Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 290.2 BDBM50270346Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 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))	BDBM50270346 (4-(ethoxycarbonylmethoxy)-1-hydroxy-naphthalene-2-...) Show SMILES CCOC(=O)COc1cc(C(O)=O)c(O)c2ccccc12 Show InChI InChI=1S/C15H14O6/c1-2-20-13(16)8-21-12-7-11(15(18)19)14(17)10-6-4-3-5-9(10)12/h3-7,17H,2,8H2,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Science Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 3 preincubated for 10 mins				Bioorg Med Chem 16: 4854-9 (2008) Article DOI: 10.1016/j.bmc.2008.03.046 BindingDB Entry DOI: 10.7270/Q25B0281
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50270346 (4-(ethoxycarbonylmethoxy)-1-hydroxy-naphthalene-2-...) Show SMILES CCOC(=O)COc1cc(C(O)=O)c(O)c2ccccc12 Show InChI InChI=1S/C15H14O6/c1-2-20-13(16)8-21-12-7-11(15(18)19)14(17)10-6-4-3-5-9(10)12/h3-7,17H,2,8H2,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	8.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Science Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 7 preincubated for 10 mins				Bioorg Med Chem 16: 4854-9 (2008) Article DOI: 10.1016/j.bmc.2008.03.046 BindingDB Entry DOI: 10.7270/Q25B0281
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM50270346 (4-(ethoxycarbonylmethoxy)-1-hydroxy-naphthalene-2-...) Show SMILES CCOC(=O)COc1cc(C(O)=O)c(O)c2ccccc12 Show InChI InChI=1S/C15H14O6/c1-2-20-13(16)8-21-12-7-11(15(18)19)14(17)10-6-4-3-5-9(10)12/h3-7,17H,2,8H2,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Science Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 9 preincubated for 10 mins				Bioorg Med Chem 16: 4854-9 (2008) Article DOI: 10.1016/j.bmc.2008.03.046 BindingDB Entry DOI: 10.7270/Q25B0281
					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM50270346 (4-(ethoxycarbonylmethoxy)-1-hydroxy-naphthalene-2-...) Show SMILES CCOC(=O)COc1cc(C(O)=O)c(O)c2ccccc12 Show InChI InChI=1S/C15H14O6/c1-2-20-13(16)8-21-12-7-11(15(18)19)14(17)10-6-4-3-5-9(10)12/h3-7,17H,2,8H2,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo University of Science Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 8 preincubated for 10 mins				Bioorg Med Chem 16: 4854-9 (2008) Article DOI: 10.1016/j.bmc.2008.03.046 BindingDB Entry DOI: 10.7270/Q25B0281
					More data for this Ligand-Target Pair