Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 361.4 BDBM476660

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM476660 ((S)-2-Imino-3,6-dimethyl-6-(8-(prop- 1-yn-1-yl)dib...) Show SMILES CC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 |r| Show InChI InChI=1S/C21H19N3OS/c1-4-5-13-6-8-17-15(10-13)16-11-14(7-9-18(16)26-17)21(2)12-19(25)24(3)20(22)23-21/h6-11H,12H2,1-3H3,(H2,22,23)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
ALLGENESIS BIOTHERAPEUTICS, INC. US Patent					Assay Description A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...				US Patent US10870635 (2020) BindingDB Entry DOI: 10.7270/Q2474DXV
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM476660 ((S)-2-Imino-3,6-dimethyl-6-(8-(prop- 1-yn-1-yl)dib...) Show SMILES CC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 |r| Show InChI InChI=1S/C21H19N3OS/c1-4-5-13-6-8-17-15(10-13)16-11-14(7-9-18(16)26-17)21(2)12-19(25)24(3)20(22)23-21/h6-11H,12H2,1-3H3,(H2,22,23)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
ALLGENESIS BIOTHERAPEUTICS, INC. US Patent					Assay Description A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...				US Patent US10870635 (2020) BindingDB Entry DOI: 10.7270/Q2474DXV
					More data for this Ligand-Target Pair
Cathepsin D (Homo sapiens (Human))	BDBM476660 ((S)-2-Imino-3,6-dimethyl-6-(8-(prop- 1-yn-1-yl)dib...) Show SMILES CC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 |r| Show InChI InChI=1S/C21H19N3OS/c1-4-5-13-6-8-17-15(10-13)16-11-14(7-9-18(16)26-17)21(2)12-19(25)24(3)20(22)23-21/h6-11H,12H2,1-3H3,(H2,22,23)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
ALLGENESIS BIOTHERAPEUTICS, INC. US Patent					Assay Description Cathepsin D (Cat D) is a major intercellular member of the mammalian aspartic proteinase family and is thought to be in the normal degradation of int...				US Patent US10870635 (2020) BindingDB Entry DOI: 10.7270/Q2474DXV
					More data for this Ligand-Target Pair