Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50072044'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Caspase-1 (Homo sapiens (Human))	BDBM50072044 (CHEMBL419508 | [(4S,7S,10aS)-4-((S)-2-Hydroxy-5-ox...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCC[C@@H]2CCC[C@H](NC(=O)OCc3ccccc3)C(=O)N12 Show InChI InChI=1S/C23H29N3O7/c27-19-12-17(22(30)33-19)24-20(28)18-11-5-9-15-8-4-10-16(21(29)26(15)18)25-23(31)32-13-14-6-2-1-3-7-14/h1-3,6-7,15-18,22,30H,4-5,8-13H2,(H,24,28)(H,25,31)/t15-,16-,17-,18-,22?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibitory activity against IL-1 beta converting enzyme				J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4
					More data for this Ligand-Target Pair
Caspase-1 (Mus musculus)	BDBM50072044 (CHEMBL419508 | [(4S,7S,10aS)-4-((S)-2-Hydroxy-5-ox...) Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCC[C@@H]2CCC[C@H](NC(=O)OCc3ccccc3)C(=O)N12 Show InChI InChI=1S/C23H29N3O7/c27-19-12-17(22(30)33-19)24-20(28)18-11-5-9-15-8-4-10-16(21(29)26(15)18)25-23(31)32-13-14-6-2-1-3-7-14/h1-3,6-7,15-18,22,30H,4-5,8-13H2,(H,24,28)(H,25,31)/t15-,16-,17-,18-,22?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Idun Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against Caspase-1 using Ac-TyrValAlaAsp-amc as substrate				Bioorg Med Chem Lett 8: 2757-62 (1999) BindingDB Entry DOI: 10.7270/Q2KP8198
					More data for this Ligand-Target Pair