SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 382.3
BDBM50140543

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Wt: 382.3
BDBM429218

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

Found 12 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-9 (Homo sapiens (Human))	BDBM50140543 (3-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylam...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Maxim Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against the Caspase-9 enzyme				Bioorg Med Chem Lett 14: 1269-72 (2004) Article DOI: 10.1016/j.bmcl.2003.12.065 BindingDB Entry DOI: 10.7270/Q2V988NB
Maxim Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM50140543 (3-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylam...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Maxim Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against the Caspase-8 enzyme				Bioorg Med Chem Lett 14: 1269-72 (2004) Article DOI: 10.1016/j.bmcl.2003.12.065 BindingDB Entry DOI: 10.7270/Q2V988NB
Maxim Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50140543 (3-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylam...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Maxim Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against the Caspase-7 enzyme				Bioorg Med Chem Lett 14: 1269-72 (2004) Article DOI: 10.1016/j.bmcl.2003.12.065 BindingDB Entry DOI: 10.7270/Q2V988NB
Maxim Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (Human))	BDBM50140543 (3-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylam...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Maxim Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against the Caspase-6 enzyme				Bioorg Med Chem Lett 14: 1269-72 (2004) Article DOI: 10.1016/j.bmcl.2003.12.065 BindingDB Entry DOI: 10.7270/Q2V988NB
Maxim Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50140543 (3-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylam...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Maxim Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against the Caspase-1 enzyme				Bioorg Med Chem Lett 14: 1269-72 (2004) Article DOI: 10.1016/j.bmcl.2003.12.065 BindingDB Entry DOI: 10.7270/Q2V988NB
Maxim Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50140543 (3-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylam...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Maxim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant Caspase-3 enzyme				Bioorg Med Chem Lett 14: 1269-72 (2004) Article DOI: 10.1016/j.bmcl.2003.12.065 BindingDB Entry DOI: 10.7270/Q2V988NB
Maxim Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM50140543 (3-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylam...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Maxim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant caspase-3				Bioorg Med Chem Lett 14: 5295-300 (2004) Article DOI: 10.1016/j.bmcl.2004.08.027 BindingDB Entry DOI: 10.7270/Q29G5M85
Maxim Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50140543 (3-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylam...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Maxim Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against the Calpain 1 enzyme				Bioorg Med Chem Lett 14: 1269-72 (2004) Article DOI: 10.1016/j.bmcl.2003.12.065 BindingDB Entry DOI: 10.7270/Q2V988NB
Maxim Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50140543 (3-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylam...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Maxim Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Cathepsin B				Bioorg Med Chem Lett 14: 1269-72 (2004) Article DOI: 10.1016/j.bmcl.2003.12.065 BindingDB Entry DOI: 10.7270/Q2V988NB
Maxim Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM429218 (jm5b01461, Compound 54) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				J Med Chem 59: 6595-628 (2016) Article DOI: 10.1021/acs.jmedchem.5b01461 BindingDB Entry DOI: 10.7270/Q2PK0JH1
University of Bonn					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50140543 (3-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylam...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Maxim Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against the Thrombin				Bioorg Med Chem Lett 14: 1269-72 (2004) Article DOI: 10.1016/j.bmcl.2003.12.065 BindingDB Entry DOI: 10.7270/Q2V988NB
Maxim Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50140543 (3-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylam...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Maxim Pharmaceuticals Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against the Coagulation factor X				Bioorg Med Chem Lett 14: 1269-72 (2004) Article DOI: 10.1016/j.bmcl.2003.12.065 BindingDB Entry DOI: 10.7270/Q2V988NB
Maxim Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair