Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 352.3 BDBM191945

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))	BDBM191945 (US9187429, 90) Show SMILES CCC(=O)NC1CCc2c1cncc2-c1ccc(c(F)c1)C(F)(F)F Show InChI InChI=1S/C18H16F4N2O/c1-2-17(25)24-16-6-4-11-12(8-23-9-13(11)16)10-3-5-14(15(19)7-10)18(20,21)22/h3,5,7-9,16H,2,4,6H2,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	26.7	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...				US Patent US9187429 (2015) BindingDB Entry DOI: 10.7270/Q2668C04
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM191945 (US9187429, 90) Show SMILES CCC(=O)NC1CCc2c1cncc2-c1ccc(c(F)c1)C(F)(F)F Show InChI InChI=1S/C18H16F4N2O/c1-2-17(25)24-16-6-4-11-12(8-23-9-13(11)16)10-3-5-14(15(19)7-10)18(20,21)22/h3,5,7-9,16H,2,4,6H2,1H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description G-402 cells can be obtained from ATCC(CRL-1440) and were originally derived from a renal leiomyoblastoma. The expression plasmids contains the ORF ...				US Patent US9187429 (2015) BindingDB Entry DOI: 10.7270/Q2668C04
					More data for this Ligand-Target Pair