BDBM50247543 CHEMBL4098088

SMILES: C[C@@H]1CN([C@@H](CO1)c1ccccc1)c1cc2NC(=O)COc2cn1

InChI Key: InChIKey=LUEWHQFKXHSTPR-DOMZBBRYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50247543   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50247543 (CHEMBL4098088) Show SMILES C[C@@H]1CN([C@@H](CO1)c1ccccc1)c1cc2NC(=O)COc2cn1 |r| Show InChI InChI=1S/C18H19N3O3/c1-12-9-21(15(10-23-12)13-5-3-2-4-6-13)17-7-14-16(8-19-17)24-11-18(22)20-14/h2-8,12,15H,9-11H2,1H3,(H,20,22)/t12-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	109	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) BindingDB Entry DOI: 10.7270/Q2V1277H
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50247543 (CHEMBL4098088) Show SMILES C[C@@H]1CN([C@@H](CO1)c1ccccc1)c1cc2NC(=O)COc2cn1 |r| Show InChI InChI=1S/C18H19N3O3/c1-12-9-21(15(10-23-12)13-5-3-2-4-6-13)17-7-14-16(8-19-17)24-11-18(22)20-14/h2-8,12,15H,9-11H2,1H3,(H,20,22)/t12-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	252	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) BindingDB Entry DOI: 10.7270/Q2V1277H
					More data for this Ligand-Target Pair