BDBM50247545 CHEMBL4100538

SMILES: O=C1COc2ccc(nc2N1)N1C[C@@H](CC#N)OC[C@H]1c1ccccc1

InChI Key: InChIKey=IQLFUXYOBMCCDH-CABCVRRESA-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 = 50247545   

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))	BDBM50247545 (CHEMBL4100538) Show SMILES O=C1COc2ccc(nc2N1)N1C[C@@H](CC#N)OC[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C19H18N4O3/c20-9-8-14-10-23(15(11-25-14)13-4-2-1-3-5-13)17-7-6-16-19(21-17)22-18(24)12-26-16/h1-7,14-15H,8,10-12H2,(H,21,22,24)/t14-,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	56	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))	BDBM50247545 (CHEMBL4100538) Show SMILES O=C1COc2ccc(nc2N1)N1C[C@@H](CC#N)OC[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C19H18N4O3/c20-9-8-14-10-23(15(11-25-14)13-4-2-1-3-5-13)17-7-6-16-19(21-17)22-18(24)12-26-16/h1-7,14-15H,8,10-12H2,(H,21,22,24)/t14-,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	98	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