Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 281.3 BDBM50272287

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))	BDBM50272287 (3-Methoxy-5-(6-methoxy-3-methyl-3,4-dihydronaphtha...) Show SMILES COc1ccc2C=C(C(C)Cc2c1)c1cncc(OC)c1 |c:6| Show InChI InChI=1S/C18H19NO2/c1-12-6-14-7-16(20-2)5-4-13(14)9-18(12)15-8-17(21-3)11-19-10-15/h4-5,7-12H,6H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	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 V79 MZh cells				J Med Chem 51: 5064-74 (2008) Article DOI: 10.1021/jm800377h BindingDB Entry DOI: 10.7270/Q2Z89C75
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50272287 (3-Methoxy-5-(6-methoxy-3-methyl-3,4-dihydronaphtha...) Show SMILES COc1ccc2C=C(C(C)Cc2c1)c1cncc(OC)c1 |c:6| Show InChI InChI=1S/C18H19NO2/c1-12-6-14-7-16(20-2)5-4-13(14)9-18(12)15-8-17(21-3)11-19-10-15/h4-5,7-12H,6H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 expressed in hamster V79 MZh cells				J Med Chem 51: 5064-74 (2008) Article DOI: 10.1021/jm800377h BindingDB Entry DOI: 10.7270/Q2Z89C75
					More data for this Ligand-Target Pair