null

SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1)N1CCC(CC1)N1CCN(C)CC1

InChI Key InChIKey=AILRADAXUVEEIR-UHFFFAOYSA-N

PDB links: 4 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 60 hits for monomerid = 50185140   

TargetReceptor-type tyrosine-protein kinase FLT3(Homo sapiens (Human))
ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 2.10nMAssay Description:Inhibition of human FLT3 using EAIYAAPFAKKK as substrate and [gamma-33P]ATP measured after 1 hrMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NK3H0QPubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
TargetInsulin receptor(Homo sapiens (Human))
ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 196nMAssay Description:Inhibition of human InsR using myelin basic protein as substrate and [gamma-33P]ATP measured after 1 hrMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NK3H0QPubMed
TargetInsulin-like growth factor 1 receptor(Homo sapiens (Human))
ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 25nMAssay Description:Inhibition of human IGF1R using KKKSPGEYVNIEFG as substrate and [gamma-33P]ATP measured after 1 hrMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NK3H0QPubMed
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 0.370nMAssay Description:Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]ATP measured after 1 hrMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 38nMAssay Description:Inhibition of recombinant human C-terminal His-tagged/N-terminal GST-tagged EGFR (668 to 1210 residues) T790M/L858R/C797S mutant using poly (Glu,Tyr)...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 51nMAssay Description:Inhibition of recombinant human EGFR T790M/L858R double mutant using poly (Glu,Tyr) 4:1 as substrate after 1 hr by ELISAMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 77nMAssay Description:Inhibition of wild-type EGFR (unknown origin) using Poly(Glu,Tyr) 4:1 as substrate after 60 mins by ELISAMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 3nMAssay Description:Inhibition of human C-terminal His-tagged and N-terminal GST-tagged EGFR L858R/T790M/C797S triple mutant ( 668 to 1210 amino acids) expressed in bacu...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 1nMAssay Description:Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR L858R/T790M double mutant (668 to 1210 residues) expressed in a Bac...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 1nMAssay Description:Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR L858R/T790M double mutant (668 to 1210 residues) expressed in a Bac...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 130nMAssay Description:Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR (668 to 1210 residues) expressed in a Baculovirus infected Sf9 cell...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 130nMAssay Description:Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR (668 to 1210 residues) expressed in a Baculovirus infected Sf9 cell...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 1nMAssay Description:Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR L858R/T790M/C797S mutant (668 to 1210 residues) expressed in a Bacu...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 1nMAssay Description:Inhibition of C-terminal His-tagged/ N-terminal GST-tagged recombinant human EGFR L858R/T790M/C797S mutant (668 to 1210 residues) expressed in a Bacu...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 48nMAssay Description:Inhibition of wild type EGFR (unknown origin) by ELISAMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 1.5nMAssay Description:Inhibition of EGFR L858R/T790M mutant (unknown origin) by ELISAMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 2.5nMAssay Description:Inhibition of EGFR L858R/T790M/C797S mutant (unknown origin) by ELISAMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 1.5nMAssay Description:Inhibition of EGFR 19D/T790M/C797S mutant (unknown origin) by ELISAMore data for this Ligand-Target Pair
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 41nMAssay Description:Inhibition of EML4/ALK L1196M mutant (unknown origin) expressed in mouse Ba/F3 cells assessed as antiproliferative activity after 72 hrs by CellTiter...More data for this Ligand-Target Pair
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 184nMAssay Description:Inhibition of EML4/ALK G1202R mutant (unknown origin) expressed in mouse Ba/F3 cells assessed as antiproliferative activity after 72 hrs by CellTiter...More data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 4.90nMAssay Description:Inhibition of human ALK G1202R mutant using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]-ATP assay by radiometric HotSpot assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 1.70nMAssay Description:Inhibition of human ALK L1196M mutant using poly[Glu:Tyr] (4:1) as substrate in presence of [gamma-33P]-ATP assay by radiometric HotSpot assayMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 19nMAssay Description:Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate incubated for 1 hr by TR...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 13nMAssay Description:Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) using fluoresceine-labelled poly-GT peptide as substrate preincubated with enzyme...More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 261nMAssay Description:Inhibition of wild type EGFR (unknown origin) measured by ELISAMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 38nMAssay Description:Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) measured by ELISAMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 1.20nMAssay Description:Binding affinity to ALK (unknown origin)More data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
ARIAD Pharmaceuticals, Inc.

Curated by ChEMBL
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 4.10nMAssay Description:Binding affinity to ALK G1202R mutant (unknown origin)More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 21nMAssay Description:Inhibition of Wild type EGFR (unknown origin)More data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 203nMAssay Description:Inhibition of EGFR L858R/T790M mutant (unknown origin) expressed in human NCI-H1975 cells assessed as protein phosphorylation measured after 2 hrs by...More data for this Ligand-Target Pair
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 2nMAssay Description:The inhibitory activity on a C797S-containing epidermal growth factor receptor (EGFR) kinase and an MET kinase was measured for compound 1 obtained i...More data for this Ligand-Target Pair
TargetHepatocyte growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 70nMAssay Description:The inhibitory activity on a C797S-containing epidermal growth factor receptor (EGFR) kinase and an MET kinase was measured for compound 1 obtained i...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q28G8PWWUS Patent
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 0.820nMMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 3.40nMMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 53nMMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 75nMMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 28nMMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 11nMMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 0.700nMMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 4.90nMMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 3.90nMMore data for this Ligand-Target Pair
TargetNUAK family SNF1-like kinase 1(Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 47nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23X8BM3PubMed
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 164nMMore data for this Ligand-Target Pair
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 178nMMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [T790M,L858R](Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 148nMMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor [L858R,C797S](Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 548nMMore data for this Ligand-Target Pair
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 752nMMore data for this Ligand-Target Pair
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 194nMMore data for this Ligand-Target Pair
TargetEpidermal growth factor receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50185140(AP-26113 | Brigatinib | US11248003, Example Brigat...)copy SMILEScopy InChI
Affinity DataIC50: 1.70E+3nMMore data for this Ligand-Target Pair
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