Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 534.0 BDBM50301336

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))	BDBM50301336 (6-(4-(1-benzylpiperidin-4-yl)piperazin-1-yl)-5-chl...) Show SMILES Clc1cc(cnc1N1CCN(CC1)C1CCN(Cc2ccccc2)CC1)C(=O)NCCOc1ccccc1 Show InChI InChI=1S/C30H36ClN5O2/c31-28-21-25(30(37)32-13-20-38-27-9-5-2-6-10-27)22-33-29(28)36-18-16-35(17-19-36)26-11-14-34(15-12-26)23-24-7-3-1-4-8-24/h1-10,21-22,26H,11-20,23H2,(H,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90E+3	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
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