Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50252441'   

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))	BDBM50252441 (CHEMBL4061166) Show SMILES CC(C)CN1CC(=Cc2ccc(NC(C)=O)cc2C1=O)C(=O)Nc1ccc(CN(C)C2CCOCC2)cc1 |c:6| Show InChI InChI=1S/C30H38N4O4/c1-20(2)17-34-19-24(15-23-7-10-26(31-21(3)35)16-28(23)30(34)37)29(36)32-25-8-5-22(6-9-25)18-33(4)27-11-13-38-14-12-27/h5-10,15-16,20,27H,11-14,17-19H2,1-4H3,(H,31,35)(H,32,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>10	n/a	n/a	n/a	n/a
Institut für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster, Corrensstraße 48, D-48149 Münster, Germany. Curated by ChEMBL					Assay Description Displacement of [125I]RANTES from human CCR5 expressed in CHO cells after 40 mins by scintillation counting analysis				Eur J Med Chem 135: 401-413 (2017) Article DOI: 10.1016/j.ejmech.2017.04.046 BindingDB Entry DOI: 10.7270/Q2Z60RH6
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