Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 512.7 BDBM50418544

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))	BDBM50418544 (CHEMBL1784386) Show SMILES Cc1nc2ccccc2n1C1CC2CCC(C1)C2NCC1(CCN(CC1)C(=O)C(C)(C)C)c1ccccc1 |(50.97,1.24,;50.68,-.25,;51.67,-1.42,;50.93,-2.75,;51.41,-4.21,;50.39,-5.36,;48.88,-5.05,;48.4,-3.59,;49.42,-2.43,;49.25,-.9,;47.91,-.14,;46.58,-.92,;45.25,-.15,;46.51,-.07,;47.14,1.03,;46.56,2.17,;47.9,1.4,;45.24,1.39,;43.9,2.15,;43.89,3.69,;42.6,4.53,;41.83,5.87,;40.29,5.87,;39.51,4.54,;40.28,3.2,;41.82,3.2,;37.99,4.54,;37.23,3.23,;37.23,5.86,;38,7.17,;35.71,5.86,;36.45,7.17,;43.93,5.29,;43.94,6.83,;45.28,7.6,;46.61,6.81,;46.6,5.27,;45.26,4.51,)| Show InChI InChI=1S/C33H44N4O/c1-23-35-28-12-8-9-13-29(28)37(23)27-20-24-14-15-25(21-27)30(24)34-22-33(26-10-6-5-7-11-26)16-18-36(19-17-33)31(38)32(2,3)4/h5-13,24-25,27,30,34H,14-22H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
					More data for this Ligand-Target Pair