc3c(c(=O)[nH]2)COCC3)C(=O)CN2CCC(C(=O)c3ccc(F)cc3)CC2)s1
|
C28H28FN5O4S 549.628000 |
KFHSJMVNDVHQGS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191177; PubChem:CID136237419
|
Local ready
Direct docking supported
|
|
E3L007971
BDB007971
|
BDBM191179
O=C(c1ccc(F)cc1)C1CCN(CC(=O)N(Cc2nc3c(c(=O)[nH]2)COCC3)CC(F)(F)F)CC1
|
C24H26F4N4O4 510.488000 |
JAQKAGMLMPVHSU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191179; PubChem:CID136237421
|
Local ready
Direct docking supported
|
|
E3L007972
BDB007972
|
BDBM191180
CC(c1cccs1)N(Cc1nc2c(c(=O)[nH]1)COCC2)C(=O)CN1CCC(C(=O)c2ccc(F)cc2)CC1
|
C28H31FN4O4S 538.645000 |
GNQUPDFWLAMRMB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191180; PubChem:CID136237422
|
Local ready
Direct docking supported
|
|
E3L007973
BDB007973
|
BDBM191181
COc1ccc(C(=O)C2CCN(CC(=O)N(Cc3nc4c(c(=O)[nH]3)COCC4)CC(F)F)CC2)cc1
|
C25H30F2N4O5 504.534000 |
WDZBHMSPANOWRC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191181; PubChem:CID136237431
|
Local ready
Direct docking supported
|
|
E3L007974
BDB007974
|
BDBM191182
O=C(CN1CCC(c2noc3cc(F)ccc23)CC1)NCc1nc2c(c(=O)[nH]1)COCC2
|
C22H24FN5O4 441.463000 |
QERGZXHGTSDAGX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191182; PubChem:CID136237432
|
Local ready
Direct docking supported
|
|
E3L007975
BDB007975
|
BDBM191185
COCCN(Cc1nc2c(c(=O)[nH]1)COCC2)C(=O)CN1CCC(C(=O)c2ccc(OC)cc2)CC1
|
C26H34N4O6 498.580000 |
CVRMLBHUCXVUNB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191185; PubChem:CID136237435
|
Local ready
Direct docking supported
|
|
E3L007976
BDB007976
|
BDBM191192
O=C(CN1CCC2(CC1)Cc1cc(F)ccc1C2=O)NCc1nc2c(c(=O)[nH]1)COCC2
|
C23H25FN4O4 440.475000 |
MPGRGIIZXCNTKV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191192; PubChem:CID136237453
|
Local ready
Direct docking supported
|
|
E3L007977
BDB007977
|
BDBM191197
CCOc1ccc(C(=O)C2CCN(CC(=O)NCc3nc4c(c(=O)[nH]3)COCC4)CC2)cc1
|
C24H30N4O5 454.527000 |
DBNHRWOXIIAGGS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191197; PubChem:CID136237470
|
Local ready
Direct docking supported
|
|
E3L007978
BDB007978
|
BDBM191198
COc1ccc(C(=O)C2CCN(CC(=O)NCc3nc4c(c(=O)[nH]3)COCC4)CC2)cc1
|
C23H28N4O5 440.500000 |
ULCIOMUEHZHNQU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191198; PubChem:CID136237471
|
Local ready
Direct docking supported
|
|
E3L007979
BDB007979
|
BDBM191201
O=C(c1ccc(OC(F)(F)F)cc1)C1CCN(CC(=O)N(Cc2nc3c(c(=O)[nH]2)COCC3)CC2CC2)CC1
|
C27H31F3N4O5 548.562000 |
OUQKWLCWNMVJML-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191201; PubChem:CID136627202
|
Local ready
Direct docking supported
|
|
E3L007980
BDB007980
|
BDBM191202
O=C(c1ccc(OC(F)(F)F)cc1)C1CCN(CC(=O)N(Cc2nc3c(c(=O)[nH]2)COCC3)CC(F)F)CC1
|
C25H27F5N4O5 558.504000 |
KJYQLKOWSQIIBB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM191202; PubChem:CID136237488
|
Local ready
Direct docking supported
|