BDBM50448118 CHEMBL3122113::US10590114, No. 80::US11111235, No. 80::US11591316, Compound 80::US9932325, Example 80

SMILES CNc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1C(F)(F)F

InChI Key InChIKey=ZPPUMAMZIMPJGP-UHFFFAOYSA-N

Data  3 KI  26 IC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50448118   

TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
TBA

Curated by ChEMBL

LigandBDBM50448118(CHEMBL3122113 | US10590114, No. 80 | US11111235, N...)Copy SMILESCopy InChI

Affinity DataKi:  0.600nMAssay Description:Inhibition of LRRK2 G2019S mutant (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
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TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
TBA

Curated by ChEMBL

LigandBDBM50448118(CHEMBL3122113 | US10590114, No. 80 | US11111235, N...)Copy SMILESCopy InChI

Affinity DataKi:  0.700nMAssay Description:Inhibition of LRRK2 (unknown origin)More data for this Ligand-Target Pair

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TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Genentech

Curated by ChEMBL

LigandBDBM50448118(CHEMBL3122113 | US10590114, No. 80 | US11111235, N...)Copy SMILESCopy InChI

Affinity DataKi:  150nMAssay Description:Inhibition of TTK (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBMMDBKEGG
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TargetLeucine-rich repeat serine/threonine-protein kinase 2 [G2019S](Homo sapiens (Human))
Denali Therapeutics

US Patent

LigandBDBM50448118(CHEMBL3122113 | US10590114, No. 80 | US11111235, N...)Copy SMILESCopy InChI

Affinity DataIC50: <30nMAssay Description:Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...More data for this Ligand-Target Pair

Target InfoPDB
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TargetLeucine-rich repeat serine/threonine-protein kinase 2 [G2019S](Homo sapiens (Human))
Denali Therapeutics

US Patent

LigandBDBM50448118(CHEMBL3122113 | US10590114, No. 80 | US11111235, N...)Copy SMILESCopy InChI

Affinity DataIC50: <30nMAssay Description:Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...More data for this Ligand-Target Pair

Target InfoPDB
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TargetLeucine-rich repeat serine/threonine-protein kinase 2 [G2019S](Homo sapiens (Human))
Denali Therapeutics

US Patent

LigandBDBM50448118(CHEMBL3122113 | US10590114, No. 80 | US11111235, N...)Copy SMILESCopy InChI

Affinity DataIC50: <30nMAssay Description:Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

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TargetLeucine-rich repeat serine/threonine-protein kinase 2 [G2019S](Homo sapiens (Human))
Denali Therapeutics

US Patent

LigandBDBM50448118(CHEMBL3122113 | US10590114, No. 80 | US11111235, N...)Copy SMILESCopy InChI

Affinity DataIC50: <30nMAssay Description:Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLMCE
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In DepthDetails US PatentPDB3D Structure (crystal)
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TargetLeucine-rich repeat serine/threonine-protein kinase 2 [G2019S](Homo sapiens (Human))
Denali Therapeutics

US Patent

LigandBDBM50448118(CHEMBL3122113 | US10590114, No. 80 | US11111235, N...)Copy SMILESCopy InChI

Affinity DataIC50: <30nMAssay Description:Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLMCE
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TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
TBA

Curated by ChEMBL

LigandBDBM50448118(CHEMBL3122113 | US10590114, No. 80 | US11111235, N...)Copy SMILESCopy InChI

Affinity DataIC50: <30nMAssay Description:Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLMCE
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In DepthDetails US PatentPDB3D Structure (crystal)
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TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
TBA

Curated by ChEMBL

LigandBDBM50448118(CHEMBL3122113 | US10590114, No. 80 | US11111235, N...)Copy SMILESCopy InChI

Affinity DataIC50: <30nMAssay Description:Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLMCE
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In DepthDetails US PatentPDB3D Structure (crystal)
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TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
TBA

Curated by ChEMBL

LigandBDBM50448118(CHEMBL3122113 | US10590114, No. 80 | US11111235, N...)Copy SMILESCopy InChI

Affinity DataIC50: <30nMAssay Description:Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLMCE
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In DepthDetails US PatentPDB3D Structure (crystal)
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TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
TBA

Curated by ChEMBL

LigandBDBM50448118(CHEMBL3122113 | US10590114, No. 80 | US11111235, N...)Copy SMILESCopy InChI

Affinity DataIC50: <30nMAssay Description:Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLMCE
PC cidPC sidPDBSimilars

In DepthDetails US PatentPDB3D Structure (crystal)
Copy BDB DOI

TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
TBA

Curated by ChEMBL

LigandBDBM50448118(CHEMBL3122113 | US10590114, No. 80 | US11111235, N...)Copy SMILESCopy InChI

