BindingDB PrimarySearch

BDBM50199769 (S)-3-((1S,9S)-9-(isoquinoline-1-carboxamido)-6,10-dioxooctahydro-1H-pyridazino[1,2-a][1,2]diazepine-1-carboxamido)-4-oxobutanoic acid::(S)-3-((4S,7S)-7-(isoquinoline-1-carboxamido)-6,10-dioxo-octahydro-1H-pyridazino[1,2-a][1,2]diazepine-4-carboxamido)-4-oxobutanoic acid::CHEMBL437105

SMILES: OC(=O)C[C@H](NC(=O)[C@@H]1CCCN2N1C(=O)[C@H](CCC2=O)NC(=O)c1nccc2ccccc12)C=O

InChI Key: InChIKey=CUVNEENHHCPUBW-SZMVWBNQSA-N

Data: 2 KI 3 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50199769
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-1 (Homo sapiens (Human))	BDBM50199769 ((S)-3-((1S,9S)-9-(isoquinoline-1-carboxamido)-6,10...) 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 Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human ICE				Bioorg Med Chem Lett 20: 5184-90 (2010) Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Caspase-1 (Mus musculus)	BDBM50199769 ((S)-3-((1S,9S)-9-(isoquinoline-1-carboxamido)-6,10...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mouse ICE				Bioorg Med Chem Lett 20: 5184-90 (2010) Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50199769 ((S)-3-((1S,9S)-9-(isoquinoline-1-carboxamido)-6,10...) 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 Patents Similars	PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
The University of Manchester Curated by ChEMBL					Assay Description Inhibition of caspase-1 in LPS stimulated human PMBC cells after 2 hrs by ELISA analysis				J Med Chem 59: 1691-710 (2016) BindingDB Entry DOI: 10.7270/Q2416ZZM
The University of Manchester Curated by ChEMBL					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50199769 ((S)-3-((1S,9S)-9-(isoquinoline-1-carboxamido)-6,10...) 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 Patents Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human ICE				Bioorg Med Chem Lett 20: 5184-90 (2010) Article DOI: 10.1016/j.bmcl.2010.07.004 BindingDB Entry DOI: 10.7270/Q2QZ2B5X
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50199769 ((S)-3-((1S,9S)-9-(isoquinoline-1-carboxamido)-6,10...) 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 Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of ICE				Bioorg Med Chem 15: 1311-22 (2007) Article DOI: 10.1016/j.bmc.2006.11.011 BindingDB Entry DOI: 10.7270/Q2GF0T5M
Procter & Gamble Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair