BDBM50247540 CHEMBL4064593

SMILES: C[C@@H]1CN([C@@H](CO1)c1cccc(F)c1)c1ccc2OCC(=O)Nc2n1

InChI Key: InChIKey=WDCXFCOVWKKBNE-RISCZKNCSA-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 = 50247540   

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))	BDBM50247540 (CHEMBL4064593) Show SMILES C[C@@H]1CN([C@@H](CO1)c1cccc(F)c1)c1ccc2OCC(=O)Nc2n1 |r| Show InChI InChI=1S/C18H18FN3O3/c1-11-8-22(14(9-24-11)12-3-2-4-13(19)7-12)16-6-5-15-18(20-16)21-17(23)10-25-15/h2-7,11,14H,8-10H2,1H3,(H,20,21,23)/t11-,14+/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	19	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))	BDBM50247540 (CHEMBL4064593) Show SMILES C[C@@H]1CN([C@@H](CO1)c1cccc(F)c1)c1ccc2OCC(=O)Nc2n1 |r| Show InChI InChI=1S/C18H18FN3O3/c1-11-8-22(14(9-24-11)12-3-2-4-13(19)7-12)16-6-5-15-18(20-16)21-17(23)10-25-15/h2-7,11,14H,8-10H2,1H3,(H,20,21,23)/t11-,14+/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	55	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