Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50289401'   

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))	BDBM50289401 ((S)-3-(2-{5-[(Naphthalene-1-carbonyl)-amino]-6-oxo...) Show SMILES OC(=O)C[C@H](NC(=O)Cn1c(ncc(NC(=O)c2cccc3ccccc23)c1=O)-c1ccccc1)C(=O)COc1ccccc1 Show InChI InChI=1S/C34H28N4O7/c39-29(21-45-24-14-5-2-6-15-24)27(18-31(41)42)36-30(40)20-38-32(23-11-3-1-4-12-23)35-19-28(34(38)44)37-33(43)26-17-9-13-22-10-7-8-16-25(22)26/h1-17,19,27H,18,20-21H2,(H,36,40)(H,37,43)(H,41,42)/t27-/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	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversible inhibition of recombinant human IL-1 beta converting enzyme.				Bioorg Med Chem Lett 7: 1337-1342 (1997) Article DOI: 10.1016/S0960-894X(97)00220-5 BindingDB Entry DOI: 10.7270/Q2DN452C
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