| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L042741
BDB042741
|
BDBM786972
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:BDBM786972; PubChem:CID170450071
|
Local ready
Direct docking supported
|
|
E3L042742
BDB042742
|
BDBM786973
CC(C)[C@H]1Nc2cc(F)cc3c(=O)[nH]nc(c23)[C@H]1c1ccccc1Cl
|
C19H17ClFN3O 357.816000 |
VZTYBKHWGSTWCU-DLBZAZTESA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786973; PubChem:CID178185402
|
Local ready
Direct docking supported
|
|
E3L042743
BDB042743
|
BDBM786974
C[C@@H]1Nc2cc(F)cc3c(=O)[nH]nc(c23)[C@H]1c1ccccc1Cl
|
C17H13ClFN3O 329.762000 |
QWIMCQGOOFLAOD-RMLUDKJBSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786974; PubChem:CID170450062
|
Local ready
Direct docking supported
|
|
E3L042744
BDB042744
|
BDBM786975
CC(C)[C@@H]1Nc2cc(F)cc3c(=O)[nH]nc(c23)[C@H]1c1c(F)cc(F)cc1F
|
C19H15F4N3O 377.341000 |
LUXUVPNNFWGEAL-IRXDYDNUSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786975; PubChem:CID170450129
|
Local ready
Direct docking supported
|
|
E3L042745
BDB042745
|
BDBM786976
N#Cc1ccc([C@@H]2c3n[nH]c(=O)c4cc(F)cc(c34)N[C@H]2C2CCC(F)(F)CC2)cc1F
|
C23H18F4N4O 442.416000 |
MDWDKVNEURUANU-ICSRJNTNSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786976; PubChem:CID178185403
|
Local ready
Direct docking supported
|
|
E3L042746
BDB042746
|
BDBM786977
C[C@H]1Nc2cc(F)cc3c(=O)[nH]nc(c23)C1c1ccc(Cl)c(F)c1
|
C17H12ClF2N3O 347.752000 |
ORNDANAUYHWLIW-SKKCEABJSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786977; PubChem:CID178185404
|
Local ready
Direct docking supported
|
|
E3L042747
BDB042747
|
BDBM786978
CN1CCCC[C@@H]1[C@H]1CNc2cc(F)cc3c(=O)[nH]nc1c23
|
C16H19FN4O 302.353000 |
LHESOVFEHMKIBO-DGCLKSJQSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786978; PubChem:CID170450099
|
Local ready
Direct docking supported
|
|
E3L042748
BDB042748
|
BDBM786979
CC(C)[C@H]1Nc2cc(F)cc3c(=O)[nH]nc(c23)[C@@H]1c1ccccc1Cl
|
C19H17ClFN3O 357.816000 |
VZTYBKHWGSTWCU-IAGOWNOFSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786979; PubChem:CID178185405
|
Local ready
Direct docking supported
|
|
E3L042749
BDB042749
|
BDBM786980
N#Cc1ccc([C@@H]2CNc3cc(F)cc4c(=O)[nH]nc2c34)c(F)c1
|
C17H10F2N4O 324.290000 |
RGCODQZHSZLWAU-LBPRGKRZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786980; PubChem:CID170450067
|
Local ready
Direct docking supported
|
|
E3L042750
BDB042750
|
BDBM786981
C[C@@H]1Nc2cc(F)cc3c(=O)[nH]nc(c23)[C@H]1[C@@H]1CCCCN1C
|
C17H21FN4O 316.380000 |
BBNOPVRAYOCVBY-QCZZGDTMSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786981; PubChem:CID170615392
|
Local ready
Direct docking supported
|
|
E3L042751
BDB042751
|
BDBM786982
C[C@@H]1Nc2cc(F)cc3c(=O)[nH]nc(c23)C1c1ccc(Cl)c(F)c1
|
C17H12ClF2N3O 347.752000 |
ORNDANAUYHWLIW-CVSPRKDYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786982; PubChem:CID178185406
|
Local ready
Direct docking supported
|
|
E3L042752
BDB042752
|
BDBM786983
O=c1[nH]nc2c3c(cc(F)cc13)NC[C@H]2c1ccccn1
|
C15H11FN4O 282.278000 |
LNDSCANPGFXWQQ-JTQLQIEISA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786983; PubChem:CID178185407
|
Local ready
Direct docking supported
|
|
E3L042753
BDB042753
|
BDBM786984
CN1CCCC[C@@H]1[C@@H]1CNc2cc(F)cc3c(=O)[nH]nc1c23
|
C16H19FN4O 302.353000 |
LHESOVFEHMKIBO-WCQYABFASA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786984; PubChem:CID170450097
|
Local ready
Direct docking supported
|
|
E3L042754
BDB042754
|
BDBM786985
C[C@@H]1Nc2cc(F)cc3c(=O)[nH]nc(c23)[C@H]1c1ccc(Cl)c(F)c1
|
C17H12ClF2N3O 347.752000 |
ORNDANAUYHWLIW-JKYUHCHBSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786985; PubChem:CID170435527
|
Local ready
Direct docking supported
|
|
E3L042755
BDB042755
|
BDBM786986
O=c1[nH]nc2c3c(cc(F)cc13)NC[C@H]2c1ccc(Cl)c(F)c1
|
C16H10ClF2N3O 333.725000 |
LKVZPCJMHBKUDR-JTQLQIEISA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786986; PubChem:CID170435525
|
Local ready
Direct docking supported
|
|
E3L042756
BDB042756
|
BDBM786987
O=c1[nH]nc2c3c(cc(F)cc13)NC[C@@H]2c1ccc(Cl)cc1F
|
C16H10ClF2N3O 333.725000 |
WOPUSPJZJWSTRS-LLVKDONJSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786987; PubChem:CID170450072
|
Local ready
Direct docking supported
|
|
E3L042757
BDB042757
|
BDBM786988
N#Cc1ccc([C@H]2c3n[nH]c(=O)c4cc(F)cc(c34)N[C@@H]2C2CCN(C3CCC(F)(F)CC3)CC2)c(F)c1
|
C28H27F4N5O 525.550000 |
RZHKFVGHLITIAJ-JWQCQUIFSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM786988
|
Local ready
Direct docking supported
|
|
E3L042758
BDB042758
|
BDBM786989
O=c1[nH]nc2c3c(cc(F)cc13)N[C@@H](c1c(F)cc(F)cc1F)[C@@H]2C1CCNCC1
|
C21H18F4N4O 418.394000 |
GDJPFCXVQZBNPP-QFBILLFUSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786989; PubChem:CID170450088
|
Local ready
Direct docking supported
|
|
E3L042759
BDB042759
|
BDBM786990
O=c1[nH]nc2c3c(cc(F)cc13)N[C@H]([C@H]1CCOC1)[C@H]2c1ccccc1Cl
|
C20H17ClFN3O2 385.826000 |
VOYPNRVRDSVYTB-UFMUVLMGSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786990; PubChem:CID170450060
|
Local ready
Direct docking supported
|
|
E3L042760
BDB042760
|
BDBM786991
O=c1[nH]nc2c3c(cc(F)cc13)NCC2c1ccc(F)cc1F
|
C16H10F3N3O 317.270000 |
ZNPPAHQZQIIXMF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786991; PubChem:CID170435514
|
Local ready
Direct docking supported
|