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 = 'BDBM50198406'   

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))	BDBM50198406 (1-(1-(((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en...) Show SMILES CC1(C)[C@@H]2C[C@H]1C(CN1CCC(CC1)NC(=O)Nc1cncc(c1)-c1ccsc1)=CC2 |c:32| Show InChI InChI=1S/C25H32N4OS/c1-25(2)20-4-3-17(23(25)12-20)15-29-8-5-21(6-9-29)27-24(30)28-22-11-19(13-26-14-22)18-7-10-31-16-18/h3,7,10-11,13-14,16,20-21,23H,4-6,8-9,12,15H2,1-2H3,(H2,27,28,30)/t20-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	107	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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