Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 276.3 BDBM50082282

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 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))	BDBM50082282 (CHEMBL3421764) Show SMILES Nc1ccc(c(OCc2ccccc2)c1)-c1cccnc1 Show InChI InChI=1S/C18H16N2O/c19-16-8-9-17(15-7-4-10-20-12-15)18(11-16)21-13-14-5-2-1-3-6-14/h1-12H,13,19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	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 fibroblast using 100 nM [3H]-11-deoxycorticosterone as substrate after 45 mins by HPLC analysis				Eur J Med Chem 96: 139-50 (2015) Article DOI: 10.1016/j.ejmech.2015.04.013 BindingDB Entry DOI: 10.7270/Q2WQ05HQ
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50082282 (CHEMBL3421764) Show SMILES Nc1ccc(c(OCc2ccccc2)c1)-c1cccnc1 Show InChI InChI=1S/C18H16N2O/c19-16-8-9-17(15-7-4-10-20-12-15)18(11-16)21-13-14-5-2-1-3-6-14/h1-12H,13,19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	447	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP19 expressed in hamster fibroblast using 500 nM [1beta-3H] androstenedione as substrate by HPLC analysis				Eur J Med Chem 96: 139-50 (2015) Article DOI: 10.1016/j.ejmech.2015.04.013 BindingDB Entry DOI: 10.7270/Q2WQ05HQ
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50082282 (CHEMBL3421764) Show SMILES Nc1ccc(c(OCc2ccccc2)c1)-c1cccnc1 Show InChI InChI=1S/C18H16N2O/c19-16-8-9-17(15-7-4-10-20-12-15)18(11-16)21-13-14-5-2-1-3-6-14/h1-12H,13,19H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	540	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 fibroblast using 100 nM [3H]-11-deoxycorticosterone as substrate after 25 mins by HPLC analysis				Eur J Med Chem 96: 139-50 (2015) Article DOI: 10.1016/j.ejmech.2015.04.013 BindingDB Entry DOI: 10.7270/Q2WQ05HQ
					More data for this Ligand-Target Pair