Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50310743'   

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))	BDBM50310743 ((S)-5-(4-(5-butyl-3-methyl-2-oxo-1-oxa-3,9-diazasp...) Show SMILES CCCC[C@H]1CN(C)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc(nc1C)C#N |r| Show InChI InChI=1S/C28H41N5O3/c1-6-7-8-22-19-31(5)26(35)36-28(22)11-15-33(16-12-28)27(4)9-13-32(14-10-27)25(34)24-20(2)17-23(18-29)30-21(24)3/h17,22H,6-16,19H2,1-5H3/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	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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