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 = 'BDBM50198395'   

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))	BDBM50198395 (1-{[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-...) Show SMILES CC1(C)[C@@H]2C[C@H]1C(C[N+]1(C)CCC(CC1)NC(=O)Nc1cc(F)cc(c1)C(F)(F)F)=CC2 |c:32| Show InChI InChI=1S/C24H31F4N3O.HI/c1-23(2)16-5-4-15(21(23)12-16)14-31(3)8-6-19(7-9-31)29-22(32)30-20-11-17(24(26,27)28)10-18(25)13-20;/h4,10-11,13,16,19,21H,5-9,12,14H2,1-3H3,(H-,29,30,32);1H/t16-,19?,21-,31?;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	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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