Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 311.3 BDBM50235975

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits 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))	BDBM50235975 (CHEMBL4079083) Show SMILES O=C1COc2ccc(nc2N1)N1CCOC[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C17H17N3O3/c21-16-11-23-14-6-7-15(18-17(14)19-16)20-8-9-22-10-13(20)12-4-2-1-3-5-12/h1-7,13H,8-11H2,(H,18,19,21)/t13-/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	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-aldosterone from human GST-tagged MR ligand binding domain after 4 hrs by liquid scintillation counting				J Med Chem 61: 1086-1097 (2018) Article DOI: 10.1021/acs.jmedchem.7b01515 BindingDB Entry DOI: 10.7270/Q2V1277H
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50235975 (CHEMBL4079083) Show SMILES O=C1COc2ccc(nc2N1)N1CCOC[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C17H17N3O3/c21-16-11-23-14-6-7-15(18-17(14)19-16)20-8-9-22-10-13(20)12-4-2-1-3-5-12/h1-7,13H,8-11H2,(H,18,19,21)/t13-/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	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at human GAL4-DBD fused MR ligand binding domain transfected in human Huh7 cells co-expressing GAL4-RE-Luc assessed as reduction ...				J Med Chem 61: 1086-1097 (2018) Article DOI: 10.1021/acs.jmedchem.7b01515 BindingDB Entry DOI: 10.7270/Q2V1277H
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50235975 (CHEMBL4079083) Show SMILES O=C1COc2ccc(nc2N1)N1CCOC[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C17H17N3O3/c21-16-11-23-14-6-7-15(18-17(14)19-16)20-8-9-22-10-13(20)12-4-2-1-3-5-12/h1-7,13H,8-11H2,(H,18,19,21)/t13-/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	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (IQM-CSIC) Curated by ChEMBL					Assay Description Antagonist activity at Gal4-fused MR LBD (unknown origin) expressed in human Huh7 cells assessed as inhibition of aldosterone-induced transcriptional...				J Med Chem 60: 2629-2650 (2017) Article DOI: 10.1021/acs.jmedchem.6b01065 BindingDB Entry DOI: 10.7270/Q2HD7XXB
					More data for this Ligand-Target Pair