Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 548.0 BDBM50175171

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))	BDBM50175171 (4-(2-(3-chlorobenzamido)-4-(phenethylcarbamoyl)phe...) Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C30H34ClN5O3/c1-2-32-30(39)36-17-7-16-35(18-19-36)27-13-12-24(28(37)33-15-14-22-8-4-3-5-9-22)21-26(27)34-29(38)23-10-6-11-25(31)20-23/h3-6,8-13,20-21H,2,7,14-19H2,1H3,(H,32,39)(H,33,37)(H,34,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia Drug Discovery, Inc. Curated by ChEMBL					Assay Description Inhibition of CXCL11-stimulated calcium release in HEK293 cells expressing recombinant human CXCR3 and chimeric G protein Gqi5				Bioorg Med Chem Lett 16: 200-3 (2005) Article DOI: 10.1016/j.bmcl.2005.09.020 BindingDB Entry DOI: 10.7270/Q29Z94GD
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