Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 507.7 BDBM50418494

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))	BDBM50418494 (CHEMBL1784390) Show SMILES O=C(N1CCC(CCN2C3CCC2CC(C3)NCc2ccccc2)(CC1)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C34H41N3O/c38-33(28-12-6-2-7-13-28)36-21-18-34(19-22-36,29-14-8-3-9-15-29)20-23-37-31-16-17-32(37)25-30(24-31)35-26-27-10-4-1-5-11-27/h1-15,30-32,35H,16-26H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.16E+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 receptor after 4 hrs by scintillation counting				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
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