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PubMed code 25418070

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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))
BDBM50033886
PNG
(CHEMBL2047937 | Ethyl 2-((2-Chlorophenyl)(Hydroxy)...)
Show SMILES CCOC(=O)C(=C)C(O)c1ccccc1Cl
Show InChI InChI=1S/C12H13ClO3/c1-3-16-12(15)8(2)11(14)9-6-4-5-7-10(9)13/h4-7,11,14H,2-3H2,1H3
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MMDB

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MCE
PC cid
PC sid
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Similars

Article
PubMed
9.60E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of caspase 1 (unknown origin) using N-acetyl-Tyr-Val-Ala-Asp-para-nitroanilide substrate assessed as rate of para-nitroanilide release by ...


J Med Chem 57: 10366-82 (2014)


Article DOI: 10.1021/jm501072b
BindingDB Entry DOI: 10.7270/Q29P337T
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))
BDBM50433441
PNG
(PARTHENOLIDE)
Show SMILES C\C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1 |r,c:1|
Show InChI InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13-,15+/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.06E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Torino

Curated by ChEMBL


Assay Description
Inhibition of caspase 1 (unknown origin) using N-acetyl-Tyr-Val-Ala-Asp-para-nitroanilide substrate assessed as rate of para-nitroanilide release by ...


J Med Chem 57: 10366-82 (2014)


Article DOI: 10.1021/jm501072b
BindingDB Entry DOI: 10.7270/Q29P337T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%