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SMILES C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(O)cc1O

InChI Key InChIKey=MJTMTQQRDNWPGK-SNVBAGLBSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50236524   

Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(Homo sapiens (Human))
Vernalis (R&D) Ltd.

Curated by ChEMBL
LigandPNGBDBM50236524(CHEMBL3718004)copy SMILEScopy InChI
Affinity DataKi:  1.17E+3nMAssay Description:Binding affinity to PDHK1 (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XG9TDJPubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(Homo sapiens (Human))
Vernalis (R&D) Ltd.

Curated by ChEMBL
LigandPNGBDBM50236524(CHEMBL3718004)copy SMILEScopy InChI
Affinity DataKon:  0.270M-1s-1Assay Description:Binding affinity towards human Dopamine receptor D2 (short) by [3H]-spiperone displacement.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XG9TDJPubMed
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Vernalis (R&D) Ltd.

Curated by ChEMBL
LigandPNGBDBM50236524(CHEMBL3718004)copy SMILEScopy InChI
Affinity DataKon:  0.600M-1s-1Assay Description:Binding affinity to HSP90A (unknown origin) by surface plasmon resonance methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XG9TDJPubMed