Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 394.4 BDBM325765

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))	BDBM325765 ((rac)-2-[4-[2-Fluoro-4-(trifluoromethyl)phenyl]-6,...) Show SMILES CC(C)N(C)C(=O)CC1CCc2c1cncc2-c1ccc(cc1F)C(F)(F)F Show InChI InChI=1S/C21H22F4N2O/c1-12(2)27(3)20(28)8-13-4-6-15-17(13)10-26-11-18(15)16-7-5-14(9-19(16)22)21(23,24)25/h5,7,9-13H,4,6,8H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
Hoffman-La Roche Inc. US Patent					Assay Description G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...				US Patent US9636339 (2017) BindingDB Entry DOI: 10.7270/Q25H7JB3
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM325765 ((rac)-2-[4-[2-Fluoro-4-(trifluoromethyl)phenyl]-6,...) Show SMILES CC(C)N(C)C(=O)CC1CCc2c1cncc2-c1ccc(cc1F)C(F)(F)F Show InChI InChI=1S/C21H22F4N2O/c1-12(2)27(3)20(28)8-13-4-6-15-17(13)10-26-11-18(15)16-7-5-14(9-19(16)22)21(23,24)25/h5,7,9-13H,4,6,8H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.31E+3	n/a	n/a	n/a	n/a
Hoffman-La Roche Inc. US Patent					Assay Description G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-200...				US Patent US9636339 (2017) BindingDB Entry DOI: 10.7270/Q25H7JB3
					More data for this Ligand-Target Pair