BDBM50345704 1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (3)::1-tert-butyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine::1-tert-butyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (3)::1-tert-butyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine::CHEMBL1231371::CHEMBL2069957::US10544104, Compound 2::US11247972, Compound 2::US9518026, Example 2::US9765037, Compound 2::US9956214, Compound 2

SMILES CC(C)(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12

InChI Key InChIKey=ILKDWZKZLIHMFM-UHFFFAOYSA-N

Data  27 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 50345704   

TargetPhospholipase D1(Human)
University of Massachusetts Boston

LigandBDBM50345704(1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...)Copy SMILESCopy InChI

Affinity DataIC50:  500nMT: 37°CAssay Description:PLD enzymes (50 nM) were reconstituted with phospholipid vesicle substrates. All assays were performed at 37 C with agitation for 30 min. Reactions...More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
DrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
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TargetCalcium/calmodulin dependent protein kinase with a kinas domain and 4 calmodulin-like EF hands(Cryptosporidium parvum (strain Iowa II))
University of Washington Through Its Center For Commercialization

US Patent

LigandBDBM50345704(1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...)Copy SMILESCopy InChI

Affinity DataIC50:  59nMAssay Description:Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 pepti...More data for this Ligand-Target Pair

Target InfoUniProtKB/TrEMBL
GoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails US Patent

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TargetPhospholipase D(Streptomyces sp. PMF)
University of Massachusetts Boston

LigandBDBM50345704(1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...)Copy SMILESCopy InChI

Affinity DataIC50:  375nMT: 37°CAssay Description:PLD enzymes (50 nM) were reconstituted with phospholipid vesicle substrates. All assays were performed at 37 C with agitation for 30 min. Reactions...More data for this Ligand-Target Pair

Target InfoPDBMMDB
UniProtKB/TrEMBL
B.MOADDrugBankGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

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TargetPhospholipase D(Streptomyces chromofuscus)
Roxbury Community College

LigandBDBM50345704(1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...)Copy SMILESCopy InChI

Affinity DataIC50:  25nMpH: 8.0Assay Description:A NaOH stock solution (50 mM) was standardized with KHP then diluted in Millipore water (10-fold serial dilutions) then used to hold the pH constant ...More data for this Ligand-Target Pair

Target InfoUniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

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TargetCalcium-dependent protein kinase 4(Plasmodium falciparum (isolate 3D7))
Montclair State University

Curated by ChEMBL

LigandBDBM50345704(1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...)Copy SMILESCopy InChI

Affinity DataIC50:  177nMAssay Description:Inhibition of CDPK4 in Plasmodium falciparum 3D7 microgametesMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

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TargetProto-oncogene tyrosine-protein kinase Src(Human)
University of Washington

Curated by ChEMBL

LigandBDBM50345704(1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of SRC catlytic domain assessed as inhibition of [gamma-33P]ATP incorporation into Ac-EIYGEFKKK-OH substrate after 30 mins by phosphorimag...More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

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TargetTyrosine-protein kinase ABL1(Human)
University of Washington

Curated by ChEMBL

LigandBDBM50345704(1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of ABL catlytic domain assessed as inhibition of [gamma-33P]ATP incorporation into Ac-EAIYAAPFAKKK-OH substrate after 30 mins by phosphori...More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

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TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL

LigandBDBM50345704(1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...)Copy SMILESCopy InChI

Affinity DataIC50:  15nMAssay Description:Inhibition of Toxoplasma gondii recombinant N-terminal hexahistidine tagged CDPK1 expressed in Escherichia coli using syntide-2 as substrate after 90...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/TrEMBL
GoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetProto-oncogene tyrosine-protein kinase Src(Human)
University of Washington

Curated by ChEMBL

LigandBDBM50345704(1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...)Copy SMILESCopy InChI

Affinity DataIC50:  120nMAssay Description:Inhibition of human SRC using Ac-EIYGEFKKK-OH as substrate after 60 mins by phosphorimaging methodMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
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TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL

LigandBDBM50345704(1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...)Copy SMILESCopy InChI

Affinity DataIC50:  8nMAssay Description:Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 pepti...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/TrEMBL
GoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails US Patent
PDB3D Structure (crystal)
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TargetUncharacterized protein(Cryptosporidium parvum)
University of Washington Through Its Center For Commercialization

US Patent

LigandBDBM50345704(1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...)Copy SMILESCopy InChI

Affinity DataIC50:  16nMAssay Description:Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 pepti...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/TrEMBL
GoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails US Patent

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TargetProto-oncogene tyrosine-protein kinase Src(Human)
University of Washington

Curated by ChEMBL

LigandBDBM50345704(1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...)Copy SMILESCopy InChI

Affinity DataIC50:  1.90E+3nMAssay Description:Inhibition of human tyrosine kinases.More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails US Patent

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TargetTyrosine-protein kinase ABL1(Human)
University of Washington

Curated by ChEMBL

LigandBDBM50345704(1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...)Copy SMILESCopy InChI

Affinity DataIC50:  6.00E+3nMAssay Description:Inhibition of human tyrosine kinases.More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails US Patent

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TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL

LigandBDBM50345704(1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...)Copy SMILESCopy InChI

