Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50013326'   

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))	BDBM50013326 (CHEMBL3259855) Show SMILES CCN(CC)c1ccc(CN2CCN(CC2)c2ccc(OC(C)C)c(NC(=O)c3cnccn3)c2)cc1 Show InChI InChI=1S/C29H38N6O2/c1-5-34(6-2)24-9-7-23(8-10-24)21-33-15-17-35(18-16-33)25-11-12-28(37-22(3)4)26(19-25)32-29(36)27-20-30-13-14-31-27/h7-14,19-20,22H,5-6,15-18,21H2,1-4H3,(H,32,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Antagonist activity at CCR5 (unknown origin) expressed in human MOLT4 cells assessed as inhibition of RANTES-stimulated calcium mobilization treated ...				Bioorg Med Chem Lett 24: 2319-23 (2014) Article DOI: 10.1016/j.bmcl.2014.03.073 BindingDB Entry DOI: 10.7270/Q29C6ZZM
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