Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 443.5 BDBM50441866

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))	BDBM50441866 (CHEMBL2436713) Show SMILES CC(C)Oc1ccc(cc1NC(=O)c1ccccc1)C1CCN(Cc2ccc(N)cc2)CC1 Show InChI InChI=1S/C28H33N3O2/c1-20(2)33-27-13-10-24(18-26(27)30-28(32)23-6-4-3-5-7-23)22-14-16-31(17-15-22)19-21-8-11-25(29)12-9-21/h3-13,18,20,22H,14-17,19,29H2,1-2H3,(H,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.62E+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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