Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50318429'   

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))	BDBM50318429 (2-cyclopentyl-N-((S)-3-((3aR,6aS)-5-(4,6-dimethylp...) Show SMILES Cc1ncnc(C)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)CC3CCCC3)c3cccc(F)c3)C[C@@H]2C1 |r| Show InChI InChI=1S/C29H38FN5O2/c1-19-28(20(2)32-18-31-19)29(37)35-16-23-14-34(15-24(23)17-35)11-10-26(22-8-5-9-25(30)13-22)33-27(36)12-21-6-3-4-7-21/h5,8-9,13,18,21,23-24,26H,3-4,6-7,10-12,14-17H2,1-2H3,(H,33,36)/t23-,24+,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Binding affinity at CCR5 receptor by radiolabeled RANTES binding assay				Bioorg Med Chem Lett 20: 3116-9 (2010) Article DOI: 10.1016/j.bmcl.2010.03.095 BindingDB Entry DOI: 10.7270/Q27S7PQ2
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