Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 415.5 BDBM50441881

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))	BDBM50441881 (CHEMBL2436721) Show SMILES COc1ccc(cc1NC(=O)c1ccccc1)C1CCN(Cc2ccc(N)cc2)CC1 Show InChI InChI=1S/C26H29N3O2/c1-31-25-12-9-22(17-24(25)28-26(30)21-5-3-2-4-6-21)20-13-15-29(16-14-20)18-19-7-10-23(27)11-8-19/h2-12,17,20H,13-16,18,27H2,1H3,(H,28,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70E+4	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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