Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 500.6 BDBM50320135

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))	BDBM50320135 (CHEMBL1085258 | N-benzyl-4-((N-benzyl-4-methoxyphe...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)Cc1ccc(cc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C29H28N2O4S/c1-35-27-16-18-28(19-17-27)36(33,34)31(21-24-10-6-3-7-11-24)22-25-12-14-26(15-13-25)29(32)30-20-23-8-4-2-5-9-23/h2-19H,20-22H2,1H3,(H,30,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	347	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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