Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 370.8 BDBM101366

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))	BDBM101366 (US9695151, 32) Show SMILES CC(=O)N1CC(C1)Nc1cncc(c1)N1CCc2cc(Cl)ccc2C1=O Show InChI InChI=1S/C19H19ClN4O2/c1-12(25)23-10-16(11-23)22-15-7-17(9-21-8-15)24-5-4-13-6-14(20)2-3-18(13)19(24)26/h2-3,6-9,16,22H,4-5,10-11H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	4.11E+4	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-2007 co...				US Patent US9695151 (2017) BindingDB Entry DOI: 10.7270/Q2KD1W22
					More data for this Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial (Homo sapiens (Human))	BDBM101366 (US9695151, 32) Show SMILES CC(=O)N1CC(C1)Nc1cncc(c1)N1CCc2cc(Cl)ccc2C1=O Show InChI InChI=1S/C19H19ClN4O2/c1-12(25)23-10-16(11-23)22-15-7-17(9-21-8-15)24-5-4-13-6-14(20)2-3-18(13)19(24)26/h2-3,6-9,16,22H,4-5,10-11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	215	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description G-402 cells expressing CYP11 constructs were established as described above and maintained in McCoy's 5a Medium Modified, ATCC Catalog No. 30-2007 co...				US Patent US9695151 (2017) BindingDB Entry DOI: 10.7270/Q2KD1W22
					More data for this Ligand-Target Pair