Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 564.0 BDBM50320133

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))	BDBM50320133 (4-((N-benzyl-4-chlorophenylsulfonamido)methyl)-N-(...) Show SMILES [O-][N+](=O)c1cccc(CCNC(=O)c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 Show InChI InChI=1S/C29H26ClN3O5S/c30-26-13-15-28(16-14-26)39(37,38)32(20-23-5-2-1-3-6-23)21-24-9-11-25(12-10-24)29(34)31-18-17-22-7-4-8-27(19-22)33(35)36/h1-16,19H,17-18,20-21H2,(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.45E+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
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