Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50281181'   

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))	BDBM50281181 ((S)-3-{(S)-2-[(S)-3-Methyl-2-(3-phenyl-propionylam...) Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)Cc1ccccc1 Show InChI InChI=1S/C28H35N3O6/c1-18(2)26(31-24(33)15-14-20-10-6-4-7-11-20)28(37)29-19(3)27(36)30-22(17-25(34)35)23(32)16-21-12-8-5-9-13-21/h4-13,18-19,22,26H,14-17H2,1-3H3,(H,29,37)(H,30,36)(H,31,33)(H,34,35)/t19-,22-,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for its inhibitory activity against IL-1 beta converting enzyme				Bioorg Med Chem Lett 3: 2689-2692 (1993) Article DOI: 10.1016/S0960-894X(01)80743-5 BindingDB Entry DOI: 10.7270/Q2BV7GJZ
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