Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 475.5 BDBM50441863

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))	BDBM50441863 (CHEMBL2436716) Show SMILES CC(C)Oc1ccc(cc1NC(=O)c1cnccn1)C1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1 Show InChI InChI=1S/C26H29N5O4/c1-18(2)35-25-8-5-21(15-23(25)29-26(32)24-16-27-11-12-28-24)20-9-13-30(14-10-20)17-19-3-6-22(7-4-19)31(33)34/h3-8,11-12,15-16,18,20H,9-10,13-14,17H2,1-2H3,(H,29,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.57E+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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