Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 516.0 BDBM50106937

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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))	BDBM50106937 ((R)-5-Benzyl-3-[2-(3-chloro-phenyl)-4-(4-phenyl-pi...) Show SMILES Oc1c(Cc2ccccc2)[nH]c(=O)n1CC(CCN1CCC(CC1)c1ccccc1)c1cccc(Cl)c1 Show InChI InChI=1S/C31H34ClN3O2/c32-28-13-7-12-26(21-28)27(16-19-34-17-14-25(15-18-34)24-10-5-2-6-11-24)22-35-30(36)29(33-31(35)37)20-23-8-3-1-4-9-23/h1-13,21,25,27,36H,14-20,22H2,(H,33,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against C-C chemokine receptor type 5 stably expressed in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as the radiolig...				Bioorg Med Chem Lett 11: 3099-102 (2001) BindingDB Entry DOI: 10.7270/Q2KK9B26
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