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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50072043'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Caspase-1


(Mus musculus)		BDBM50072043
PNG
(CHEMBL92561 | [(3R,6S,9aR)-3-((S)-2-Hydroxy-5-oxo-...)
Show SMILES OC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CS[C@@H]2CCC[C@H](NC(=O)OCc3ccccc3)C(=O)N12
Show InChI InChI=1S/C21H25N3O7S/c25-17-9-14(20(28)31-17)22-18(26)15-11-32-16-8-4-7-13(19(27)24(15)16)23-21(29)30-10-12-5-2-1-3-6-12/h1-3,5-6,13-16,20,28H,4,7-11H2,(H,22,26)(H,23,29)/t13-,14-,15-,16+,20?/m0/s1
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Idun Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Caspase-1 using Ac-TyrValAlaAsp-amc as substrate

Bioorg Med Chem Lett 8: 2757-62 (1999)


BindingDB Entry DOI: 10.7270/Q2KP8198
More data for this
Ligand-Target Pair