Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 276.3 BDBM50425453

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 11B1, mitochondrial (Homo sapiens (Human))	BDBM50425453 (CHEMBL2312966) Show SMILES C=C(c1cccnc1)c1cc2CCN3c2c(CCC3=O)c1 Show InChI InChI=1S/C18H16N2O/c1-12(15-3-2-7-19-11-15)16-9-13-4-5-17(21)20-8-6-14(10-16)18(13)20/h2-3,7,9-11H,1,4-6,8H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrate				J Med Chem 56: 460-70 (2013) Article DOI: 10.1021/jm301408t BindingDB Entry DOI: 10.7270/Q2X34ZSF
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50425453 (CHEMBL2312966) Show SMILES C=C(c1cccnc1)c1cc2CCN3c2c(CCC3=O)c1 Show InChI InChI=1S/C18H16N2O/c1-12(15-3-2-7-19-11-15)16-9-13-4-5-17(21)20-8-6-14(10-16)18(13)20/h2-3,7,9-11H,1,4-6,8H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	468	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrate				J Med Chem 56: 460-70 (2013) Article DOI: 10.1021/jm301408t BindingDB Entry DOI: 10.7270/Q2X34ZSF
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50425453 (CHEMBL2312966) Show SMILES C=C(c1cccnc1)c1cc2CCN3c2c(CCC3=O)c1 Show InChI InChI=1S/C18H16N2O/c1-12(15-3-2-7-19-11-15)16-9-13-4-5-17(21)20-8-6-14(10-16)18(13)20/h2-3,7,9-11H,1,4-6,8H2	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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of human CYP19 using [1beta-3H]androstenedione as substrate by 3H2O method				J Med Chem 56: 460-70 (2013) Article DOI: 10.1021/jm301408t BindingDB Entry DOI: 10.7270/Q2X34ZSF
					More data for this Ligand-Target Pair