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 = 'BDBM50198421'   

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))	BDBM50198421 (1-(4-tert-butylphenyl)-3-(1-(cyclooctenylmethyl)pi...) Show SMILES CC(C)(C)c1ccc(NC(=O)NC2CCN(C\C3=C\CCCCCC3)CC2)cc1 |t:17| Show InChI InChI=1S/C25H39N3O/c1-25(2,3)21-11-13-22(14-12-21)26-24(29)27-23-15-17-28(18-16-23)19-20-9-7-5-4-6-8-10-20/h9,11-14,23H,4-8,10,15-19H2,1-3H3,(H2,26,27,29)/b20-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 17: 697-701 (2007) Article DOI: 10.1016/j.bmcl.2006.10.088 BindingDB Entry DOI: 10.7270/Q2833RPB
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