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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' AND taxid = 5811   
Target
(Institution)
LigandTarget
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
Mitogen-activated protein kinase 1


(Toxoplasma gondii)
BDBM13336
PNG
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents


Similars

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Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii recombinant MAPK1 expressed in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Toxoplasma gondii)
BDBM50295553
PNG
(4-(4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-(pyridi...)
Show SMILES OCCC#Cc1nc(c(-c2ccncc2)n1CCCc1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H24FN3O/c28-24-13-11-22(12-14-24)26-27(23-15-17-29-18-16-23)31(25(30-26)10-4-5-20-32)19-6-9-21-7-2-1-3-8-21/h1-3,7-8,11-18,32H,5-6,9,19-20H2
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

AffyNet 
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Tulane University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of Toxoplasma gondii recombinant MAPK1 expressed in Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair