Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 307.3 BDBM233867

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 11B1, mitochondrial (Homo sapiens (Human))	BDBM233867 (US9353081, 61) Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc2[C@H](N)CCCc12 |r| Show InChI InChI=1S/C19H21N3O/c1-22-18-7-5-12(9-13(18)6-8-19(22)23)15-10-21-11-16-14(15)3-2-4-17(16)20/h5,7,9-11,17H,2-4,6,8,20H2,1H3/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	450	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...				US Patent US9353081 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1JT1
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM233867 (US9353081, 61) Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cncc2[C@H](N)CCCc12 |r| Show InChI InChI=1S/C19H21N3O/c1-22-18-7-5-12(9-13(18)6-8-19(22)23)15-10-21-11-16-14(15)3-2-4-17(16)20/h5,7,9-11,17H,2-4,6,8,20H2,1H3/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.60	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description The expression plasmids contains the ORF for either human/cyno CYP11B1 or CYP11B2 under the control of a suitable promoter (CMV-promoter) and a suita...				US Patent US9353081 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1JT1
					More data for this Ligand-Target Pair