Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50324939'   

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))	BDBM50324939 ((2R)-2-((2S)-2-isopropyl-4-oxo-4-(3-phenoxypiperid...) Show SMILES CC(C)[C@H](CC(=O)N1CCCC(C1)Oc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C22H30N2O6/c1-15(2)19(22(29)23-16(14-25)11-21(27)28)12-20(26)24-10-6-9-18(13-24)30-17-7-4-3-5-8-17/h3-5,7-8,14-16,18-19H,6,9-13H2,1-2H3,(H,23,29)(H,27,28)/t16-,18?,19-/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	21.5	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))	BDBM50324939 ((2R)-2-((2S)-2-isopropyl-4-oxo-4-(3-phenoxypiperid...) Show SMILES CC(C)[C@H](CC(=O)N1CCCC(C1)Oc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C22H30N2O6/c1-15(2)19(22(29)23-16(14-25)11-21(27)28)12-20(26)24-10-6-9-18(13-24)30-17-7-4-3-5-8-17/h3-5,7-8,14-16,18-19H,6,9-13H2,1-2H3,(H,23,29)(H,27,28)/t16-,18?,19-/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	170	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