| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L045741
BDB045741
|
BDBM50101105
O=c1[nH]c2ccc(S(=O)(=O)NCCN3CCCCC3)cc2c2ccccc12
|
C20H23N3O3S 385.489000 |
ARUSANLPTCWSKV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50101105; PubChem:CID10224010
|
Local ready
Direct docking supported
|
|
E3L045742
BDB045742
|
6-oxo-5H-phenanthridine-3,8-disulfonic acid
O=c1[nH]c2cc(S(=O)(=O)O)ccc2c2ccc(S(=O)(=O)O)cc12
|
C13H9NO7S2 355.349000 |
DGNVEWQPTRAXEO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50101107; PubChem:CID44291588
|
Local ready
Direct docking supported
|
|
E3L045743
BDB045743
|
BDBM50101108
C[N+](C)(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1
|
C18H20N3O2+ 310.377000 |
JVWYNEZZEUWVPP-UHFFFAOYSA-O | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50101108; PubChem:CID9815170
|
Local ready
Direct docking supported
|
|
E3L045744
BDB045744
|
3,8-Diamino-5H-phenanthridin-6-one
Nc1ccc2c(c1)[nH]c(=O)c1cc(N)ccc12
|
C13H11N3O 225.251000 |
MDTCBXNMVJATBJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50101109; PubChem:CID283716
|
Local ready
Direct docking supported
|
|
E3L045745
BDB045745
|
BDBM50101110
Cc1cccc2c(=O)[nH]c3cc(C(F)(F)F)c(N)cc3c12
|
C15H11F3N2O 292.260000 |
YLLSINQKXQIDCU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50101110; PubChem:CID9922091
|
Local ready
Direct docking supported
|
|
E3L045746
BDB045746
|
BDBM50101111
O=c1[nH]c2ccc(S(=O)(=O)NCC(c3ccccc3)c3ccccc3)cc2c2ccccc12
|
C27H22N2O3S 454.551000 |
YBVDORDETBLWBN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50101111; PubChem:CID44291868
|
Local ready
Direct docking supported
|
|
E3L045747
BDB045747
|
BDBM50101113
COC(=O)c1ccc2c(c1)[nH]c(=O)c1ccccc12
|
C15H11NO3 253.257000 |
VBQPUTKXPMHSTC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50101113; PubChem:CID44291541
|
Local ready
Direct docking supported
|
|
E3L045748
BDB045748
|
BDBM50101114
O=c1[nH]c2cc(S(=O)(=O)O)ccc2c2ccc(F)cc12
|
C13H8FNO4S 293.275000 |
QVLLIIKSJSAYEC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50101114; PubChem:CID10085758
|
Local ready
Direct docking supported
|
|
E3L045749
BDB045749
|
2,3-Diamino-5H-phenanthridin-6-one
Nc1cc2[nH]c(=O)c3ccccc3c2cc1N
|
C13H11N3O 225.251000 |
WGUJBVYCTQXPPK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50101115; PubChem:CID276271
|
Local ready
Direct docking supported
|
|
E3L045750
BDB045750
|
3-Fluoro-10-methyl-5H-phenanthridin-6-one
Cc1cccc2c(=O)[nH]c3cc(F)ccc3c12
|
C14H10FNO 227.238000 |
WEHLYQNQYDVLRY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50101116; PubChem:CID44292118
|
Local ready
Direct docking supported
|
|
E3L045751
BDB045751
|
4-Nitrophenanthridin-6(5h)-one
O=c1[nH]c2c([N+](=O)[O-])cccc2c2ccccc12
|
C13H8N2O3 240.218000 |
PQKGWMHEHBQWIR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50101117; PubChem:CID269083
|
Local ready
Direct docking supported
|
|
E3L045752
BDB045752
|
BDBM50101118
O=C(NCCN1CCOCC1)c1ccc2c(c1)[nH]c(=O)c1ccccc12
|
C20H21N3O3 351.406000 |
SJGOAOFGNIBAOF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50101118; PubChem:CID10132635
|
Local ready
Direct docking supported
|
|
E3L045753
BDB045753
|
6-oxo-5H-phenanthridine-1-carboxylic Acid
O=C(O)c1cccc2[nH]c(=O)c3ccccc3c12
|
C14H9NO3 239.230000 |
XRUOFXBCDCWPNX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50101119; PubChem:CID4438821
|
Local ready
Direct docking supported
|
|
E3L045754
BDB045754
|
BDBM50101120
Cc1cc2[nH]c(=O)c3ccccc3c2cc1NC(=O)C[N+](C)(C)C
|
C19H22N3O2+ 324.404000 |
NSQGMWZOLATALY-UHFFFAOYSA-O | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50101120; PubChem:CID20720942
|
Local ready
Direct docking supported
|
|
E3L045755
BDB045755
|
3,8-Dichloro-6-phenanthridinol
O=c1[nH]c2cc(Cl)ccc2c2ccc(Cl)cc12
|
C13H7Cl2NO 264.111000 |
ULVYYNCKNGTVHX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50101121; PubChem:CID265048
|
Local ready
Direct docking supported
|
|
E3L045756
BDB045756
|
3,8-dinitrophenanthridin-6(5H)-one
O=c1[nH]c2cc([N+](=O)[O-])ccc2c2ccc([N+](=O)[O-])cc12
|
C13H7N3O5 285.215000 |
NFQCBMOTZZLRCE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50101122; PubChem:CID276231
|
Local ready
Direct docking supported
|
|
E3L045757
BDB045757
|
4-Aminophenanthridin-6(5h)-one
Nc1cccc2c1[nH]c(=O)c1ccccc12
|
C13H10N2O 210.236000 |
SWPBPTPKUYDBKQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50101123; PubChem:CID269082
|
Local ready
Direct docking supported
|
|
E3L045758
BDB045758
|
8-fluoro-6-oxo-5H-phenanthridine-3-carboxylic acid
O=C(O)c1ccc2c(c1)[nH]c(=O)c1cc(F)ccc12
|
C14H8FNO3 257.220000 |
CLCVKYYVZUKNJI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50101124; PubChem:CID9834914
|
Local ready
Direct docking supported
|
|
E3L045759
BDB045759
|
BDBM50101125
O=C(NCCc1ccccc1)c1ccc2c(c1)[nH]c(=O)c1cc(F)ccc12
|
C22H17FN2O2 360.388000 |
ZYYFYOJMSXGBHS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50101125; PubChem:CID10155422
|
Local ready
Direct docking supported
|
|
E3L045760
BDB045760
|
BDBM50101126
Cc1cccc2c(O)nc3cc(C(F)(F)F)c([N+](=O)[O-])cc3c12
|
C15H9F3N2O3 322.242000 |
RTDQMBGKQKSUII-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50101126; PubChem:CID44292100
|
Local ready
Direct docking supported
|