Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 491.5 BDBM50324218

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
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50324218 ((+/-)-(3RS,3aSR)-2-(3-(Benzyloxy)-4-cyanophenyl)-3...) Show SMILES OC(=O)c1ccc2C3=NN([C@@H](C4CCCC4)[C@H]3CCc2c1)c1ccc(C#N)c(OCc2ccccc2)c1 |r,t:7| Show InChI InChI=1S/C31H29N3O3/c32-18-24-10-13-25(17-28(24)37-19-20-6-2-1-3-7-20)34-30(21-8-4-5-9-21)27-15-11-22-16-23(31(35)36)12-14-26(22)29(27)33-34/h1-3,6-7,10,12-14,16-17,21,27,30H,4-5,8-9,11,15,19H2,(H,35,36)/t27-,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	488	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay				J Med Chem 53: 5979-6002 (2010) Article DOI: 10.1021/jm100505n BindingDB Entry DOI: 10.7270/Q2T43V2T
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