BindingDB PrimarySearch

BDBM50140548 3-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylamino)-5-fluoro-4-oxo-pentanoic acid methyl ester::CHEMBL23453

SMILES: COC(=O)CC(NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)CF

InChI Key: InChIKey=DPHACENAZHGWHS-JRZJBTRGSA-N

Data: 6 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50140548
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	acs.jmedchem.1c00409_ST.196 (3-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylam...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Calpain1 (Homo sapiens (Human))	BDBM50140548 (3-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylam...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	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
Prothrombin (Homo sapiens (Human))	BDBM50140548 (3-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylam...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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
Cathepsin B (Homo sapiens (Human))	BDBM50140548 (3-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylam...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	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
Coagulation factor X (Homo sapiens (Human))	BDBM50140548 (3-((S)-2-Benzyloxycarbonylamino-3-methyl-butyrylam...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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
Caspase-1 (Homo sapiens (Human))	BDBM50140548 (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	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	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))	BDBM50140548 (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	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	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