Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 231.2 BDBM9922

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))	BDBM9922 (3-(1,2-dihydroacenaphthylen-5-yl)pyridine | acenap...) Show SMILES C1Cc2ccc(-c3cccnc3)c3cccc1c23 Show InChI InChI=1S/C17H13N/c1-3-12-6-7-13-8-9-15(16(5-1)17(12)13)14-4-2-10-18-11-14/h1-5,8-11H,6-7H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				Bioorg Med Chem Lett 16: 25-30 (2006) Article DOI: 10.1016/j.bmcl.2005.09.059 BindingDB Entry DOI: 10.7270/Q2F18WXW
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM9922 (3-(1,2-dihydroacenaphthylen-5-yl)pyridine | acenap...) Show SMILES C1Cc2ccc(-c3cccnc3)c3cccc1c23 Show InChI InChI=1S/C17H13N/c1-3-12-6-7-13-8-9-15(16(5-1)17(12)13)14-4-2-10-18-11-14/h1-5,8-11H,6-7H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	7.4	37
Saarland University					Assay Description The enzyme activity was assayed by monitoring the conversion of deoxycorticosterone to corticosterone in the presence of inhibitor compounds. The pro...				Bioorg Med Chem Lett 16: 25-30 (2006) Article DOI: 10.1016/j.bmcl.2005.09.059 BindingDB Entry DOI: 10.7270/Q2F18WXW
					More data for this Ligand-Target Pair