Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 541.7 BDBM50310736

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))	BDBM50310736 (5-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)pi...) Show SMILES CCCCC1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1CCN(CC1)C(=O)c1c(C)ncnc1C Show InChI InChI=1S/C30H47N5O4/c1-4-5-6-25-20-35(19-24-9-17-38-18-10-24)29(37)39-30(25)11-15-33(16-12-30)26-7-13-34(14-8-26)28(36)27-22(2)31-21-32-23(27)3/h21,24-26H,4-20H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [125I]RANTES from human CCR5 receptor cotransfected with Galphai6 in CHO cells				Bioorg Med Chem Lett 19: 5401-6 (2009) Article DOI: 10.1016/j.bmcl.2009.07.122 BindingDB Entry DOI: 10.7270/Q25H7GD5
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