BDBM420962 US10479798, Compound 21

SMILES COc1cc2c(ccc3c2C[C@@H]([C@H](O3)c4cc(c(cc4F)F)F)N)cc1C#N

InChI Key InChIKey=OGGAKUIGELBYAA-UHFFFAOYSA-N

Data  2 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 420962   

TargetDipeptidyl peptidase 4(Human)
East China University of Science and Technology

US Patent
LigandPNGBDBM420962(US10479798, Compound 21)
Affinity DataIC50: 2nMAssay Description:Screening Method:Name of method: Activity Evaluation of DPP4, Fluorescence.Instrument: Microplate reader, Envision (PerkinElmer, USA).Material: human...More data for this Ligand-Target Pair
Ligand InfoPDBSimilars
In Depth
Date in BDB:
9/25/2020
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetDipeptidyl peptidase 4(Human)
East China University of Science and Technology

US Patent
LigandPNGBDBM420962(US10479798, Compound 21)
Affinity DataKd:  0.177nMAssay Description:Binding affinity to DPP4 (unknown origin) expressed in baculovirus expressing systemMore data for this Ligand-Target Pair
Ligand InfoPDBSimilars
In Depth
Date in BDB:
3/2/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPotassium voltage-gated channel subfamily H member 2(Human)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM420962(US10479798, Compound 21)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of human ERG by patch clamp assayMore data for this Ligand-Target Pair
Ligand InfoPDBSimilars
In Depth
Date in BDB:
3/2/2021
Entry Details Article
PubMed