Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50112267'   

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))	BDBM50112267 (CHEMBL3608771) Show SMILES COc1ncc(CN2CCC(CC2)c2[nH]ncc2Cc2ccccc2)cn1 Show InChI InChI=1S/C21H25N5O/c1-27-21-22-12-17(13-23-21)15-26-9-7-18(8-10-26)20-19(14-24-25-20)11-16-5-3-2-4-6-16/h2-6,12-14,18H,7-11,15H2,1H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [125I]-MIP-1beta form CCR5 (unknown origin)				ACS Med Chem Lett 6: 753-7 (2015) Article DOI: 10.1021/acsmedchemlett.5b00036 BindingDB Entry DOI: 10.7270/Q2K64KVQ
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