Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 545.7 BDBM50306051

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))	BDBM50306051 ((S)-1-butyl-3-(cyclohexylmethyl)-9-(3-(p-tolyloxy)...) Show SMILES CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C11CCN(CCc2cccc(Oc3ccc(C)cc3)c2)CC1 |r| Show InChI InChI=1S/C34H47N3O3/c1-3-4-20-37-32(38)31(25-27-9-6-5-7-10-27)35-33(39)34(37)18-22-36(23-19-34)21-17-28-11-8-12-30(24-28)40-29-15-13-26(2)14-16-29/h8,11-16,24,27,31H,3-7,9-10,17-23,25H2,1-2H3,(H,35,39)/t31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human CCR5 receptor overexpressed in CHO cells assessed as inhibition of MIP1alpha-induced calcium mobilization				Bioorg Med Chem Lett 20: 763-6 (2010) Article DOI: 10.1016/j.bmcl.2009.11.018 BindingDB Entry DOI: 10.7270/Q2NK3F4P
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