BDBM50389704 CHEMBL2070081::US10544104, Compound 150::US9518026, Example 9::US9765037, Compound 150::US9956214, Compound 9

SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCN(C)CC2)c2ncnc(N)c12

InChI Key InChIKey=KONPIFGGWNMOKY-UHFFFAOYSA-N

Data  20 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50389704   

TargetTyrosine-protein kinase ABL1(Human)
University of Washington

Curated by ChEMBL

LigandBDBM50389704(CHEMBL2070081 | US10544104, Compound 150 | US95180...)Copy SMILESCopy InChI

Affinity DataIC50:  4.60E+3nMAssay Description:Inhibition of human ABL using EAIYAAPFAKKK-OH as substrate by phosphorimaging methodMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
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TargetPotassium voltage-gated channel subfamily H member 2(Human)
Shandong First Medical University and Shandong Academy of Medical Sciences

Curated by ChEMBL

LigandBDBM50389704(CHEMBL2070081 | US10544104, Compound 150 | US95180...)Copy SMILESCopy InChI

Affinity DataIC50:  400nMAssay Description:Inhibition of hERGMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
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TargetMitogen-activated protein kinase 14(Human)
University of Washington

Curated by ChEMBL

LigandBDBM50389704(CHEMBL2070081 | US10544104, Compound 150 | US95180...)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human p38alpha using myelin basic protein as substrate after 180 minsMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
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TargetEphrin type-A receptor 3(Human)
University of Washington

Curated by ChEMBL

LigandBDBM50389704(CHEMBL2070081 | US10544104, Compound 150 | US95180...)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human EPHA3 using myelin basic protein as substrate after 120 minsMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathway
UniProtKB/SwissProt
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TargetTyrosine-protein kinase CSK(Human)
University of Washington

Curated by ChEMBL

LigandBDBM50389704(CHEMBL2070081 | US10544104, Compound 150 | US95180...)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human CSK using Ac-KKKKEEIYFFF-OH as substrate after 180 minsMore data for this Ligand-Target Pair

Target InfoPDBMMDBNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
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TargetEpidermal growth factor receptor(Human)
University of Washington

Curated by ChEMBL

LigandBDBM50389704(CHEMBL2070081 | US10544104, Compound 150 | US95180...)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human EGFR using poly glu-Tyr as substrate after 30 minsMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
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TargetProto-oncogene tyrosine-protein kinase Src(Human)
University of Washington

Curated by ChEMBL

LigandBDBM50389704(CHEMBL2070081 | US10544104, Compound 150 | US95180...)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay 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
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TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington Through Its Center For Commercialization

US Patent

LigandBDBM50389704(CHEMBL2070081 | US10544104, Compound 150 | US95180...)Copy SMILESCopy InChI

Affinity DataIC50:  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 InfoPDB
UniProtKB/TrEMBL
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PDB3D Structure (crystal)
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TargetUncharacterized protein(Cryptosporidium parvum)
University of Washington Through Its Center For Commercialization

US Patent

LigandBDBM50389704(CHEMBL2070081 | US10544104, Compound 150 | US95180...)Copy SMILESCopy InChI

Affinity DataIC50:  1nMAssay 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

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

Curated by ChEMBL

LigandBDBM50389704(CHEMBL2070081 | US10544104, Compound 150 | US95180...)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human tyrosine kinases.More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
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Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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TargetTyrosine-protein kinase ABL1(Human)
University of Washington

Curated by ChEMBL

LigandBDBM50389704(CHEMBL2070081 | US10544104, Compound 150 | US95180...)Copy SMILESCopy InChI

Affinity DataIC50: >3.00E+3nMAssay Description:Inhibition of human tyrosine kinases.More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

In DepthDetails US Patent

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TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington Through Its Center For Commercialization

US Patent

LigandBDBM50389704(CHEMBL2070081 | US10544104, Compound 150 | US95180...)Copy SMILESCopy InChI

Affinity DataIC50:  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 InfoPDB
UniProtKB/TrEMBL
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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

LigandBDBM50389704(CHEMBL2070081 | US10544104, Compound 150 | US95180...)Copy SMILESCopy InChI

Affinity DataIC50:  1nMAssay 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

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In DepthDetails US Patent

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TargetCalcium-dependent protein kinase 4(Plasmodium falciparum (isolate 3D7))
TBA

Curated by ChEMBL

LigandBDBM50389704(CHEMBL2070081 | US10544104, Compound 150 | US95180...)Copy SMILESCopy InChI

Affinity DataIC50:  10nMAssay Description:Inhibition of Plasmodium falciparum CDPK4 using syntide-2 as substrate by luminescence assayMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
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TargetProto-oncogene tyrosine-protein kinase Src(Human)
University of Washington

Curated by ChEMBL

LigandBDBM50389704(CHEMBL2070081 | US10544104, Compound 150 | US95180...)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay 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 InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

In DepthDetails US Patent

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TargetTyrosine-protein kinase ABL1(Human)
University of Washington

Curated by ChEMBL

LigandBDBM50389704(CHEMBL2070081 | US10544104, Compound 150 | US95180...)Copy SMILESCopy InChI

Affinity DataIC50: >3.00E+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 InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

In DepthDetails US Patent

Copy BDB DOI
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TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
University of Washington Through Its Center For Commercialization

US Patent

LigandBDBM50389704(CHEMBL2070081 | US10544104, Compound 150 | US95180...)Copy SMILESCopy InChI

Affinity DataIC50:  2.90nMAssay Description:Inhibition of recombinant Toxoplasma gondii CDPK1 using Biotin-C6-PLARTLSVAGLPGKK as substrate after 90 mins in presence of ATP by luciferase reporte...More data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/TrEMBL
GoogleScholar

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In DepthDetails ArticlePubMedPDB3D Structure (crystal)
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TargetPotassium voltage-gated channel subfamily H member 2(Human)
Shandong First Medical University and Shandong Academy of Medical Sciences

Curated by ChEMBL

LigandBDBM50389704(CHEMBL2070081 | US10544104, Compound 150 | US95180...)Copy SMILESCopy InChI

Affinity DataIC50:  400nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

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

Curated by ChEMBL

LigandBDBM50389704(CHEMBL2070081 | US10544104, Compound 150 | US95180...)Copy SMILESCopy InChI

Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of chicken Src using AcEIYGEFKKK as substrate after 90 mins in presence of ATP by luciferase reporter gene assayMore data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
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TargetTyrosine-protein kinase Lck(Human)
University of Washington

Curated by ChEMBL

LigandBDBM50389704(CHEMBL2070081 | US10544104, Compound 150 | US95180...)Copy SMILESCopy InChI

Affinity DataIC50:  3.30E+3nMAssay Description:Inhibition of human LCK using Ac-EIYGEFKKK-OH as substrate after 60 minsMore data for this Ligand-Target Pair

Target InfoPDBReactome pathway
UniProtKB/SwissProt
antibodypediaGoogleScholar

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