Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 305.3 BDBM10223Purchase

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
Caspase-3 (Homo sapiens (Human))	BDBM10223 (BI-9C5 | Burnham Institute Compound 9 | ethyl 2-(2...) Show SMILES CCOC(=O)c1sc(nc1C)C1COc2ccccc2O1 Show InChI InChI=1S/C15H15NO4S/c1-3-18-15(17)13-9(2)16-14(21-13)12-8-19-10-6-4-5-7-11(10)20-12/h4-7,12H,3,8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20E+4	n/a	n/a	n/a	n/a	7.5	22
Burnham Institute					Assay Description Fluorescent assays were carried out in black 96-well plates. Caspase activity was monitored using a Labsystem Fluoroskan II spectrofluorometer with a...				J Med Chem 48: 1649-56 (2005) Article DOI: 10.1021/jm0493212 BindingDB Entry DOI: 10.7270/Q2GT5KDJ
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM10223 (BI-9C5 | Burnham Institute Compound 9 | ethyl 2-(2...) Show SMILES CCOC(=O)c1sc(nc1C)C1COc2ccccc2O1 Show InChI InChI=1S/C15H15NO4S/c1-3-18-15(17)13-9(2)16-14(21-13)12-8-19-10-6-4-5-7-11(10)20-12/h4-7,12H,3,8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute					Assay Description Fluorescent assays were carried out in black 96-well plates. Caspase activity was monitored using a Labsystem Fluoroskan II spectrofluorometer with a...				J Med Chem 48: 1649-56 (2005) Article DOI: 10.1021/jm0493212 BindingDB Entry DOI: 10.7270/Q2GT5KDJ
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM10223 (BI-9C5 | Burnham Institute Compound 9 | ethyl 2-(2...) Show SMILES CCOC(=O)c1sc(nc1C)C1COc2ccccc2O1 Show InChI InChI=1S/C15H15NO4S/c1-3-18-15(17)13-9(2)16-14(21-13)12-8-19-10-6-4-5-7-11(10)20-12/h4-7,12H,3,8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Institute					Assay Description Fluorescent assays were carried out in black 96-well plates. Caspase activity was monitored using a Labsystem Fluoroskan II spectrofluorometer with a...				J Med Chem 48: 1649-56 (2005) Article DOI: 10.1021/jm0493212 BindingDB Entry DOI: 10.7270/Q2GT5KDJ
					More data for this Ligand-Target Pair