Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 295.3 BDBM473798

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 11B2, mitochondrial (Homo sapiens (Human))	BDBM473798 (3-(1-Acetyl-2,3-dihydro-1H- indol-5-yl)-3,5,6,7- t...) Show SMILES CC(=O)N1CCc2cc(ccc12)-n1cnc2CCCC(=O)c12 Show InChI InChI=1S/C17H17N3O2/c1-11(21)19-8-7-12-9-13(5-6-15(12)19)20-10-18-14-3-2-4-16(22)17(14)20/h5-6,9-10H,2-4,7-8H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Assays are performed in 96-well format in a final volume of 60 microL/well, containing 100 mM potassium phosphate, pH 7.4, 1% (v/v) DMSO, and additio...				US Patent US10858342 (2020) BindingDB Entry DOI: 10.7270/Q2MG7SKT
					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM473798 (3-(1-Acetyl-2,3-dihydro-1H- indol-5-yl)-3,5,6,7- t...) Show SMILES CC(=O)N1CCc2cc(ccc12)-n1cnc2CCCC(=O)c12 Show InChI InChI=1S/C17H17N3O2/c1-11(21)19-8-7-12-9-13(5-6-15(12)19)20-10-18-14-3-2-4-16(22)17(14)20/h5-6,9-10H,2-4,7-8H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>3.00E+7	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Assays are performed as for aldosterone synthase except for the use of 150 units of CYP11B1, 11-deoxycortisol as substrate and cortisol measured as p...				US Patent US10858342 (2020) BindingDB Entry DOI: 10.7270/Q2MG7SKT
					More data for this Ligand-Target Pair