Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50318441'   

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))	BDBM50318441 (CHEMBL1096102 | N-((S)-3-((3aR,6aS)-5-(2-chloro-6-...) Show SMILES Cc1cccc(Cl)c1C(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C29H36ClN3O2/c1-20-8-7-13-25(30)27(20)29(35)33-18-23-16-32(17-24(23)19-33)15-14-26(21-9-3-2-4-10-21)31-28(34)22-11-5-6-12-22/h2-4,7-10,13,22-24,26H,5-6,11-12,14-19H2,1H3,(H,31,34)/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	9	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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