Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 395.4 BDBM249239

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 11B1, mitochondrial (Homo sapiens (Human))	BDBM249239 (US9458135, 27) Show SMILES CN1C(=O)CCc2cc(c(F)cc12)-c1cncc(COc2cccc(F)n2)c1C Show InChI InChI=1S/C22H19F2N3O2/c1-13-15(12-29-21-5-3-4-20(24)26-21)10-25-11-17(13)16-8-14-6-7-22(28)27(2)19(14)9-18(16)23/h3-5,8-11H,6-7,12H2,1-2H3	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	20.8	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...				US Patent US9458135 (2016) BindingDB Entry DOI: 10.7270/Q2KW5F04
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM249239 (US9458135, 27) Show SMILES CN1C(=O)CCc2cc(c(F)cc12)-c1cncc(COc2cccc(F)n2)c1C Show InChI InChI=1S/C22H19F2N3O2/c1-13-15(12-29-21-5-3-4-20(24)26-21)10-25-11-17(13)16-8-14-6-7-22(28)27(2)19(14)9-18(16)23/h3-5,8-11H,6-7,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.200	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Herein we identified the use of the G-402 cell line as a host cell to ectopically express (transiently or stably) enzymes of the CYP11 family. Specif...				US Patent US9458135 (2016) BindingDB Entry DOI: 10.7270/Q2KW5F04
					More data for this Ligand-Target Pair