Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 608.1 BDBM50175163

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))	BDBM50175163 (4-(4-((3,4-dimethoxyphenethyl)carbamoyl)-2-(3-chlo...) Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccc(OC)c(OC)c1 Show InChI InChI=1S/C32H38ClN5O5/c1-4-34-32(41)38-16-6-15-37(17-18-38)27-11-10-24(21-26(27)36-31(40)23-7-5-8-25(33)20-23)30(39)35-14-13-22-9-12-28(42-2)29(19-22)43-3/h5,7-12,19-21H,4,6,13-18H2,1-3H3,(H,34,41)(H,35,39)(H,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	420	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
					More data for this Ligand-Target Pair