Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50176512'   

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))	BDBM50176512 ((S)-4-oxo-3-(2-((4-(quinoxalin-2-ylamino)benzamido...) Show SMILES OC(=O)C[C@H](NC(=O)c1csc(CNC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)c1)C=O Show InChI InChI=1S/C25H21N5O5S/c31-13-18(10-23(32)33)29-25(35)16-9-19(36-14-16)11-27-24(34)15-5-7-17(8-6-15)28-22-12-26-20-3-1-2-4-21(20)30-22/h1-9,12-14,18H,10-11H2,(H,27,34)(H,28,30)(H,29,35)(H,32,33)/t18-/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	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals Curated by ChEMBL					Assay Description Inhibitory activity against human Caspase 1				Bioorg Med Chem Lett 16: 559-62 (2005) Article DOI: 10.1016/j.bmcl.2005.10.048 BindingDB Entry DOI: 10.7270/Q2251HRD
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