BindingDB PrimarySearch

BDBM50273992 (S)-1-(2-Propynyl)-5-(2-(2,4-difluorophenoxymethyl)-pyrrolidine-1-sulfonyl)isatin::CHEMBL515661

SMILES: Fc1ccc(OC[C@@H]2CCCN2S(=O)(=O)c2ccc3N(CC#C)C(=O)C(=O)c3c2)c(F)c1

InChI Key: InChIKey=SJZKQKNCZPWFBN-HNNXBMFYSA-N

Data: 5 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50273992
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
Caspase-3 (Homo sapiens (Human))	BDBM50273992 ((S)-1-(2-Propynyl)-5-(2-(2,4-difluorophenoxymethyl...) 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	n/a	n/a	50.1	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 3 assessed as accumulation of 7-amino-4-methylcoumarin substrate				J Med Chem 51: 8057-67 (2008) Article DOI: 10.1021/jm801107u BindingDB Entry DOI: 10.7270/Q2ZK5GHK
Imperial College London Curated by ChEMBL					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM50273992 ((S)-1-(2-Propynyl)-5-(2-(2,4-difluorophenoxymethyl...) 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	n/a	n/a	60.4	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 7 assessed as accumulation of 7-amino-4-methylcoumarin substrate				J Med Chem 51: 8057-67 (2008) Article DOI: 10.1021/jm801107u BindingDB Entry DOI: 10.7270/Q2ZK5GHK
Imperial College London Curated by ChEMBL					More data for this Ligand-Target Pair
Caspase-6 (Homo sapiens (Human))	BDBM50273992 ((S)-1-(2-Propynyl)-5-(2-(2,4-difluorophenoxymethyl...) 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	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 6 assessed as accumulation of 7-amino-4-methylcoumarin substrate				J Med Chem 51: 8057-67 (2008) Article DOI: 10.1021/jm801107u BindingDB Entry DOI: 10.7270/Q2ZK5GHK
Imperial College London Curated by ChEMBL					More data for this Ligand-Target Pair
Caspase-8 (Homo sapiens (Human))	BDBM50273992 ((S)-1-(2-Propynyl)-5-(2-(2,4-difluorophenoxymethyl...) 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	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 8 assessed as accumulation of 7-amino-4-methylcoumarin substrate				J Med Chem 51: 8057-67 (2008) Article DOI: 10.1021/jm801107u BindingDB Entry DOI: 10.7270/Q2ZK5GHK
Imperial College London Curated by ChEMBL					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50273992 ((S)-1-(2-Propynyl)-5-(2-(2,4-difluorophenoxymethyl...) 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	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant caspase 1 assessed as accumulation of 7-amino-4-methylcoumarin substrate				J Med Chem 51: 8057-67 (2008) Article DOI: 10.1021/jm801107u BindingDB Entry DOI: 10.7270/Q2ZK5GHK
Imperial College London Curated by ChEMBL					More data for this Ligand-Target Pair