Affinity DataIC50: <30nMAssay Description:Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLMCE
PC cidPC sidPDBSimilars

In DepthDetails US PatentPDB3D Structure (crystal)
Copy BDB DOI

TargetLeucine-rich repeat serine/threonine-protein kinase 2 [G2019S](Homo sapiens (Human))
Denali Therapeutics

US Patent

LigandBDBM50448118(CHEMBL3122113 | US10590114, No. 80 | US11111235, N...)Copy SMILESCopy InChI

Affinity DataIC50: <30nMAssay Description:Materials:LRRK2 G2019S enzymeSubstrate (LRRKtide)ATPTR-FRET dilution bufferpLRRKtide antibody384-well assay plateDMSOEnzyme Reaction Conditions50 mM ...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLMCE
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In DepthDetails US PatentPDB3D Structure (crystal)
Copy BDB DOI

TargetLeucine-rich repeat serine/threonine-protein kinase 2 [G2019S](Homo sapiens (Human))
Denali Therapeutics

US Patent

LigandBDBM50448118(CHEMBL3122113 | US10590114, No. 80 | US11111235, N...)Copy SMILESCopy InChI

Affinity DataIC50: <30nMAssay Description:Materials:LRRK2 G2019S enzymeSubstrate (LRRKtide)ATPTR-FRET dilution bufferpLRRKtide antibody384-well assay plateDMSOEnzyme Reaction Conditions50 mM ...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLMCE
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In DepthDetails US PatentPDB3D Structure (crystal)
Copy BDB DOI

TargetLeucine-rich repeat serine/threonine-protein kinase 2 [G2019S](Homo sapiens (Human))
Denali Therapeutics

US Patent

LigandBDBM50448118(CHEMBL3122113 | US10590114, No. 80 | US11111235, N...)Copy SMILESCopy InChI

Affinity DataIC50: <30nMAssay Description:Materials:LRRK2 G2019S enzymeSubstrate (LRRKtide)ATPTR-FRET dilution bufferpLRRKtide antibody384-well assay plateDMSOEnzyme Reaction Conditions50 mM ...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLMCE
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In DepthDetails US PatentPDB3D Structure (crystal)
Copy BDB DOI

TargetLeucine-rich repeat serine/threonine-protein kinase 2 [G2019S](Homo sapiens (Human))
Denali Therapeutics

US Patent

LigandBDBM50448118(CHEMBL3122113 | US10590114, No. 80 | US11111235, N...)Copy SMILESCopy InChI

Affinity DataIC50: <30nMAssay Description:Materials:LRRK2 G2019S enzymeSubstrate (LRRKtide)ATPTR-FRET dilution bufferpLRRKtide antibody384-well assay plateDMSOEnzyme Reaction Conditions50 mM ...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLMCE
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In DepthDetails US PatentPDB3D Structure (crystal)
Copy BDB DOI

TargetLeucine-rich repeat serine/threonine-protein kinase 2 [G2019S](Homo sapiens (Human))
Denali Therapeutics

US Patent

LigandBDBM50448118(CHEMBL3122113 | US10590114, No. 80 | US11111235, N...)Copy SMILESCopy InChI

Affinity DataIC50: <30nMAssay Description:Materials:LRRK2 G2019S enzymeSubstrate (LRRKtide)ATPTR-FRET dilution bufferpLRRKtide antibody384-well assay plateDMSOEnzyme Reaction Conditions50 mM ...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLMCE
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In DepthDetails US PatentPDB3D Structure (crystal)
Copy BDB DOI

TargetLeucine-rich repeat serine/threonine-protein kinase 2 [G2019S](Homo sapiens (Human))
Denali Therapeutics

US Patent

LigandBDBM50448118(CHEMBL3122113 | US10590114, No. 80 | US11111235, N...)Copy SMILESCopy InChI

Affinity DataIC50: <30nMAssay Description:Materials:LRRK2 G2019S enzymeSubstrate (LRRKtide)ATPTR-FRET dilution bufferpLRRKtide antibody384-well assay plateDMSOEnzyme Reaction Conditions50 mM ...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLMCE
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In DepthDetails US PatentPDB3D Structure (crystal)
Copy BDB DOI

TargetLeucine-rich repeat serine/threonine-protein kinase 2 [G2019S](Homo sapiens (Human))
Denali Therapeutics

US Patent

LigandBDBM50448118(CHEMBL3122113 | US10590114, No. 80 | US11111235, N...)Copy SMILESCopy InChI

