Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 582.5 BDBM50175164

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))	BDBM50175164 (4-(4-((2-chlorophenethyl)carbamoyl)-2-(3-chloroben...) Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccccc1Cl Show InChI InChI=1S/C30H33Cl2N5O3/c1-2-33-30(40)37-16-6-15-36(17-18-37)27-12-11-23(28(38)34-14-13-21-7-3-4-10-25(21)32)20-26(27)35-29(39)22-8-5-9-24(31)19-22/h3-5,7-12,19-20H,2,6,13-18H2,1H3,(H,33,40)(H,34,38)(H,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	190	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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