Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50324944'   

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))	BDBM50324944 ((R)-2-((S)-2-isopropyl-4-(3-(4-methoxyphenyl)propy...) Show SMILES COc1ccc(CCCNC(=O)C[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C=O)cc1 |r| Show InChI InChI=1S/C21H30N2O6/c1-14(2)18(21(28)23-16(13-24)11-20(26)27)12-19(25)22-10-4-5-15-6-8-17(29-3)9-7-15/h6-9,13-14,16,18H,4-5,10-12H2,1-3H3,(H,22,25)(H,23,28)(H,26,27)/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	70.9	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))	BDBM50324944 ((R)-2-((S)-2-isopropyl-4-(3-(4-methoxyphenyl)propy...) Show SMILES COc1ccc(CCCNC(=O)C[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C=O)cc1 |r| Show InChI InChI=1S/C21H30N2O6/c1-14(2)18(21(28)23-16(13-24)11-20(26)27)12-19(25)22-10-4-5-15-6-8-17(29-3)9-7-15/h6-9,13-14,16,18H,4-5,10-12H2,1-3H3,(H,22,25)(H,23,28)(H,26,27)/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	410	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