| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L042781
BDB042781
|
BDBM787012
CN1CCC[C@H]([C@@H]2CNc3cc(F)cc4c(=O)[nH]nc2c34)C1
|
C16H19FN4O 302.353000 |
PPBRXPVMGVPKNB-CABZTGNLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787012; PubChem:CID178185417
|
Local ready
Direct docking supported
|
|
E3L042782
BDB042782
|
BDBM787013
COCCN1CC[C@H]([C@H]2Nc3cc(F)cc4c3C(=NCC4=O)[C@@H]2c2ccc(F)cc2F)C1
|
C24H24F3N3O2 443.469000 |
HBISPFWDSAJWRS-CBAAJYMTSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787013; PubChem:CID178185418
|
Local ready
Direct docking supported
|
|
E3L042783
BDB042783
|
BDBM787014
O=c1[nH]nc2c3c(cc(F)cc13)N[C@@H](CF)[C@@H]2c1ccc(Cl)cc1F
|
C17H11ClF3N3O 365.742000 |
OCGDMAHTROIHGB-KBPBESRZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787014; PubChem:CID178185419
|
Local ready
Direct docking supported
|
|
E3L042784
BDB042784
|
BDBM787015
O=c1[nH]nc2c3c(cc(F)cc13)N[C@H](C1CC1)[C@H]2c1ccccc1Cl
|
C19H15ClFN3O 355.800000 |
SLDMNVVAGJHJAV-IAGOWNOFSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787015; PubChem:CID170435633
|
Local ready
Direct docking supported
|
|
E3L042785
BDB042785
|
BDBM787016
C[C@H]1Nc2cc(F)cc3c(=O)[nH]nc(c23)[C@@H]1[C@H]1CCCCN1C
|
C17H21FN4O 316.380000 |
BBNOPVRAYOCVBY-FZQKWOKYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787016; PubChem:CID178185420
|
Local ready
Direct docking supported
|
|
E3L042786
BDB042786
|
BDBM787017
O=c1[nH]nc2c3c(cc(F)cc13)NC(C1CCNC1)C2c1ccc(F)cc1F
|
C20H17F3N4O 386.377000 |
LQIIWXCYZRYMDO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787017; PubChem:CID170435550
|
Local ready
Direct docking supported
|
|
E3L042787
BDB042787
|
BDBM787018
O=c1[nH]nc2c3c(cc(F)cc13)NC[C@H]2c1ccc(Cl)cc1F
|
C16H10ClF2N3O 333.725000 |
WOPUSPJZJWSTRS-NSHDSACASA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787018; PubChem:CID170450071
|
Local ready
Direct docking supported
|
|
E3L042788
BDB042788
|
BDBM787019
COCCN1CC[C@@H]([C@H]2Nc3cc(F)cc4c3C(=NCC4=O)[C@@H]2c2ccc(F)cc2F)C1
|
C24H24F3N3O2 443.469000 |
HBISPFWDSAJWRS-HFPHJRROSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787019; PubChem:CID178185421
|
Local ready
Direct docking supported
|
|
E3L042789
BDB042789
|
BDBM787020
COCCN1CC[C@H]([C@@H]2Nc3cc(F)cc4c3C(=NCC4=O)[C@H]2c2ccccc2Cl)C1
|
C24H25ClFN3O2 441.934000 |
GTOYVVJITNBNSI-CVRXJBIPSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787020; PubChem:CID178185422
|
Local ready
Direct docking supported
|
|
E3L042790
BDB042790
|
BDBM787021
O=c1[nH]nc2c3c(cc(F)cc13)NCC2c1ccccc1Cl
|
C16H11ClFN3O 315.735000 |
RFYSQYDUTJSDFP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787021; PubChem:CID170435538
|
Local ready
Direct docking supported
|
|
E3L042791
BDB042791
|
BDBM787022
O=c1[nH]nc2c3c(cc(F)cc13)NC(C1CCNC1)C2c1ccccc1Cl
|
C20H18ClFN4O 384.842000 |
FGYJAUIYNIFHRK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787022; PubChem:CID170435498
|
Local ready
Direct docking supported
|
|
E3L042792
BDB042792
|
BDBM787023
CN1CCC([C@H]2c3n[nH]c(=O)c4cc(F)cc(c34)N[C@@H]2c2c(F)cc(F)cc2F)CC1
|
C22H20F4N4O 432.421000 |
ZWOPNJGGEJQUOZ-XLIONFOSSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787023; PubChem:CID170450090
|
Local ready
Direct docking supported
|
|
E3L042793
BDB042793
|
BDBM787024
O=c1[nH]nc2c3c(cc(F)cc13)NC[C@@H]2c1ccc(Cl)c(F)c1
|
C16H10ClF2N3O 333.725000 |
LKVZPCJMHBKUDR-SNVBAGLBSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787024; PubChem:CID170435460
|
Local ready
Direct docking supported
|
|
E3L042794
BDB042794
|
BDBM787025
COCCN1CC[C@H]([C@H]2Nc3cc(F)cc4c3C(=NCC4=O)[C@@H]2c2ccccc2Cl)C1
|
C24H25ClFN3O2 441.934000 |
GTOYVVJITNBNSI-NYDQNWGQSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787025; PubChem:CID178185423
|
Local ready
Direct docking supported
|
|
E3L042795
BDB042795
|
BDBM787026
O=c1[nH]nc2c3c(cc(F)cc13)NC(C1(F)CC1)[C@H]2c1ccc(Cl)cc1F
|
C19H13ClF3N3O 391.780000 |
IQEONIBNNUBUEH-MYJWUSKBSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787026; PubChem:CID178185424
|
Local ready
Direct docking supported
|
|
E3L042796
BDB042796
|
BDBM787027
O=c1[nH]nc2c3c(cc(F)cc13)NC(C1(F)CC1)[C@H]2c1ccccc1Cl
|
C19H14ClF2N3O 373.790000 |
YGGIIPCRCAYXEY-MYJWUSKBSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787027; PubChem:CID178185425
|
Local ready
Direct docking supported
|
|
E3L042797
BDB042797
|
BDBM787028
O=c1[nH]nc2c3c(cc(F)cc13)N[C@H](C1CCOCC1)[C@H]2c1ccccc1Cl
|
C21H19ClFN3O2 399.853000 |
HPPHBFUUZILXIT-RTBURBONSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787028; PubChem:CID170435452
|
Local ready
Direct docking supported
|
|
E3L042798
BDB042798
|
BDBM787029
N#Cc1ccc([C@H]2c3n[nH]c(=O)c4cc(F)cc(c34)N[C@@H]2C2CCC(F)(F)CC2)cc1F
|
C23H18F4N4O 442.416000 |
MDWDKVNEURUANU-UYAOXDASSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787029; PubChem:CID170450119
|
Local ready
Direct docking supported
|
|
E3L042799
BDB042799
|
BDBM787030
C[C@H]1Nc2cc(F)cc3c(=O)[nH]nc(c23)[C@@H]1[C@@H]1CCCCN1C
|
C17H21FN4O 316.380000 |
BBNOPVRAYOCVBY-IIMNLJJBSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787030; PubChem:CID178185426
|
Local ready
Direct docking supported
|
|
E3L042800
BDB042800
|
BDBM787031
COCCN1CC[C@H]([C@@H]2Nc3cc(F)cc4c3C(=NCC4=O)[C@H]2c2ccc(F)cc2F)C1
|
C24H24F3N3O2 443.469000 |
HBISPFWDSAJWRS-PSVKNFIHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787031; PubChem:CID178185427
|
Local ready
Direct docking supported
|