Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 645.0 BDBM50175193

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))	BDBM50175193 (4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3-chlor...) Show SMILES CCCCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C32H36Cl3N5O3/c1-2-3-13-37-32(43)40-16-5-15-39(17-18-40)29-11-9-24(20-28(29)38-31(42)23-6-4-7-25(33)19-23)30(41)36-14-12-22-8-10-26(34)21-27(22)35/h4,6-11,19-21H,2-3,5,12-18H2,1H3,(H,36,41)(H,37,43)(H,38,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	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