BDBM210070 US9270353, 17

SMILES C[C@]1(C=CSC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N

InChI Key InChIKey=VLLFGVHGKLDDLW-UHFFFAOYSA-N

Data  2 KI  15 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 210070   

TargetBeta-secretase 1(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM210070(US9270353, 17)
Affinity DataIC50: 9.80nMAssay Description:Inhibition of BACE1 (unknown origin) by HTRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 3A4(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM210070(US9270353, 17)
Affinity DataIC50: 1.00E+4nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 30 mins in presence of NADPH followed by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM210070(US9270353, 17)
Affinity DataIC50: 3.30E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using terfenadine as substrate incubated for 15 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM210070(US9270353, 17)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate incubated for 15 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM210070(US9270353, 17)
Affinity DataIC50: 2.10E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate incubated for 15 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM210070(US9270353, 17)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using ethoxyresorufin as substrate incubated for 15 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetCathepsin E(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM210070(US9270353, 17)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CatE (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetCathepsin D(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM210070(US9270353, 17)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CatD (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetBeta-secretase 2(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM210070(US9270353, 17)
Affinity DataIC50: 5.60nMAssay Description:Inhibition of BACE2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM210070(US9270353, 17)
Affinity DataIC50: 500nMAssay Description:Inhibition of human ERG expressed in HEK293 cells maintained at -80 mV membrane potential by manual patch-clamp techniqueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetBeta-secretase 1(Mouse)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM210070(US9270353, 17)
Affinity DataIC50: 9.70nMAssay Description:Inhibition of mouse BACE1 by HTRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM210070(US9270353, 17)
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate incubated for 15 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM210070(US9270353, 17)
Affinity DataIC50: 1.10nMAssay Description:Inhibition of BACE1 in human SH-SY5Y cells expressing wild type betaAPP assessed as reduction in amyloidbeta (1 to 40 residues) level incubated for 2...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 1(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM210070(US9270353, 17)
Affinity DataIC50: 9.80nMAssay Description:Inhibition of recombinant human BACE1 (43 to 454 residues) expressed in Escherichia coli BL21 (DE3) using Biotin-XSEVNLDAEFRHDSGC-Eu fluorogenic pept...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 1(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM210070(US9270353, 17)
Affinity DataIC50: 1.00E+3nMpH: 5.0Assay Description:48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/30/2017
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetBeta-secretase 1(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM210070(US9270353, 17)
Affinity DataKi:  0.130nMAssay Description:Displacement of [3H] JNJ-962 from BACE1 (unknown origin) expressed in HEK293 cell membranes assessed as inhibition constant at pH 6.2 by scintillatio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 2(Human)
Janssen Research & Development

Curated by ChEMBL
LigandPNGBDBM210070(US9270353, 17)
Affinity DataKi:  185nMAssay Description:Displacement of [3H] JNJ-962 from BACE2 (unknown origin) expressed in HEK293 cell membranes assessed as inhibition constant at pH 6.2 by scintillatio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2023
Entry Details Article
PubMed