Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 507.9 BDBM50320171

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))	BDBM50320171 (4-chloro-N-(4-(3-nitrobenzyl)benzyl)-N-(pyridin-2-...) Show SMILES [O-][N+](=O)c1cccc(Cc2ccc(CN(Cc3ccccn3)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 Show InChI InChI=1S/C26H22ClN3O4S/c27-23-11-13-26(14-12-23)35(33,34)29(19-24-5-1-2-15-28-24)18-21-9-7-20(8-10-21)16-22-4-3-6-25(17-22)30(31)32/h1-15,17H,16,18-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	207	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