BDBM50267656 1-(3-Chloro-4-methylphenyl)-3-(3-oxo-1,3-dihydroisobenzofuran-5-yl)thiourea::CHEMBL492070

SMILES Cc1ccc(NC(=S)Nc2ccc3COC(=O)c3c2)cc1Cl

InChI Key InChIKey=PLIIEBLRLWYQGK-UHFFFAOYSA-N

Data  2 IC50  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50267656   

TargetPeptidyl-prolyl cis-trans isomerase A(Human)
Peking University

Curated by ChEMBL
LigandPNGBDBM50267656(1-(3-Chloro-4-methylphenyl)-3-(3-oxo-1,3-dihydrois...)
Affinity DataIC50: 590nMAssay Description:Inhibition of human cyclophilin A at 6 degCMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetPeptidyl-prolyl cis-trans isomerase A(Human)
Peking University

Curated by ChEMBL
LigandPNGBDBM50267656(1-(3-Chloro-4-methylphenyl)-3-(3-oxo-1,3-dihydrois...)
Affinity DataKd:  9.66E+4nMAssay Description:Binding affinity to human cyclophilin A by intrinsic tryptophan fluorescence titration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetPeptidyl-prolyl cis-trans isomerase A(Human)
Peking University

Curated by ChEMBL
LigandPNGBDBM50267656(1-(3-Chloro-4-methylphenyl)-3-(3-oxo-1,3-dihydrois...)
Affinity DataIC50: 590nMAssay Description:Inhibition of Homo sapiens (human) cyclophilin A PPIase activity expressed in Escherichia coli BL21(DE3) using Suc-AAPF-pNA as substrate measured aft...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article

TargetPeptidyl-prolyl cis-trans isomerase A(Human)
Peking University

Curated by ChEMBL
LigandPNGBDBM50267656(1-(3-Chloro-4-methylphenyl)-3-(3-oxo-1,3-dihydrois...)
Affinity DataKd:  9.66E+4nMAssay Description:Binding affinity to Homo sapiens (human) cyclophilin A expressed in Escherichia coli BL21(DE3) by fluorescence titration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article