Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 552.5 BDBM50301349

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))	BDBM50301349 (5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)pi...) Show SMILES Clc1ccc(CN2CCC(CC2)N2CCN(CC2)c2ncc(cc2Cl)C(=O)NCCc2ccccc2)cc1 Show InChI InChI=1S/C30H35Cl2N5O/c31-26-8-6-24(7-9-26)22-35-14-11-27(12-15-35)36-16-18-37(19-17-36)29-28(32)20-25(21-34-29)30(38)33-13-10-23-4-2-1-3-5-23/h1-9,20-21,27H,10-19,22H2,(H,33,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of 125I-IP10 from recombinant human CXCR3 receptor expressed in Ba/F3 cell membrane after 1 to 4 hrs by scintillation counting				Bioorg Med Chem Lett 19: 5205-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.020 BindingDB Entry DOI: 10.7270/Q21V5F18
					More data for this Ligand-Target Pair