Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 462.9 BDBM50320170

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))	BDBM50320170 (CHEMBL1086280 | N-(4-benzylbenzyl)-4-chloro-N-(pyr...) Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccc(Cc2ccccc2)cc1)Cc1ccccn1 Show InChI InChI=1S/C26H23ClN2O2S/c27-24-13-15-26(16-14-24)32(30,31)29(20-25-8-4-5-17-28-25)19-23-11-9-22(10-12-23)18-21-6-2-1-3-7-21/h1-17H,18-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	216	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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