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 = 'BDBM50198396'   

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))	BDBM50198396 (1-(1-(2-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)...) Show SMILES CC1(C)C2CC1C(CCN1CCC(CC1)NC(=O)Nc1ccc3ccccc3c1)=CC2 |w:3.3,5.4,c:32| Show InChI InChI=1S/C27H35N3O/c1-27(2)22-9-7-20(25(27)18-22)11-14-30-15-12-23(13-16-30)28-26(31)29-24-10-8-19-5-3-4-6-21(19)17-24/h3-8,10,17,22-23,25H,9,11-16,18H2,1-2H3,(H2,28,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	290	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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