Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 475.8 BDBM50320166

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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))	BDBM50320166 (4-chloro-N-(3-fluoro-4-(1H-tetrazol-5-yl)benzyl)-N...) Show SMILES Fc1ccccc1CN(Cc1ccc(-c2nnn[nH]2)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H16ClF2N5O2S/c22-16-6-8-17(9-7-16)32(30,31)29(13-15-3-1-2-4-19(15)23)12-14-5-10-18(20(24)11-14)21-25-27-28-26-21/h1-11H,12-13H2,(H,25,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	157	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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