Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 308.2 BDBM473913

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))	BDBM473913 (6,6-Dimethyl-3-(3- trifluoromethyl-phenyl)- 3,5,6,...) Show SMILES CC1(C)Cc2ncn(c2C(=O)C1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C16H15F3N2O/c1-15(2)7-12-14(13(22)8-15)21(9-20-12)11-5-3-4-10(6-11)16(17,18)19/h3-6,9H,7-8H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	73	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))	BDBM473913 (6,6-Dimethyl-3-(3- trifluoromethyl-phenyl)- 3,5,6,...) Show SMILES CC1(C)Cc2ncn(c2C(=O)C1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C16H15F3N2O/c1-15(2)7-12-14(13(22)8-15)21(9-20-12)11-5-3-4-10(6-11)16(17,18)19/h3-6,9H,7-8H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70E+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