Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50310742'   

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-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50310742 ((+/-)-5-(4-(5-butyl-2-oxo-3-((tetrahydro-2H-pyran-...) Show SMILES CCCCC1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc(nc1C)C#N Show InChI InChI=1S/C33H49N5O4/c1-5-6-7-27-23-37(22-26-8-18-41-19-9-26)31(40)42-33(27)12-16-38(17-13-33)32(4)10-14-36(15-11-32)30(39)29-24(2)20-28(21-34)35-25(29)3/h20,26-27H,5-19,22-23H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [125I]RANTES from human CCR5 receptor cotransfected with Galphai6 in CHO cells				Bioorg Med Chem Lett 19: 5401-6 (2009) Article DOI: 10.1016/j.bmcl.2009.07.122 BindingDB Entry DOI: 10.7270/Q25H7GD5
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