Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 447.4 BDBM50441883

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))	BDBM50441883 (CHEMBL2436815) Show SMILES COc1ccc(cc1NC(=O)c1cnccn1)C1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1 Show InChI InChI=1S/C24H25N5O4/c1-33-23-7-4-19(14-21(23)27-24(30)22-15-25-10-11-26-22)18-8-12-28(13-9-18)16-17-2-5-20(6-3-17)29(31)32/h2-7,10-11,14-15,18H,8-9,12-13,16H2,1H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+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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