Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 460.5 BDBM50320141

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))	BDBM50320141 (4-((4-cyano-N-(pyridin-2-ylmethyl)phenylsulfonamid...) Show SMILES O=C(NCC1CC1)c1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C25H24N4O3S/c26-15-19-8-12-24(13-9-19)33(31,32)29(18-23-3-1-2-14-27-23)17-21-6-10-22(11-7-21)25(30)28-16-20-4-5-20/h1-3,6-14,20H,4-5,16-18H2,(H,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	360	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