BDBM50372980 CHEMBL404150

SMILES NCCc1ccc(O)c(c1)C1CCCCC1

InChI Key InChIKey=DOCCSEDGBYCYLS-UHFFFAOYSA-N

Data  1 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50372980   

TargetOxidized purine nucleoside triphosphate hydrolase(Human)
University of Zurich

Curated by ChEMBL

LigandBDBM50372980(CHEMBL404150)Copy SMILESCopy InChI

Affinity DataIC50:  4.60E+4nMAssay Description:Inhibition of recombinant His-tagged MTH1 (unknown origin) expressed in Escherichia coli BL21(DE3) cells using dGTP as substrate incubated for 15 min...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLDrugBankMMDBPC cidPC sidPDB

In DepthDetails ArticlePubMed
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TargetBeta-secretase 1(Human)
F. Hoffmann-La Roche

Curated by ChEMBL

LigandBDBM50372980(CHEMBL404150)Copy SMILESCopy InChI

Affinity DataKd:  2.20E+5nMAssay Description:Binding affinity to BACE1 by surface plasmon resonance methodMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoCHEMBLDrugBankMMDBPC cidPC sidPDB

In DepthDetails ArticlePubMedMMDB
PDB3D Structure (crystal)
Copy BDB DOI