| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L042761
BDB042761
|
BDBM786992
CN1CCC[C@@H]([C@H]2CNc3cc(F)cc4c(=O)[nH]nc2c34)C1
|
C16H19FN4O 302.353000 |
PPBRXPVMGVPKNB-BXKDBHETSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786992; PubChem:CID170450096
|
Local ready
Direct docking supported
|
|
E3L042762
BDB042762
|
BDBM786993
C[C@@H]1Nc2cc(F)cc3c(=O)[nH]nc(c23)[C@H]1c1ccc(C#N)cc1F
|
C18H12F2N4O 338.317000 |
HYWZPPOPVLBCTQ-VXJOIVPMSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786993; PubChem:CID170450077
|
Local ready
Direct docking supported
|
|
E3L042763
BDB042763
|
BDBM786994
C[C@H]1Nc2cc(F)cc3c(=O)[nH]nc(c23)[C@@H]1c1ccc(F)cc1F
|
C17H12F3N3O 331.297000 |
NICSLXCXZZLZBE-UOWDBTKRSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786994; PubChem:CID170435444
|
Local ready
Direct docking supported
|
|
E3L042764
BDB042764
|
BDBM786995
CN1CCC[C@H]([C@H]2CNc3cc(F)cc4c(=O)[nH]nc2c34)C1
|
C16H19FN4O 302.353000 |
PPBRXPVMGVPKNB-JOYOIKCWSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786995; PubChem:CID178185409
|
Local ready
Direct docking supported
|
|
E3L042765
BDB042765
|
BDBM786996
CN1CCC([C@@H]2CNc3cc(F)cc4c(=O)[nH]nc2c34)CC1
|
C16H19FN4O 302.353000 |
BQSXFRUFFGRROU-LBPRGKRZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786996; PubChem:CID178185410
|
Local ready
Direct docking supported
|
|
E3L042766
BDB042766
|
BDBM786997
C[C@@H]1Nc2cc(F)cc3c(=O)[nH]nc(c23)[C@@H]1[C@H]1CCCCN1C
|
C17H21FN4O 316.380000 |
BBNOPVRAYOCVBY-FZZIBODNSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786997; PubChem:CID178185411
|
Local ready
Direct docking supported
|
|
E3L042767
BDB042767
|
BDBM786998
O=C1CN=C2c3c(cc(F)cc31)NC(C1CCOC1)C2c1ccccc1Cl
|
C21H18ClFN2O2 384.838000 |
APWLKAQLICZKQU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786998; PubChem:CID178185412
|
Local ready
Direct docking supported
|
|
E3L042768
BDB042768
|
BDBM786999
C[C@H]1Nc2cc(F)cc3c(=O)[nH]nc(c23)[C@H]1[C@@H]1CCCN(C)C1
|
C17H21FN4O 316.380000 |
LDVAZENIBWVQQC-GPCCPHFNSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM786999; PubChem:CID178185413
|
Local ready
Direct docking supported
|
|
E3L042769
BDB042769
|
BDBM787000
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:BDBM787000; PubChem:CID170450068
|
Local ready
Direct docking supported
|
|
E3L042770
BDB042770
|
BDBM787001
N#Cc1ccc([C@H]2CNc3cc(F)cc4c(=O)[nH]nc2c34)cc1F
|
C17H10F2N4O 324.290000 |
LVJCDIJHLYTCDR-GFCCVEGCSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787001; PubChem:CID170450065
|
Local ready
Direct docking supported
|
|
E3L042771
BDB042771
|
BDBM787002
O=c1[nH]nc2c3c(cc(F)cc13)NC[C@@H]2c1ccc(F)cc1F
|
C16H10F3N3O 317.270000 |
ZNPPAHQZQIIXMF-LLVKDONJSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787002; PubChem:CID170435526
|
Local ready
Direct docking supported
|
|
E3L042772
BDB042772
|
BDBM787003
O=c1[nH]nc2c3c(cc(F)cc13)NCC2c1ccc(Cl)cc1F
|
C16H10ClF2N3O 333.725000 |
WOPUSPJZJWSTRS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787003; PubChem:CID170450070
|
Local ready
Direct docking supported
|
|
E3L042773
BDB042773
|
BDBM787004
C[C@H]1Nc2cc(F)cc3c(=O)[nH]nc(c23)[C@@H]1[C@@H]1CCCN(C)C1
|
C17H21FN4O 316.380000 |
LDVAZENIBWVQQC-RULNRJAQSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787004; PubChem:CID178185414
|
Local ready
Direct docking supported
|
|
E3L042774
BDB042774
|
BDBM787005
O=c1[nH]nc2c3c(cc(F)cc13)NCC2c1ccc(Cl)c(F)c1
|
C16H10ClF2N3O 333.725000 |
LKVZPCJMHBKUDR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787005; PubChem:CID170435488
|
Local ready
Direct docking supported
|
|
E3L042775
BDB042775
|
BDBM787006
O=c1[nH]nc2c3c(cc(F)cc13)N[C@@H]([C@@H]1CCOC1)[C@@H]2c1ccccc1Cl
|
C20H17ClFN3O2 385.826000 |
VOYPNRVRDSVYTB-APEXYLGGSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787006; PubChem:CID170615399
|
Local ready
Direct docking supported
|
|
E3L042776
BDB042776
|
BDBM787007
C[C@@H]1Nc2cc(F)cc3c(=O)[nH]nc(c23)[C@H]1[C@H]1CCCN(C)C1
|
C17H21FN4O 316.380000 |
LDVAZENIBWVQQC-PKFCDNJMSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787007; PubChem:CID170450106
|
Local ready
Direct docking supported
|
|
E3L042777
BDB042777
|
BDBM787008
CN1CCC([C@@H]2Nc3cc(F)cc4c3C(=NCC4=O)[C@H]2c2ccc(F)cc2F)CC1
|
C23H22F3N3O 413.443000 |
PUBOZFUPCFABRG-VXKWHMMOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787008; PubChem:CID178185415
|
Local ready
Direct docking supported
|
|
E3L042778
BDB042778
|
BDBM787009
CN1CCC[C@H]([C@H]2CNc3cc(F)cc4c(=O)[nH]nc2c34)C1
|
C16H19FN4O 302.353000 |
PPBRXPVMGVPKNB-JOYOIKCWSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787009; PubChem:CID178185409
|
Local ready
Direct docking supported
|
|
E3L042779
BDB042779
|
BDBM787010
O=c1[nH]nc2c3c(cc(F)cc13)NC[C@@H]2c1ccccc1Cl
|
C16H11ClFN3O 315.735000 |
RFYSQYDUTJSDFP-LLVKDONJSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787010; PubChem:CID170435440
|
Local ready
Direct docking supported
|
|
E3L042780
BDB042780
|
BDBM787011
Cc1cc(C)c([C@@H]2c3n[nH]c(=O)c4cc(F)cc(c34)N[C@H]2CC(C)(C)C)c(Cl)c1
|
C23H25ClFN3O 413.924000 |
KJZMPBWUGJHFKW-FXAWDEMLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM787011; PubChem:CID178185416
|
Local ready
Direct docking supported
|