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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50072041'   
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)		BDBM50072041
PNG
(CHEMBL314286 | {(S)-1-[(S)-1-((S)-2-Hydroxy-5-oxo-...)
Show SMILES C[C@H](N1CCCC[C@H](NC(=O)OCc2ccccc2)C1=O)C(=O)N[C@H]1CC(=O)OC1O
Show InChI InChI=1S/C21H27N3O7/c1-13(18(26)22-16-11-17(25)31-20(16)28)24-10-6-5-9-15(19(24)27)23-21(29)30-12-14-7-3-2-4-8-14/h2-4,7-8,13,15-16,20,28H,5-6,9-12H2,1H3,(H,22,26)(H,23,29)/t13-,15-,16-,20?/m0/s1
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n/an/a 186n/an/an/an/an/an/a



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