Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 855.3 BDBM50331640

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))	BDBM50331640 (4-(trifluoromethoxy)benzyl allyl(1-(2-(1-(5-(N-ter...) Show SMILES CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)OCc3ccc(OC(F)(F)F)cc3)(CC2)c2cccc(F)c2)c(Cl)cc1F Show InChI InChI=1S/C41H48ClF5N4O6S/c1-5-18-51(38(53)56-27-28-9-11-32(12-10-28)57-41(45,46)47)31-13-19-49(20-14-31)21-15-40(29-7-6-8-30(43)24-29)16-22-50(23-17-40)37(52)33-25-36(35(44)26-34(33)42)58(54,55)48-39(2,3)4/h5-12,24-26,31,48H,1,13-23,27H2,2-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at CCR5 in HOS cells assessed as inhibition of HIV-1 Ba-L infection				Bioorg Med Chem Lett 20: 7397-400 (2010) Article DOI: 10.1016/j.bmcl.2010.10.033 BindingDB Entry DOI: 10.7270/Q27081P6
					More data for this Ligand-Target Pair