Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-X-C chemokine receptor type 3' and Ligand = 'BDBM50301338'   

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))	BDBM50301338 (5-chloro-6-(4-(1-(2-cyanobenzyl)piperidin-4-yl)pip...) Show SMILES Clc1cc(cnc1N1CCN(CC1)C1CCN(Cc2ccccc2C#N)CC1)C(=O)NCCOc1ccccc1 Show InChI InChI=1S/C31H35ClN6O2/c32-29-20-26(31(39)34-12-19-40-28-8-2-1-3-9-28)22-35-30(29)38-17-15-37(16-18-38)27-10-13-36(14-11-27)23-25-7-5-4-6-24(25)21-33/h1-9,20,22,27H,10-19,23H2,(H,34,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.90E+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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