Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 319.4 BDBM473952

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))	BDBM473952 (6-(5,5-Dimethyl-7-oxo- 4,5,6,-tetrahydro- benzoimi...) Show SMILES CC1(C)Cc2ncn(C3CCc4cc(ccc4C3)C#N)c2C(=O)C1 Show InChI InChI=1S/C20H21N3O/c1-20(2)9-17-19(18(24)10-20)23(12-22-17)16-6-5-14-7-13(11-21)3-4-15(14)8-16/h3-4,7,12,16H,5-6,8-10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Assays are performed in 96-well format in a final volume of 60 microL/well, containing 100 mM potassium phosphate, pH 7.4, 1% (v/v) DMSO, and additio...				US Patent US10858342 (2020) BindingDB Entry DOI: 10.7270/Q2MG7SKT
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM473952 (6-(5,5-Dimethyl-7-oxo- 4,5,6,-tetrahydro- benzoimi...) Show SMILES CC1(C)Cc2ncn(C3CCc4cc(ccc4C3)C#N)c2C(=O)C1 Show InChI InChI=1S/C20H21N3O/c1-20(2)9-17-19(18(24)10-20)23(12-22-17)16-6-5-14-7-13(11-21)3-4-15(14)8-16/h3-4,7,12,16H,5-6,8-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>3.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Assays are performed as for aldosterone synthase except for the use of 150 units of CYP11B1, 11-deoxycortisol as substrate and cortisol measured as p...				US Patent US10858342 (2020) BindingDB Entry DOI: 10.7270/Q2MG7SKT
					More data for this Ligand-Target Pair