Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 499.6 BDBM50441868

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))	BDBM50441868 (CHEMBL2436711) Show SMILES CCN(CC)c1ccc(CN2CCC(CC2)c2ccc(OC(C)C)c(NC(=O)c3ccccc3)c2)cc1 Show InChI InChI=1S/C32H41N3O2/c1-5-35(6-2)29-15-12-25(13-16-29)23-34-20-18-26(19-21-34)28-14-17-31(37-24(3)4)30(22-28)33-32(36)27-10-8-7-9-11-27/h7-17,22,24,26H,5-6,18-21,23H2,1-4H3,(H,33,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.38E+5	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Antagonist activity at CCR5 (unknown origin) expressed in MOLT4 cells transfected with Gqi5 assessed as inhibition of RANTES-induced calcium ion mobi...				Eur J Med Chem 69: 647-58 (2013) Article DOI: 10.1016/j.ejmech.2013.09.004 BindingDB Entry DOI: 10.7270/Q26W9CJK
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