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SMILES: Cc1cc(NCc2cccc(Cl)c2)c2cccc(C(N)=O)c2n1

InChI Key: InChIKey=XINRIYBDTOUMKU-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50111020   
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
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1


(Homo sapiens (Human))		BDBM50111020
PNG
(CHEMBL3604708)
Show SMILES Cc1cc(NCc2cccc(Cl)c2)c2cccc(C(N)=O)c2n1
Show InChI InChI=1S/C18H16ClN3O/c1-11-8-16(21-10-12-4-2-5-13(19)9-12)14-6-3-7-15(18(20)23)17(14)22-11/h2-9H,10H2,1H3,(H2,20,23)(H,21,22)
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PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CD38 extracellular domain expressed in Pichia pastoris using CHAPS and NAD by colorimetric-based assay

J Med Chem 58: 7021-56 (2015)


BindingDB Entry DOI: 10.7270/Q2542QCX
More data for this
Ligand-Target Pair