Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50249198'   

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))	BDBM50249198 ((R)-2-((3S,4S)-3-((4-(3-benzylisoxazol-5-yl)piperi...) Show SMILES OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2cc(Cc3ccccc3)no2)[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C34H43N3O3/c38-34(39)33(28-14-8-3-9-15-28)37-23-29(31(24-37)26-12-6-2-7-13-26)22-36-18-16-27(17-19-36)32-21-30(35-40-32)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,21,27-29,31,33H,3,8-9,14-20,22-24H2,(H,38,39)/t29-,31+,33+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Beijing University of Technology Curated by ChEMBL					Assay Description Displacement of [125I]MIP1alpha from human CCR5 expressed in CHO cells				Eur J Med Chem 43: 2724-34 (2008) Article DOI: 10.1016/j.ejmech.2008.01.040 BindingDB Entry DOI: 10.7270/Q2G44Q3W
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