Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 370.4 BDBM50425457

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
Aromatase (Homo sapiens (Human))	BDBM50425457 (CHEMBL2312956) Show SMILES COc1cccc(c1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1 Show InChI InChI=1S/C24H22N2O2/c1-28-21-4-2-3-17(15-21)23(16-7-10-25-11-8-16)20-13-18-5-6-22(27)26-12-9-19(14-20)24(18)26/h2-4,7-8,10-11,13-15,23H,5-6,9,12H2,1H3	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	59	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
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50425457 (CHEMBL2312956) Show SMILES COc1cccc(c1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1 Show InChI InChI=1S/C24H22N2O2/c1-28-21-4-2-3-17(15-21)23(16-7-10-25-11-8-16)20-13-18-5-6-22(27)26-12-9-19(14-20)24(18)26/h2-4,7-8,10-11,13-15,23H,5-6,9,12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	139	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
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50425457 (CHEMBL2312956) Show SMILES COc1cccc(c1)C(c1ccncc1)c1cc2CCN3c2c(CCC3=O)c1 Show InChI InChI=1S/C24H22N2O2/c1-28-21-4-2-3-17(15-21)23(16-7-10-25-11-8-16)20-13-18-5-6-22(27)26-12-9-19(14-20)24(18)26/h2-4,7-8,10-11,13-15,23H,5-6,9,12H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.54E+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 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