Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 243.2 BDBM50502520

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))	BDBM50502520 (CHEMBL4464454) Show SMILES Fc1ccc2nc(-c3cnco3)n(C3CC3)c2c1 Show InChI InChI=1S/C13H10FN3O/c14-8-1-4-10-11(5-8)17(9-2-3-9)13(16-10)12-6-15-7-18-12/h1,4-7,9H,2-3H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Selenity Therapeutics Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B1 using deoxycortisol as substrate incubated for 60 mins by cell-based HPLC analysis				ACS Med Chem Lett 10: 1056-1060 (2019) Article DOI: 10.1021/acsmedchemlett.9b00152 BindingDB Entry DOI: 10.7270/Q2639T0V
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50502520 (CHEMBL4464454) Show SMILES Fc1ccc2nc(-c3cnco3)n(C3CC3)c2c1 Show InChI InChI=1S/C13H10FN3O/c14-8-1-4-10-11(5-8)17(9-2-3-9)13(16-10)12-6-15-7-18-12/h1,4-7,9H,2-3H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Selenity Therapeutics Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP11B2 using deoxycorticosterone as substrate incubated for 90 mins by cell-based HPLC analysis				ACS Med Chem Lett 10: 1056-1060 (2019) Article DOI: 10.1021/acsmedchemlett.9b00152 BindingDB Entry DOI: 10.7270/Q2639T0V
					More data for this Ligand-Target Pair