Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 501.9 BDBM50320162

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))	BDBM50320162 (CHEMBL1083310 | N-(4-(1H-tetrazol-5-yl)benzyl)-N-(...) Show SMILES CC(C)(C)c1nc(CCN(Cc2ccc(cc2)-c2nnn[nH]2)S(=O)(=O)c2ccc(Cl)cc2)no1 Show InChI InChI=1S/C22H24ClN7O3S/c1-22(2,3)21-24-19(27-33-21)12-13-30(34(31,32)18-10-8-17(23)9-11-18)14-15-4-6-16(7-5-15)20-25-28-29-26-20/h4-11H,12-14H2,1-3H3,(H,25,26,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	254	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