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BDBM50120730 6-Oxo-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-2-carbonitrile::CHEMBL147054

SMILES: O=C1NCCc2c([nH]c3cccc1c23)C#N

InChI Key: InChIKey=HBZGWQIGAVXYTC-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50120730   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50120730
PNG
(6-Oxo-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indol...)
Show SMILES O=C1NCCc2c([nH]c3cccc1c23)C#N
Show InChI InChI=1S/C12H9N3O/c13-6-10-7-4-5-14-12(16)8-2-1-3-9(15-10)11(7)8/h1-3,15H,4-5H2,(H,14,16)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
11n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards human poly(ADP-ribose) polymerase 1 (PARP-1).


J Med Chem 45: 4961-74 (2002)


Article DOI: 10.1021/jm020259n
BindingDB Entry DOI: 10.7270/Q2T152ZP
More data for this
Ligand-Target Pair