Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 602.9 BDBM50175181

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))	BDBM50175181 (4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(3-chlor...) Show SMILES CNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NCCc1ccc(Cl)cc1Cl Show InChI InChI=1S/C29H30Cl3N5O3/c1-33-29(40)37-13-3-12-36(14-15-37)26-9-7-21(17-25(26)35-28(39)20-4-2-5-22(30)16-20)27(38)34-11-10-19-6-8-23(31)18-24(19)32/h2,4-9,16-18H,3,10-15H2,1H3,(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	800	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