Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 469.9 BDBM50320159

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))	BDBM50320159 (CHEMBL1082660 | N-(4-(1H-tetrazol-5-yl)benzyl)-4-c...) Show SMILES COc1cccc(CN(Cc2ccc(cc2)-c2nnn[nH]2)S(=O)(=O)c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C22H20ClN5O3S/c1-31-20-4-2-3-17(13-20)15-28(32(29,30)21-11-9-19(23)10-12-21)14-16-5-7-18(8-6-16)22-24-26-27-25-22/h2-13H,14-15H2,1H3,(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	1.46E+3	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
					More data for this Ligand-Target Pair