Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50176496'   

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))	BDBM50176496 ((3S)-3-(6-(4-(6-methylquinoxalin-2-ylamino)benzami...) Show SMILES Cc1ccc2nc(Nc3ccc(cc3)C(=O)NCCCCC(C(=O)N[C@@H](CC(O)=O)C=O)c3cccs3)cnc2c1 Show InChI InChI=1S/C30H31N5O5S/c1-19-7-12-24-25(15-19)32-17-27(35-24)33-21-10-8-20(9-11-21)29(39)31-13-3-2-5-23(26-6-4-14-41-26)30(40)34-22(18-36)16-28(37)38/h4,6-12,14-15,17-18,22-23H,2-3,5,13,16H2,1H3,(H,31,39)(H,33,35)(H,34,40)(H,37,38)/t22-,23?/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	5	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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