BDBM50348310 CHEMBL1800911::US8772288, 1

SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)C(=O)NC1CC1

InChI Key InChIKey=WMXJYEDCJIDCNY-UHFFFAOYSA-N

Data  6 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50348310   

TargetMitogen-activated protein kinase 14(Human)
Almirall

US Patent

LigandBDBM50348310(CHEMBL1800911 | US8772288, 1)Copy SMILESCopy InChI

Affinity DataIC50:  1.30nMpH: 7.5 T: 25°CAssay Description:Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails US Patent
PDB3D Structure (crystal)
Copy BDB DOI
Copy reaction URL

TargetCytochrome P450 1A2(Human)
RhôNe-Poulenc Rorer

Curated by ChEMBL

LigandBDBM50348310(CHEMBL1800911 | US8772288, 1)Copy SMILESCopy InChI

Affinity DataIC50:  1.00E+4nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI
Copy reaction URL

TargetMitogen-activated protein kinase 14(Human)
Almirall

US Patent

LigandBDBM50348310(CHEMBL1800911 | US8772288, 1)Copy SMILESCopy InChI

Affinity DataIC50:  1.30nMAssay Description:Inhibition of P38alpha MAPK (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI
Copy reaction URL

TargetCytochrome P450 2C19(Human)
RhôNe-Poulenc Rorer

Curated by ChEMBL

LigandBDBM50348310(CHEMBL1800911 | US8772288, 1)Copy SMILESCopy InChI

Affinity DataIC50:  2.50E+4nMAssay Description:Inhibition of CYP2C19More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI
Copy reaction URL

TargetCytochrome P450 2D6(Human)
RhôNe-Poulenc Rorer

Curated by ChEMBL

LigandBDBM50348310(CHEMBL1800911 | US8772288, 1)Copy SMILESCopy InChI

Affinity DataIC50: >2.50E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair

Target InfoPDBReactome pathway
UniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI
Copy reaction URL

TargetCytochrome P450 2C9(Human)
RhôNe-Poulenc Rorer

Curated by ChEMBL

LigandBDBM50348310(CHEMBL1800911 | US8772288, 1)Copy SMILESCopy InChI

Affinity DataIC50:  1.00E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI
Copy reaction URL