Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 518.6 BDBM50412772

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))	BDBM50412772 (CHEMBL492897) Show SMILES CC(C)(C)OC(=O)N1CCC(CCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)(CC1)c1ccccc1 Show InChI InChI=1S/C31H42N4O3/c1-30(2,3)38-29(37)34-22-17-31(18-23-34,24-10-5-4-6-11-24)16-9-19-33-20-14-25(15-21-33)35-27-13-8-7-12-26(27)32-28(35)36/h4-8,10-13,25H,9,14-23H2,1-3H3,(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	3.98E+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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