BDBM50236524 CHEMBL3718004

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

InChI Key InChIKey=MJTMTQQRDNWPGK-SNVBAGLBSA-N

Data  1 KI  2 K_off

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)

Curated by ChEMBL

LigandBDBM50236524(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

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

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

Curated by ChEMBL

LigandBDBM50236524(CHEMBL3718004)Copy SMILESCopy InChI

Affinity DataK_on:  0.270M^-1s^-1Assay Description:Binding affinity towards human Dopamine receptor D2 (short) by [3H]-spiperone displacement.More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Vernalis (R&D)

Curated by ChEMBL

LigandBDBM50236524(CHEMBL3718004)Copy SMILESCopy InChI

Affinity DataK_on:  0.600M^-1s^-1Assay Description:Binding affinity to HSP90A (unknown origin) by surface plasmon resonance methodMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLPC cidPC sidSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI