Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50339991'   

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))	BDBM50339991 (3,5-dichloro-N-(3-(4-((4-(trifluoromethyl)phenyl)(...) Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1cccc(n1)C(F)(F)F)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H28Cl2F6N4O2/c1-17(9-12-39-27(42)25-21(30)15-38-16-22(25)31)41-13-10-19(11-14-41)26(18-5-7-20(8-6-18)28(32,33)34)43-24-4-2-3-23(40-24)29(35,36)37/h2-8,15-17,19,26H,9-14H2,1H3,(H,39,42)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells				Bioorg Med Chem Lett 21: 2450-5 (2011) Article DOI: 10.1016/j.bmcl.2011.02.058 BindingDB Entry DOI: 10.7270/Q2F76CV3
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