Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50324940'   

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))	BDBM50324940 ((R)-2-((S)-4-((2-carboxyethyl)(2-phenoxyethyl)amin...) Show SMILES CC(C)[C@H](CC(=O)N(CCOc1ccccc1)CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C22H30N2O8/c1-15(2)18(22(31)23-16(14-25)12-21(29)30)13-19(26)24(9-8-20(27)28)10-11-32-17-6-4-3-5-7-17/h3-7,14-16,18H,8-13H2,1-2H3,(H,23,31)(H,27,28)(H,29,30)/t16-,18-/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	9.24	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))	BDBM50324940 ((R)-2-((S)-4-((2-carboxyethyl)(2-phenoxyethyl)amin...) Show SMILES CC(C)[C@H](CC(=O)N(CCOc1ccccc1)CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C22H30N2O8/c1-15(2)18(22(31)23-16(14-25)12-21(29)30)13-19(26)24(9-8-20(27)28)10-11-32-17-6-4-3-5-7-17/h3-7,14-16,18H,8-13H2,1-2H3,(H,23,31)(H,27,28)(H,29,30)/t16-,18-/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	114	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