Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 3' and Ligand = 'BDBM50320155'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50320155 (CHEMBL1086590 | N-(4-(1H-tetrazol-5-yl)benzyl)-4-c...) Show SMILES Clc1ccc(CN(Cc2ccc(cc2)-c2nnn[nH]2)S(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C21H17Cl2N5O2S/c22-18-7-3-16(4-8-18)14-28(31(29,30)20-11-9-19(23)10-12-20)13-15-1-5-17(6-2-15)21-24-26-27-25-21/h1-12H,13-14H2,(H,24,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	882	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in mouse L1.2 cells assessed as inhibition of IP10-induced chemotaxis after 4 hrs				Bioorg Med Chem Lett 20: 3614-7 (2010) Article DOI: 10.1016/j.bmcl.2010.04.113 BindingDB Entry DOI: 10.7270/Q2668DDX
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