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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50282982'   
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


(Homo sapiens (Human))		BDBM50282982
PNG
(5-Benzylcarbamoyloxy-3-{(S)-2-[(S)-3-methyl-2-(3-p...)
Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)COC(=O)NCc1ccccc1
Show InChI InChI=1S/C30H38N4O8/c1-19(2)27(34-25(36)15-14-21-10-6-4-7-11-21)29(40)32-20(3)28(39)33-23(16-26(37)38)24(35)18-42-30(41)31-17-22-12-8-5-9-13-22/h4-13,19-20,23,27H,14-18H2,1-3H3,(H,31,41)(H,32,40)(H,33,39)(H,34,36)(H,37,38)/t20-,23?,27-/m0/s1
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PC cid
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Article
 120n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for inhibition of cysteine proteinase IL-1 beta converting enzyme (ICE)

Bioorg Med Chem Lett 4: 1965-1968 (1994)


Article DOI: 10.1016/S0960-894X(01)80544-8
BindingDB Entry DOI: 10.7270/Q24M94GD
More data for this
Ligand-Target Pair