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BDBM50145140 CHEMBL3763497

SMILES: Cn1ncnc1C1C(Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccccc1

InChI Key: InChIKey=RJXIQUMBMLJTTJ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50145140   
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))		BDBM50145140
PNG
(CHEMBL3763497)
Show SMILES Cn1ncnc1C1C(Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccccc1
Show InChI InChI=1S/C19H15FN6O/c1-26-18(21-9-22-26)15-16(10-5-3-2-4-6-10)23-13-8-11(20)7-12-14(13)17(15)24-25-19(12)27/h2-9,15-16,23H,1H3,(H,25,27)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.60n/an/an/an/an/an/a



BioMarin Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PARP1 using [3H]NAD as substrate after 1 min by microplate scintillation counting analysis

J Med Chem 59: 335-57 (2016)


BindingDB Entry DOI: 10.7270/Q2K35WJR
More data for this
Ligand-Target Pair