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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50296553'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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))		BDBM50296553
PNG
(CHEMBL563634 | N-(2-(6-oxo-6,7,8,9-tetrahydro-3H-p...)
Show SMILES O=C(NCCc1c[nH]c2ccc3C(=O)NCCc3c12)C1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C23H26N6O2/c30-21(15-6-12-29(13-7-15)23-26-8-1-9-27-23)24-10-4-16-14-28-19-3-2-18-17(20(16)19)5-11-25-22(18)31/h1-3,8-9,14-15,28H,4-7,10-13H2,(H,24,30)(H,25,31)
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Similars
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



IRBM--Merck Research Laboratories Rome

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human HeLa cells by microplate scintillation counting

Bioorg Med Chem Lett 19: 4042-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.031
BindingDB Entry DOI: 10.7270/Q2WH2Q09
More data for this
Ligand-Target Pair