Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50339035'   

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))	BDBM50339035 ((4,6-dimethylpyrimidin-5-yl)(4-((S)-4-((1S,2S)-2-m...) Show SMILES CO[C@H]1Cc2cc(ccc2[C@@H]1N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)C(F)(F)F |r| Show InChI InChI=1S/C29H38F3N5O2/c1-18-16-36(28(4)8-10-35(11-9-28)27(38)25-19(2)33-17-34-20(25)3)12-13-37(18)26-23-7-6-22(29(30,31)32)14-21(23)15-24(26)39-5/h6-7,14,17-18,24,26H,8-13,15-16H2,1-5H3/t18-,24-,26-/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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1beta from CCR5 in IL-10-stimulated human monocytes				ACS Med Chem Lett 1: 483-487 (2010) Article DOI: 10.1021/ml1001536 BindingDB Entry DOI: 10.7270/Q2SQ90PC
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