Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 490.7 BDBM50096544

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))	BDBM50096544 (CHEMBL316189 | N-[2-(3,4-Dimethyl-phenyl)-4-(4-phe...) Show SMILES CN(CC(CCN1CCC(CC1)c1ccccc1)c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C30H38N2O2S/c1-24-14-15-28(22-25(24)2)29(23-31(3)35(33,34)30-12-8-5-9-13-30)18-21-32-19-16-27(17-20-32)26-10-6-4-7-11-26/h4-15,22,27,29H,16-21,23H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against specific binding of [125I]-MIP-1 alpha to human CCR5 receptor.				Bioorg Med Chem Lett 11: 265-70 (2001) BindingDB Entry DOI: 10.7270/Q2668CFZ
					More data for this Ligand-Target Pair