Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50324956'   

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))	BDBM50324956 ((R)-2-((S)-2-isopropyl-4-(2-(5-methyl-1H-benzo[d]i...) Show SMILES CC(C)[C@H](CC(=O)NCCn1cnc2cc(C)ccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C21H28N4O5/c1-13(2)16(21(30)24-15(11-26)9-20(28)29)10-19(27)22-6-7-25-12-23-17-8-14(3)4-5-18(17)25/h4-5,8,11-13,15-16H,6-7,9-10H2,1-3H3,(H,22,27)(H,24,30)(H,28,29)/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	4.85	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))	BDBM50324956 ((R)-2-((S)-2-isopropyl-4-(2-(5-methyl-1H-benzo[d]i...) Show SMILES CC(C)[C@H](CC(=O)NCCn1cnc2cc(C)ccc12)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C21H28N4O5/c1-13(2)16(21(30)24-15(11-26)9-20(28)29)10-19(27)22-6-7-25-12-23-17-8-14(3)4-5-18(17)25/h4-5,8,11-13,15-16H,6-7,9-10H2,1-3H3,(H,22,27)(H,24,30)(H,28,29)/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	15.3	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