| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L042721
BDB042721
|
BDBM786952
O=c1[nH]nc2c3c(cc(F)cc13)NC(C1(F)CC1)C2c1ccc(Cl)cc1F
|
C19H13ClF3N3O 391.780000 |
IQEONIBNNUBUEH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786952; PubChem:CID170450137
|
Local ready
Direct docking supported
|
|
E3L042722
BDB042722
|
BDBM786953
O=c1[nH]nc2c3c(cc(F)cc13)NC(C1CCN(C3CCC(F)(F)CC3)CC1)C2c1ccc(F)cc1F
|
C27H27F5N4O 518.530000 |
SOKOOSPIIGVCRF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786953; PubChem:CID170450155
|
Local ready
Direct docking supported
|
|
E3L042723
BDB042723
|
BDBM786954
O=c1[nH]nc2c3c(cc(F)cc13)N[C@@H](C1(F)CC1)[C@@H]2c1ccc(Cl)cc1F
|
C19H13ClF3N3O 391.780000 |
IQEONIBNNUBUEH-NVXWUHKLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786954; PubChem:CID170450138
|
Local ready
Direct docking supported
|
|
E3L042724
BDB042724
|
BDBM786955
O=c1[nH]nc2c3c(cc(F)cc13)N[C@@H](C1CC1)[C@@H]2c1ccccc1Cl
|
C19H15ClFN3O 355.800000 |
SLDMNVVAGJHJAV-IRXDYDNUSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786955; PubChem:CID170435484
|
Local ready
Direct docking supported
|
|
E3L042725
BDB042725
|
BDBM786956
CC[C@@H]1Nc2cc(F)cc3c(=O)[nH]nc(c23)[C@H]1c1ccccc1Cl
|
C18H15ClFN3O 343.789000 |
YALXPBQMWMIVMD-ZFWWWQNUSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786956; PubChem:CID170435446
|
Local ready
Direct docking supported
|
|
E3L042726
BDB042726
|
BDBM786957
O=c1[nH]nc2c3c(cc(F)cc13)N[C@@H](C1CCN(C3CCC(F)(F)CC3)CC1)[C@@H]2c1ccc(F)cc1F
|
C27H27F5N4O 518.530000 |
SOKOOSPIIGVCRF-ZEQRLZLVSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786957; PubChem:CID170450156
|
Local ready
Direct docking supported
|
|
E3L042727
BDB042727
|
BDBM786958
O=c1[nH]nc2c3c(cc(F)cc13)N[C@H](CF)[C@H]2c1ccc(Cl)cc1F
|
C17H11ClF3N3O 365.742000 |
OCGDMAHTROIHGB-ZIAGYGMSSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786958; PubChem:CID170450136
|
Local ready
Direct docking supported
|
|
E3L042728
BDB042728
|
BDBM786959
C[C@@H]1Nc2cc(F)cc3c(=O)[nH]nc(c23)[C@H]1c1ccc(F)cc1F
|
C17H12F3N3O 331.297000 |
NICSLXCXZZLZBE-JKYUHCHBSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786959; PubChem:CID170435506
|
Local ready
Direct docking supported
|
|
E3L042729
BDB042729
|
BDBM786960
CC1Nc2cc(F)cc3c(=O)[nH]nc(c23)C1c1ccc(Cl)cc1F
|
C17H12ClF2N3O 347.752000 |
UKZMLJSOYNCMBD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786960; PubChem:CID178185399
|
Local ready
Direct docking supported
|
|
E3L042730
BDB042730
|
BDBM786961
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:BDBM786961; PubChem:CID170450067
|
Local ready
Direct docking supported
|
|
E3L042731
BDB042731
|
BDBM786962
CC(=O)N1CCC([C@@H]2Nc3cc(F)cc4c(=O)[nH]nc(c34)[C@H]2c2ccccc2Cl)CC1
|
C23H22ClFN4O2 440.906000 |
YJAAVHMZONGOFP-SFTDATJTSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786962; PubChem:CID170450134
|
Local ready
Direct docking supported
|
|
E3L042732
BDB042732
|
BDBM786963
CC[C@H]1Nc2cc(F)cc3c(=O)[nH]nc(c23)[C@@H]1c1ccccc1Cl
|
C18H15ClFN3O 343.789000 |
YALXPBQMWMIVMD-UKRRQHHQSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786963; PubChem:CID170435450
|
Local ready
Direct docking supported
|
|
E3L042733
BDB042733
|
BDBM786964
C[C@H]1Nc2cc(F)cc3c(=O)[nH]nc(c23)C1c1ccc(Cl)cc1F
|
C17H12ClF2N3O 347.752000 |
UKZMLJSOYNCMBD-SKKCEABJSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786964; PubChem:CID178185400
|
Local ready
Direct docking supported
|
|
E3L042734
BDB042734
|
BDBM786965
N#Cc1ccc([C@H]2CNc3cc(F)cc4c(=O)[nH]nc2c34)c(F)c1
|
C17H10F2N4O 324.290000 |
RGCODQZHSZLWAU-GFCCVEGCSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786965; PubChem:CID170450068
|
Local ready
Direct docking supported
|
|
E3L042735
BDB042735
|
BDBM786966
O=C1CN=C2c3c(cc(F)cc31)N[C@H]([C@H]1CCOC1)[C@H]2c1ccc(F)cc1F
|
C21H17F3N2O2 386.373000 |
LVJBHKRKTOAGIB-BHHOUSDISA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786966; PubChem:CID178185401
|
Local ready
Direct docking supported
|
|
E3L042736
BDB042736
|
BDBM786967
C[C@H]1Nc2cc(F)cc3c(=O)[nH]nc(c23)[C@@H]1c1ccccc1Cl
|
C17H13ClFN3O 329.762000 |
QWIMCQGOOFLAOD-CLAHSXSESA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786967; PubChem:CID170450061
|
Local ready
Direct docking supported
|
|
E3L042737
BDB042737
|
BDBM786968
N#Cc1ccc([C@H]2c3n[nH]c(=O)c4cc(F)cc(c34)N[C@@H]2c2c(F)cc(F)cc2F)cc1F
|
C23H11F5N4O 454.358000 |
QDFLQYSDXMHQRP-NQIIRXRSSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786968; PubChem:CID170435437
|
Local ready
Direct docking supported
|
|
E3L042738
BDB042738
|
BDBM786969
N#Cc1ccc([C@@H]2c3n[nH]c(=O)c4cc(F)cc(c34)N[C@H]2c2c(F)cc(F)cc2F)cc1F
|
C23H11F5N4O 454.358000 |
QDFLQYSDXMHQRP-GHTZIAJQSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786969; PubChem:CID170435599
|
Local ready
Direct docking supported
|
|
E3L042739
BDB042739
|
BDBM786970
O=c1[nH]nc2c3c(cc(F)cc13)NC(COCc1ccccc1)C2c1ccc(F)cc1F
|
C24H18F3N3O2 437.421000 |
LSWCIPJNADKCDV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786970; PubChem:CID170450151
|
Local ready
Direct docking supported
|
|
E3L042740
BDB042740
|
BDBM786971
O=c1[nH]nc2c3c(cc(F)cc13)NC(C1CCC(F)(F)CC1)C2c1c(F)cc(F)cc1F
|
C22H17F6N3O 453.386000 |
VMPMKDUBSLLQEW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786971; PubChem:CID170615490
|
Local ready
Direct docking supported
|