Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 329.3 BDBM50275496

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))	BDBM50275496 (CHEMBL4127904) Show SMILES Cc1cc(ccc1-c1cnn2C[C@@H](Cc12)OCc1ccccc1)C#N |r| Show InChI InChI=1S/C21H19N3O/c1-15-9-17(11-22)7-8-19(15)20-12-23-24-13-18(10-21(20)24)25-14-16-5-3-2-4-6-16/h2-9,12,18H,10,13-14H2,1H3/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in Chinese hamster V79 cell mitochondria assessed as reduction in aldosterone production using deoxycorticoster...				J Med Chem 61: 5594-5608 (2018) Article DOI: 10.1021/acs.jmedchem.8b00328 BindingDB Entry DOI: 10.7270/Q2F47RN9
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50275496 (CHEMBL4127904) Show SMILES Cc1cc(ccc1-c1cnn2C[C@@H](Cc12)OCc1ccccc1)C#N |r| Show InChI InChI=1S/C21H19N3O/c1-15-9-17(11-22)7-8-19(15)20-12-23-24-13-18(10-21(20)24)25-14-16-5-3-2-4-6-16/h2-9,12,18H,10,13-14H2,1H3/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 expressed in Chinese hamster V79 cells assessed as reduction in corticosterone production using deoxycorticosterone as su...				J Med Chem 61: 5594-5608 (2018) Article DOI: 10.1021/acs.jmedchem.8b00328 BindingDB Entry DOI: 10.7270/Q2F47RN9
					More data for this Ligand-Target Pair