null

SMILES CNC(=O)c1ccccc1Nc1nc(Nc2ccc3C[C@@H](CCCc3c2OC)N2CCN(CCO)CC2)ncc1Cl

InChI Key InChIKey=BCSHRERPHLTPEE-OAQYLSRUSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50193810   

TargetCytochrome P450 1A2(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50193810(CHEMBL3972653)copy SMILEScopy InChI
Affinity DataIC50: 5.60E+3nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D79DC2PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50193810(CHEMBL3972653)copy SMILEScopy InChI
Affinity DataIC50: 5.60E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone/midazolam as substrate in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D79DC2PubMed
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50193810(CHEMBL3972653)copy SMILEScopy InChI
Affinity DataIC50: 5.70nMAssay Description:Inhibition of human ALK expressed in baculovirus using recombinant GST PLC-gamma as substrate assessed as phosphorylation of the substrate after 15 m...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D79DC2PubMed
TargetInsulin receptor(Homo sapiens (Human))
Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL
LigandPNGBDBM50193810(CHEMBL3972653)copy SMILEScopy InChI
Affinity DataIC50: 81nMAssay Description:Inhibition of recombinant human INSR expressed in baculovirus using ATP as substrate after 15 mins by TRF assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D79DC2PubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL
LigandPNGBDBM50193810(CHEMBL3972653)copy SMILEScopy InChI
Affinity DataIC50: 5.60E+3nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D79DC2PubMed
TargetFocal adhesion kinase 1(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50193810(CHEMBL3972653)copy SMILEScopy InChI
Affinity DataIC50: 1nMAssay Description:Inhibition of human FAK expressed in baculovirus after 30 mins using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate by TRF assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D79DC2PubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50193810(CHEMBL3972653)copy SMILEScopy InChI
Affinity DataIC50: 5.60E+3nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D79DC2PubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL
LigandPNGBDBM50193810(CHEMBL3972653)copy SMILEScopy InChI
Affinity DataIC50: 5.60E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D79DC2PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL
LigandPNGBDBM50193810(CHEMBL3972653)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D79DC2PubMed
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Teva Branded Pharmaceutical Products R&D

Curated by ChEMBL
LigandPNGBDBM50193810(CHEMBL3972653)copy SMILEScopy InChI
Affinity DataIC50: 50nMAssay Description:Inhibition of NPM-ALK phosphorylation in human SUP-M2 cells after 2 to 3 hrs by ELISAMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D79DC2PubMed