Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 774.3 BDBM50331643

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))	BDBM50331643 (5-(4-(2-(4-(1-allyl-3-(4-fluorophenyl)ureido)piper...) Show SMILES CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)Nc3ccc(F)cc3)(CC2)c2cccc(F)c2)c(Cl)cc1F Show InChI InChI=1S/C39H47ClF3N5O4S/c1-5-18-48(37(50)44-30-11-9-28(41)10-12-30)31-13-19-46(20-14-31)21-15-39(27-7-6-8-29(42)24-27)16-22-47(23-17-39)36(49)32-25-35(34(43)26-33(32)40)53(51,52)45-38(2,3)4/h5-12,24-26,31,45H,1,13-23H2,2-4H3,(H,44,50)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	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