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SMILES: CCC(=O)N1CCN(CC1)C(=O)c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F

InChI Key: InChIKey=NNKKJYKDPPOMRJ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50309377   
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))		BDBM50309377
PNG
(6,7-dichloro-4-(4-fluoro-3-(4-propionylpiperazine-...)
Show SMILES CCC(=O)N1CCN(CC1)C(=O)c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F
Show InChI InChI=1S/C22H21Cl2FN4O3/c1-2-19(30)27-5-7-28(8-6-27)22(32)15-10-13(3-4-17(15)25)9-14-12-26-21(31)18-11-16(23)20(24)29(14)18/h3-4,10-12H,2,5-9H2,1H3,(H,26,31)
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PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



IRBM/Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter

Bioorg Med Chem Lett 20: 1094-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P
More data for this
Ligand-Target Pair