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SMILES: O=C1NCCc2c([nH]c3cccc1c23)-c1ccc(Cn2cccc2)cc1

InChI Key: InChIKey=ZLFVDICCMDJJIP-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50120706   
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))		BDBM50120706
PNG
(2-(4-Pyrrol-1-ylmethyl-phenyl)-1,3,4,5-tetrahydro-...)
Show SMILES O=C1NCCc2c([nH]c3cccc1c23)-c1ccc(Cn2cccc2)cc1
Show InChI InChI=1S/C22H19N3O/c26-22-18-4-3-5-19-20(18)17(10-11-23-22)21(24-19)16-8-6-15(7-9-16)14-25-12-1-2-13-25/h1-9,12-13,24H,10-11,14H2,(H,23,26)
PDB
MMDB

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars
PubMed
 6n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound towards human Poly (ADP-ribose) polymerase 1 (PARP-1)

J Med Chem 45: 4961-74 (2002)


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