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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50072040'   
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)		BDBM50072040
PNG
(3-Acetylamino-N-{(S)-1-[(S)-1-((S)-2-hydroxy-5-oxo...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@H]1CC(=O)OC1O
Show InChI InChI=1S/C18H28N4O9/c1-7(2)14(22-16(28)10(5-12(24)25)20-9(4)23)17(29)19-8(3)15(27)21-11-6-13(26)31-18(11)30/h7-8,10-11,14,18,30H,5-6H2,1-4H3,(H,19,29)(H,20,23)(H,21,27)(H,22,28)(H,24,25)/t8-,10-,11-,14-,18?/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