| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L042801
BDB042801
|
BDBM787032
CN1CCC([C@@H]2Nc3cc(F)cc4c(=O)[nH]nc(c34)[C@H]2c2ccccc2Cl)CC1
|
C22H22ClFN4O 412.896000 |
MKHRJMRAFGSGPS-PMACEKPBSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787032; PubChem:CID170436118
|
Local ready
Direct docking supported
|
|
E3L042802
BDB042802
|
BDBM787033
O=c1[nH]nc2c3c(cc(F)cc13)N[C@@H](C1CCC(F)(F)CC1)[C@@H]2c1ccccc1Cl
|
C22H19ClF3N3O 433.861000 |
VORCVKQERBUUBP-OALUTQOASA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787033; PubChem:CID170615483
|
Local ready
Direct docking supported
|
|
E3L042803
BDB042803
|
BDBM787034
O=c1[nH]nc2c3c(cc(F)cc13)N[C@@H](C1CCOCC1)[C@@H]2c1ccccc1Cl
|
C21H19ClFN3O2 399.853000 |
HPPHBFUUZILXIT-OALUTQOASA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787034; PubChem:CID170435456
|
Local ready
Direct docking supported
|
|
E3L042804
BDB042804
|
BDBM787035
COCCN1CCC(C2Nc3cc(F)cc4c3C(=NCC4=O)C2c2ccc(F)cc2F)C1
|
C24H24F3N3O2 443.469000 |
HBISPFWDSAJWRS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787035; PubChem:CID178185428
|
Local ready
Direct docking supported
|
|
E3L042805
BDB042805
|
BDBM787036
O=C1CN=C2c3c(cc(F)cc31)N[C@H]([C@@H]1CCOC1)[C@H]2c1ccc(F)cc1F
|
C21H17F3N2O2 386.373000 |
LVJBHKRKTOAGIB-WPYVFCFSSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787036; PubChem:CID178185429
|
Local ready
Direct docking supported
|
|
E3L042806
BDB042806
|
BDBM787037
O=c1[nH]nc2c3c(cc(F)cc13)N[C@H]([C@@H]1CCOC1)[C@H]2c1ccccc1Cl
|
C20H17ClFN3O2 385.826000 |
VOYPNRVRDSVYTB-AQQIJUCISA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787037; PubChem:CID170615451
|
Local ready
Direct docking supported
|
|
E3L042807
BDB042807
|
BDBM787038
N#Cc1ccc([C@@H]2CNc3cc(F)cc4c(=O)[nH]nc2c34)cc1F
|
C17H10F2N4O 324.290000 |
LVJCDIJHLYTCDR-LBPRGKRZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787038; PubChem:CID170450064
|
Local ready
Direct docking supported
|
|
E3L042808
BDB042808
|
BDBM787039
CC1Nc2cc(F)cc3c(=O)[nH]nc(c23)C1C1CCCN(C)C1
|
C17H21FN4O 316.380000 |
LDVAZENIBWVQQC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787039; PubChem:CID170450103
|
Local ready
Direct docking supported
|
|
E3L042809
BDB042809
|
BDBM787040
O=C1CN=C2c3c(cc(F)cc31)N[C@@H]([C@H]1CCOC1)[C@@H]2c1ccc(F)cc1F
|
C21H17F3N2O2 386.373000 |
LVJBHKRKTOAGIB-KEPYVXIBSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787040; PubChem:CID178185430
|
Local ready
Direct docking supported
|
|
E3L042810
BDB042810
|
BDBM787041
O=c1[nH]nc2c3c(cc(F)cc13)NC[C@H]2c1ccc(F)cc1F
|
C16H10F3N3O 317.270000 |
ZNPPAHQZQIIXMF-NSHDSACASA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787041; PubChem:CID170435489
|
Local ready
Direct docking supported
|
|
E3L042811
BDB042811
|
BDBM787042
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:BDBM787042
|
Local ready
Direct docking supported
|
|
E3L042812
BDB042812
|
BDBM787043
COCCN1CC[C@@H]([C@H]2Nc3cc(F)cc4c3C(=NCC4=O)[C@@H]2c2ccccc2Cl)C1
|
C24H25ClFN3O2 441.934000 |
GTOYVVJITNBNSI-BQKRCXSJSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787043; PubChem:CID178185431
|
Local ready
Direct docking supported
|
|
E3L042813
BDB042813
|
BDBM787044
O=c1[nH]nc2c3c(cc(F)cc13)N[C@@H](C1CCN(C3CCC(F)(F)CC3)CC1)[C@@H]2c1ccccc1Cl
|
C27H28ClF3N4O 516.995000 |
OZPPIJYNCJCLIL-ZEQRLZLVSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787044; PubChem:CID178185432
|
Local ready
Direct docking supported
|
|
E3L042814
BDB042814
|
BDBM787045
O=c1[nH]nc2c3c(cc(F)cc13)N[C@H](C1CCC(F)(F)CC1)[C@H]2c1ccccc1Cl
|
C22H19ClF3N3O 433.861000 |
VORCVKQERBUUBP-RTBURBONSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787045; PubChem:CID178185433
|
Local ready
Direct docking supported
|
|
E3L042815
BDB042815
|
BDBM787046
O=c1[nH]nc2c3c(cc(F)cc13)N[C@@H](C1CCC(F)(F)CC1)[C@@H]2c1c(F)cc(F)cc1F
|
C22H17F6N3O 453.386000 |
VMPMKDUBSLLQEW-OALUTQOASA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787046; PubChem:CID178185434
|
Local ready
Direct docking supported
|
|
E3L042816
BDB042816
|
BDBM787047
Cn1ncnc1C1c2n[nH]c(=O)c3cc(F)cc(c23)NC1C1CCC(F)(F)CC1
|
C19H19F3N6O 404.396000 |
YLPQPBIGILFUNB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787047; PubChem:CID178185435
|
Local ready
Direct docking supported
|
|
E3L042817
BDB042817
|
BDBM787048
C[C@H]1Nc2cc(F)cc3c(=O)[nH]nc(c23)[C@@H]1C1CCN(C)CC1
|
C17H21FN4O 316.380000 |
PMWZSRQFGKRTDK-OTYXRUKQSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787048; PubChem:CID170450101
|
Local ready
Direct docking supported
|
|
E3L042818
BDB042818
|
BDBM787049
CC(C)(C)C[C@H]1Nc2cc(F)cc3c(=O)[nH]nc(c23)[C@@H]1c1c(F)cc(F)cc1F
|
C21H19F4N3O 405.395000 |
WITBUDKXTVKOLX-QAPCUYQASA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787049; PubChem:CID170450126
|
Local ready
Direct docking supported
|
|
E3L042819
BDB042819
|
BDBM787050
COCCN1CCC(C2Nc3cc(F)cc4c3C(=NCC4=O)C2c2ccccc2Cl)C1
|
C24H25ClFN3O2 441.934000 |
GTOYVVJITNBNSI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787050; PubChem:CID178185436
|
Local ready
Direct docking supported
|
|
E3L042820
BDB042820
|
BDBM787051
O=c1[nH]nc2c3c(cc(F)cc13)NC(COCc1ccccc1)C2c1ccccc1Cl
|
C24H19ClFN3O2 435.886000 |
NTPNQIYMPXUPKX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787051; PubChem:CID170450143
|
Local ready
Direct docking supported
|