Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 319.3 BDBM380937

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

Found 2 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
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM380937 (8-(4,4-Difluoro-chroman-6-yl)-3,4- dihydro-1H-pyra...) Show SMILES OC1COCc2c1cncc2-c1ccc2OCCC(F)(F)c2c1 Show InChI InChI=1S/C17H15F2NO3/c18-17(19)3-4-23-16-2-1-10(5-14(16)17)11-6-20-7-12-13(11)8-22-9-15(12)21/h1-2,5-7,15,21H,3-4,8-9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...				Bioorg Med Chem Lett 18: 1274-9 (2008) BindingDB Entry DOI: 10.7270/Q2K35WZ4
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM380937 (8-(4,4-Difluoro-chroman-6-yl)-3,4- dihydro-1H-pyra...) Show SMILES OC1COCc2c1cncc2-c1ccc2OCCC(F)(F)c2c1 Show InChI InChI=1S/C17H15F2NO3/c18-17(19)3-4-23-16-2-1-10(5-14(16)17)11-6-20-7-12-13(11)8-22-9-15(12)21/h1-2,5-7,15,21H,3-4,8-9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	339	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description The aldosterone synthase inhibition assay employs cynomolgus adrenal gland mitochondria as the source of aldosterone synthase (CYP11B2). Mitochondria...				Bioorg Med Chem Lett 18: 1274-9 (2008) BindingDB Entry DOI: 10.7270/Q2K35WZ4
					More data for this Ligand-Target Pair