Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50324943'   

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))	BDBM50324943 ((S)-3-((S)-2-isopropyl-4-oxo-4-(3-oxo-3-phenylprop...) Show SMILES CC(C)[C@H](CC(=O)NCCC(=O)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C20H26N2O6/c1-13(2)16(20(28)22-15(12-23)10-19(26)27)11-18(25)21-9-8-17(24)14-6-4-3-5-7-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,21,25)(H,22,28)(H,26,27)/t15-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	118	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
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50324943 ((S)-3-((S)-2-isopropyl-4-oxo-4-(3-oxo-3-phenylprop...) Show SMILES CC(C)[C@H](CC(=O)NCCC(=O)c1ccccc1)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C20H26N2O6/c1-13(2)16(20(28)22-15(12-23)10-19(26)27)11-18(25)21-9-8-17(24)14-6-4-3-5-7-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,21,25)(H,22,28)(H,26,27)/t15-,16-/m0/s1	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	398	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
					More data for this Ligand-Target Pair