Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 518.6 BDBM50412744

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))	BDBM50412744 (CHEMBL492292) Show SMILES CC(C)(C)OC(=O)N1CCC(CCN2CCC3(CC2)N(CNC3=O)c2ccccc2)(CC1)c1ccccc1 Show InChI InChI=1S/C31H42N4O3/c1-29(2,3)38-28(37)34-22-15-30(16-23-34,25-10-6-4-7-11-25)14-19-33-20-17-31(18-21-33)27(36)32-24-35(31)26-12-8-5-9-13-26/h4-13H,14-24H2,1-3H3,(H,32,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1beta from human CCR5 expressed in CHO cells				J Med Chem 51: 6538-46 (2008) Article DOI: 10.1021/jm800598a BindingDB Entry DOI: 10.7270/Q2WS8VG8
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