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Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 555.6
BDBM50216419

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

Found 5 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	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Caspase-3 (Homo sapiens (Human))	BDBM50216419 (2-{1-(4-methoxy-benzyl)-2-oxo-5-[2-(pyridin-3-ylox...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 3				J Med Chem 50: 3751-5 (2007) Article DOI: 10.1021/jm070506t BindingDB Entry DOI: 10.7270/Q2JW8DMM
Washington University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50216419 (2-{1-(4-methoxy-benzyl)-2-oxo-5-[2-(pyridin-3-ylox...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29.6	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 7				J Med Chem 50: 3751-5 (2007) Article DOI: 10.1021/jm070506t BindingDB Entry DOI: 10.7270/Q2JW8DMM
Washington University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (Human))	BDBM50216419 (2-{1-(4-methoxy-benzyl)-2-oxo-5-[2-(pyridin-3-ylox...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 6				J Med Chem 50: 3751-5 (2007) Article DOI: 10.1021/jm070506t BindingDB Entry DOI: 10.7270/Q2JW8DMM
Washington University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50216419 (2-{1-(4-methoxy-benzyl)-2-oxo-5-[2-(pyridin-3-ylox...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 1				J Med Chem 50: 3751-5 (2007) Article DOI: 10.1021/jm070506t BindingDB Entry DOI: 10.7270/Q2JW8DMM
Washington University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM50216419 (2-{1-(4-methoxy-benzyl)-2-oxo-5-[2-(pyridin-3-ylox...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 8				J Med Chem 50: 3751-5 (2007) Article DOI: 10.1021/jm070506t BindingDB Entry DOI: 10.7270/Q2JW8DMM
Washington University School of Medicine Curated by ChEMBL					More data for this Ligand-Target Pair