Affinity DataIC50: <30nMAssay Description:Compounds were prepared by initially diluting to 1 mM with DMSO. 35 μL of reference compound solution, 35 μL of test compound solution, and...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
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In DepthDetails US PatentPDB3D Structure (crystal)
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TargetLeucine-rich repeat serine/threonine-protein kinase 2 [G2019S](Homo sapiens (Human))
Denali Therapeutics

US Patent

LigandBDBM50448118(CHEMBL3122113 | US10590114, No. 80 | US11111235, N...)Copy SMILESCopy InChI

Affinity DataIC50: <30nMAssay Description:Compounds were prepared by initially diluting to 1 mM with DMSO. 35 μL of reference compound solution, 35 μL of test compound solution, and...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
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In DepthDetails US PatentPDB3D Structure (crystal)
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TargetLeucine-rich repeat serine/threonine-protein kinase 2 [G2019S](Homo sapiens (Human))
Denali Therapeutics

US Patent

LigandBDBM50448118(CHEMBL3122113 | US10590114, No. 80 | US11111235, N...)Copy SMILESCopy InChI

Affinity DataIC50: <30nMAssay Description:Compounds were prepared by initially diluting to 1 mM with DMSO. 35 μL of reference compound solution, 35 μL of test compound solution, and...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
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In DepthDetails US PatentPDB3D Structure (crystal)
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TargetLeucine-rich repeat serine/threonine-protein kinase 2 [G2019S](Homo sapiens (Human))
Denali Therapeutics

US Patent

LigandBDBM50448118(CHEMBL3122113 | US10590114, No. 80 | US11111235, N...)Copy SMILESCopy InChI

Affinity DataIC50: <30nMAssay Description:Compounds were prepared by initially diluting to 1 mM with DMSO. 35 μL of reference compound solution, 35 μL of test compound solution, and...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
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Ligand InfoPurchaseCHEMBLMCE
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In DepthDetails US PatentPDB3D Structure (crystal)
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TargetLeucine-rich repeat serine/threonine-protein kinase 2 [G2019S](Homo sapiens (Human))
Denali Therapeutics

US Patent

LigandBDBM50448118(CHEMBL3122113 | US10590114, No. 80 | US11111235, N...)Copy SMILESCopy InChI

Affinity DataIC50: <30nMAssay Description:Compounds were prepared by initially diluting to 1 mM with DMSO. 35 μL of reference compound solution, 35 μL of test compound solution, and...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
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Ligand InfoPurchaseCHEMBLMCE
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In DepthDetails US PatentPDB3D Structure (crystal)
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TargetLeucine-rich repeat serine/threonine-protein kinase 2 [G2019S](Homo sapiens (Human))
Denali Therapeutics

US Patent

LigandBDBM50448118(CHEMBL3122113 | US10590114, No. 80 | US11111235, N...)Copy SMILESCopy InChI

Affinity DataIC50: <30nMAssay Description:Compounds were prepared by initially diluting to 1 mM with DMSO. 35 μL of reference compound solution, 35 μL of test compound solution, and...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
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In DepthDetails US PatentPDB3D Structure (crystal)
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TargetLeucine-rich repeat serine/threonine-protein kinase 2 [G2019S](Homo sapiens (Human))
Denali Therapeutics

US Patent

LigandBDBM50448118(CHEMBL3122113 | US10590114, No. 80 | US11111235, N...)Copy SMILESCopy InChI

Affinity DataIC50: <30nMAssay Description:Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...More data for this Ligand-Target Pair

Target InfoPDB
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In DepthDetails US PatentPDB3D Structure (crystal)
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TargetCytochrome P450 1A2(Homo sapiens (Human))
Genentech

Curated by ChEMBL

LigandBDBM50448118(CHEMBL3122113 | US10590114, No. 80 | US11111235, N...)Copy SMILESCopy InChI

Affinity DataIC50:  700nMAssay Description:Reversible inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate by mass spectrophotometric analysisMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
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In DepthDetails ArticlePubMed
Copy BDB DOI

TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
TBA

Curated by ChEMBL

LigandBDBM50448118(CHEMBL3122113 | US10590114, No. 80 | US11111235, N...)Copy SMILESCopy InChI

Affinity DataIC50:  3nMAssay Description:Inhibition of LRRK2 (unknown origin) phosphorylation by cell-based assayMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

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In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

TargetLeucine-rich repeat serine/threonine-protein kinase 2(Homo sapiens (Human))
TBA

Curated by ChEMBL

LigandBDBM50448118(CHEMBL3122113 | US10590114, No. 80 | US11111235, N...)Copy SMILESCopy InChI

Affinity DataIC50: <30nMAssay Description:Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLMCE
PC cidPC sidPDBSimilars

In DepthDetails US PatentPDB3D Structure (crystal)
Copy BDB DOI