Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 266.3 BDBM50019877

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

Found 4 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))	BDBM50019877 (CHEMBL3287172) Show SMILES CC(C)C(=O)N1CCc2cc(ccc12)-c1cccnc1 Show InChI InChI=1S/C17H18N2O/c1-12(2)17(20)19-9-7-14-10-13(5-6-16(14)19)15-4-3-8-18-11-15/h3-6,8,10-12H,7,9H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human CYP11B1 expressed in hamster fibroblasts using deoxycorticosterone as substrate				Bioorg Med Chem Lett 29: 2016-2024 (2019) Article DOI: 10.1016/j.bmcl.2019.06.040 BindingDB Entry DOI: 10.7270/Q2N01B1G
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50019877 (CHEMBL3287172) Show SMILES CC(C)C(=O)N1CCc2cc(ccc12)-c1cccnc1 Show InChI InChI=1S/C17H18N2O/c1-12(2)17(20)19-9-7-14-10-13(5-6-16(14)19)15-4-3-8-18-11-15/h3-6,8,10-12H,7,9H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.10E+3	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 V79MZh cells using deoxycorticosterone as substrate				J Med Chem 57: 5179-89 (2014) Article DOI: 10.1021/jm500140c BindingDB Entry DOI: 10.7270/Q20Z74VS
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50019877 (CHEMBL3287172) Show SMILES CC(C)C(=O)N1CCc2cc(ccc12)-c1cccnc1 Show InChI InChI=1S/C17H18N2O/c1-12(2)17(20)19-9-7-14-10-13(5-6-16(14)19)15-4-3-8-18-11-15/h3-6,8,10-12H,7,9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human CYP11B2 expressed in hamster fibroblasts using deoxycorticosterone as substrate				Bioorg Med Chem Lett 29: 2016-2024 (2019) Article DOI: 10.1016/j.bmcl.2019.06.040 BindingDB Entry DOI: 10.7270/Q2N01B1G
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM50019877 (CHEMBL3287172) Show SMILES CC(C)C(=O)N1CCc2cc(ccc12)-c1cccnc1 Show InChI InChI=1S/C17H18N2O/c1-12(2)17(20)19-9-7-14-10-13(5-6-16(14)19)15-4-3-8-18-11-15/h3-6,8,10-12H,7,9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+3	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 V79MZh cells using deoxycorticosterone as substrate				J Med Chem 57: 5179-89 (2014) Article DOI: 10.1021/jm500140c BindingDB Entry DOI: 10.7270/Q20Z74VS
					More data for this Ligand-Target Pair