Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 269.3 BDBM50239813

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))	BDBM50239813 (CHEMBL4088179) Show SMILES Cc1cncc(Cc2ccc(nc2)N2CCOCC2)c1 Show InChI InChI=1S/C16H19N3O/c1-13-8-15(11-17-10-13)9-14-2-3-16(18-12-14)19-4-6-20-7-5-19/h2-3,8,10-12H,4-7,9H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 expressed in hamster V79MZ cells using [1,2-3H]-11-deoxycorticosterone as substrate after 6 hrs by HPLC analysis				J Med Chem 60: 5086-5098 (2017) Article DOI: 10.1021/acs.jmedchem.7b00437 BindingDB Entry DOI: 10.7270/Q24F1SWW
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50239813 (CHEMBL4088179) Show SMILES Cc1cncc(Cc2ccc(nc2)N2CCOCC2)c1 Show InChI InChI=1S/C16H19N3O/c1-13-8-15(11-17-10-13)9-14-2-3-16(18-12-14)19-4-6-20-7-5-19/h2-3,8,10-12H,4-7,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZ cells using [1,2-3H]-11-deoxycorticosterone as substrate after 6 hrs by HPLC analysis				J Med Chem 60: 5086-5098 (2017) Article DOI: 10.1021/acs.jmedchem.7b00437 BindingDB Entry DOI: 10.7270/Q24F1SWW
					More data for this Ligand-Target Pair