Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 486.0 BDBM50175160

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))	BDBM50175160 (4-(2-(3-chlorobenzamido)-4-(isopropylcarbamoyl)phe...) Show SMILES CCNC(=O)N1CCCN(CC1)c1ccc(cc1NC(=O)c1cccc(Cl)c1)C(=O)NC(C)C Show InChI InChI=1S/C25H32ClN5O3/c1-4-27-25(34)31-12-6-11-30(13-14-31)22-10-9-19(23(32)28-17(2)3)16-21(22)29-24(33)18-7-5-8-20(26)15-18/h5,7-10,15-17H,4,6,11-14H2,1-3H3,(H,27,34)(H,28,32)(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.16E+3	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