Affinity DataIC50:  15nMAssay Description:Most known kinase inhibitors bind in the ATP-binding pocket of the active site19,20. These inhibitors exploit many of the same hydrophobic contacts a...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/TrEMBL
GoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails US Patent
PDB3D Structure (crystal)
Copy BDB DOI
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TargetCalcium-dependent protein kinase 1(Cryptosporidium parvum)
University of Washington Through Its Center For Commercialization

US Patent

LigandBDBM50345704(1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...)Copy SMILESCopy InChI

Affinity DataIC50:  59nMAssay Description:Two types of enzyme assays were developed to follow TgCDPK1 activity, a radiometric scintillation proximity assay measured the labeled γ-phospha...More data for this Ligand-Target Pair

Target InfoUniProtKB/TrEMBL
GoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails US Patent

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TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL

LigandBDBM50345704(1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...)Copy SMILESCopy InChI

Affinity DataIC50:  8nMAssay Description:Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 pepti...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/TrEMBL
GoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails US Patent
PDB3D Structure (crystal)
Copy BDB DOI
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TargetCalcium-dependent protein kinase 1(Cryptosporidium parvum)
University of Washington Through Its Center For Commercialization

US Patent

LigandBDBM50345704(1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...)Copy SMILESCopy InChI

Affinity DataIC50:  16nMAssay Description:Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 pepti...More data for this Ligand-Target Pair

Target InfoUniProtKB/TrEMBL
GoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails US Patent

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TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington

Curated by ChEMBL

LigandBDBM50345704(1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...)Copy SMILESCopy InChI

Affinity DataIC50:  15nMAssay Description:Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 pepti...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/TrEMBL
GoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails US Patent
PDB3D Structure (crystal)
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TargetCalmodulin-domain protein kinase 1, putative(Cryptosporidium parvum (strain Iowa II))
University of Washington Through Its Center For

US Patent

LigandBDBM50345704(1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...)Copy SMILESCopy InChI

Affinity DataIC50:  59nMAssay Description:Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 pepti...More data for this Ligand-Target Pair

Target InfoPDBMMDB
UniProtKB/TrEMBL
B.MOADGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails US Patent

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TargetProto-oncogene tyrosine-protein kinase Src(Human)
University of Washington

Curated by ChEMBL

LigandBDBM50345704(1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...)Copy SMILESCopy InChI

Affinity DataIC50:  1.90E+3nMAssay Description:Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 pepti...More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails US Patent

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TargetTyrosine-protein kinase ABL1(Human)
University of Washington

Curated by ChEMBL

LigandBDBM50345704(1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...)Copy SMILESCopy InChI

Affinity DataIC50:  6.00E+3nMAssay Description:Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 pepti...More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails US Patent

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TargetTransitional endoplasmic reticulum ATPase(Human)
California Institute of Technology

Curated by ChEMBL

LigandBDBM50345704(1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of His6-tagged p97 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as reduction in ATPase activity measured after 60 mi...More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
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TargetTransitional endoplasmic reticulum ATPase(Human)
California Institute of Technology

Curated by ChEMBL

LigandBDBM50345704(1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...)Copy SMILESCopy InChI

Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of p97 in human HeLa cells assessed as reduction in proteasomal turnover of p97-dependent reporter substrate UbG76V-GFP incubated for 120 ...More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
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TargetTyrosine-protein kinase ABL1(Human)
University of Washington

Curated by ChEMBL

LigandBDBM50345704(1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...)Copy SMILESCopy InChI

Affinity DataIC50:  6.00E+3nMAssay Description:Kinase phosphorylation reactions were performed in a buffered medium containing 20 mM HEPES pH 7.5 (KOH), 0.1% BSA, 10 mM MgCl2, 1 mM EGTA (pH 7.2), ...More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails US Patent

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TargetProto-oncogene tyrosine-protein kinase Src(Human)
University of Washington

Curated by ChEMBL

LigandBDBM50345704(1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...)Copy SMILESCopy InChI

Affinity DataIC50:  1.90E+3nMAssay Description:Kinase phosphorylation reactions were performed in a buffered medium containing 20 mM HEPES pH 7.5 (KOH), 0.1% BSA, 10 mM MgCl2, 1 mM EGTA (pH 7.2), ...More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails US Patent

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TargetcGMP-dependent protein kinase(Toxoplasma gondii)
University of Washington Through Its Center For Commercialization

US Patent

LigandBDBM50345704(1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...)Copy SMILESCopy InChI

Affinity DataIC50:  15nMAssay Description:Inhibition of TgCDPK1 and CpCDPK1 was determined using a luminescent kinase assay which measures ATP depletion in the presence of the Syntide 2 pepti...More data for this Ligand-Target Pair

Target InfoUniProtKB/SwissProt
GoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails US Patent

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TargetPhospholipase D2(Human)
University of Massachusetts Boston

LigandBDBM50345704(1-(tert-butyl)-3-(naphthalen-2-yl)-1H-pyrazolo[3,4...)Copy SMILESCopy InChI

Affinity DataIC50:  150nMT: 37°CAssay Description:PLD enzymes (50 nM) were reconstituted with phospholipid vesicle substrates. All assays were performed at 37 C with agitation for 30 min. Reactions...More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
DrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI
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