Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50324959'   

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))	BDBM50324959 ((S)-3-((S)-2-isopropyl-4-oxo-4-(2-(2-(pyridin-3-yl...) Show SMILES CC(C)[C@H](CC(=O)NCCn1c(nc2ccccc12)-c1cccnc1)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C25H29N5O5/c1-16(2)19(25(35)28-18(15-31)12-23(33)34)13-22(32)27-10-11-30-21-8-4-3-7-20(21)29-24(30)17-6-5-9-26-14-17/h3-9,14-16,18-19H,10-13H2,1-2H3,(H,27,32)(H,28,35)(H,33,34)/t18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.85	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))	BDBM50324959 ((S)-3-((S)-2-isopropyl-4-oxo-4-(2-(2-(pyridin-3-yl...) Show SMILES CC(C)[C@H](CC(=O)NCCn1c(nc2ccccc12)-c1cccnc1)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C25H29N5O5/c1-16(2)19(25(35)28-18(15-31)12-23(33)34)13-22(32)27-10-11-30-21-8-4-3-7-20(21)29-24(30)17-6-5-9-26-14-17/h3-9,14-16,18-19H,10-13H2,1-2H3,(H,27,32)(H,28,35)(H,33,34)/t18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	26.5	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