BDBM12255 AZD0530::CHEMBL217092::Compound 33::N-(5-chloro-2H-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine::Saracatinib::med.21724, Compound 189

SMILES CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1

InChI Key InChIKey=OUKYUETWWIPKQR-UHFFFAOYSA-N

Data  2 KI  28 IC50  2 Kd  1 EC50

PDB links: 5 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 12255   

TargetTyrosine-protein kinase Yes(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM12255(CHEMBL217092 | N-(5-chloro-2H-1,3-benzodioxol-4-yl...)
Affinity DataIC50: 4nMAssay Description:Inhibition of c-YesMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Complutense University of Madrid

Curated by ChEMBL
LigandPNGBDBM12255(CHEMBL217092 | N-(5-chloro-2H-1,3-benzodioxol-4-yl...)
Affinity DataIC50: 2.70nMAssay Description:Inhibition of SRC (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Complutense University of Madrid

Curated by ChEMBL
LigandPNGBDBM12255(CHEMBL217092 | N-(5-chloro-2H-1,3-benzodioxol-4-yl...)
Affinity DataIC50: 2.70nMAssay Description:Inhibition of SRC (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Complutense University of Madrid

Curated by ChEMBL
LigandPNGBDBM12255(CHEMBL217092 | N-(5-chloro-2H-1,3-benzodioxol-4-yl...)
Affinity DataIC50: 2.70nMAssay Description:Inhibition of SRC (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
University of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM12255(CHEMBL217092 | N-(5-chloro-2H-1,3-benzodioxol-4-yl...)
Affinity DataIC50: 66nMAssay Description:Inhibition of EGFR in human A431 cells assessed as reduction in EGF-stimulated EGFR autophosphorylation preincuabted for 90 mins followed by EGF-stim...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTyrosine-protein kinase Yes(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM12255(CHEMBL217092 | N-(5-chloro-2H-1,3-benzodioxol-4-yl...)
Affinity DataIC50: 6.20nMAssay Description:Inhibition of Yes1 (unknown origin) assessed as kinase-dependent enzymatic production of ADP from ATP using coupled luminescence-based reaction by AD...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTyrosine-protein kinase Yes(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM12255(CHEMBL217092 | N-(5-chloro-2H-1,3-benzodioxol-4-yl...)
Affinity DataIC50: 0.700nMAssay Description:Inhibition of Yes1 (unknown origin) by [gamma-33P]-ATP radiolabeled enzyme activity assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetOrf1a protein(MERS-CoV)
University of Bonn

LigandPNGBDBM12255(CHEMBL217092 | N-(5-chloro-2H-1,3-benzodioxol-4-yl...)
Affinity DataEC50:  2.90E+3nMAssay Description:This is a review article.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMembrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase(Human)
Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM12255(CHEMBL217092 | N-(5-chloro-2H-1,3-benzodioxol-4-yl...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetMembrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase(Human)
Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM12255(CHEMBL217092 | N-(5-chloro-2H-1,3-benzodioxol-4-yl...)
Affinity DataIC50: 418nMAssay Description:Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetMembrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase(Human)
Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM12255(CHEMBL217092 | N-(5-chloro-2H-1,3-benzodioxol-4-yl...)
Affinity DataKd:  2.82E+3nMAssay Description:Binding affinity to recombinant human N-terminal His6-tagged Myt1 kinase domain (75 to 361 residues) by isothermal titration calorimetryMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
University of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM12255(CHEMBL217092 | N-(5-chloro-2H-1,3-benzodioxol-4-yl...)
Affinity DataIC50: 2.59E+3nMAssay Description:Inhibition of EGFR by cellular assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetMast/stem cell growth factor receptor Kit(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM12255(CHEMBL217092 | N-(5-chloro-2H-1,3-benzodioxol-4-yl...)
Affinity DataIC50: 200nMAssay Description:Inhibition of c-Kit by cellular assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTyrosine-protein kinase ABL1(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM12255(CHEMBL217092 | N-(5-chloro-2H-1,3-benzodioxol-4-yl...)
Affinity DataIC50: 30nMAssay Description:Inhibition of c-AblMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTyrosine-protein kinase Lck(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM12255(CHEMBL217092 | N-(5-chloro-2H-1,3-benzodioxol-4-yl...)
Affinity DataIC50: 4nMAssay Description:Inhibition of Lck by cellular assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Complutense University of Madrid

Curated by ChEMBL
LigandPNGBDBM12255(CHEMBL217092 | N-(5-chloro-2H-1,3-benzodioxol-4-yl...)
Affinity DataIC50: 2.70nMAssay Description:This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immob...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetMast/stem cell growth factor receptor Kit(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM12255(CHEMBL217092 | N-(5-chloro-2H-1,3-benzodioxol-4-yl...)
Affinity DataIC50: 200nMAssay Description:Inhibition of KITMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM12255(CHEMBL217092 | N-(5-chloro-2H-1,3-benzodioxol-4-yl...)
Affinity DataIC50: 2.09E+4nMAssay Description:This assay determines the ability of test compounds to inhibit Src kinase activity that catalyzes the transfer of the terminal phosphate to the immob...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetEphrin type-A receptor 2 [596-900](Human)
Technical University of Munich

LigandPNGBDBM12255(CHEMBL217092 | N-(5-chloro-2H-1,3-benzodioxol-4-yl...)
Affinity DataKd:  338nMAssay Description:Kinobeads competition assays were performed in 96-well format as previously described using mixed protein lysates of four cancer cell lines (K-562, M...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Complutense University of Madrid

Curated by ChEMBL
LigandPNGBDBM12255(CHEMBL217092 | N-(5-chloro-2H-1,3-benzodioxol-4-yl...)
Affinity DataIC50: 1nMAssay Description:Inhibition of Src kinaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Complutense University of Madrid

Curated by ChEMBL
LigandPNGBDBM12255(CHEMBL217092 | N-(5-chloro-2H-1,3-benzodioxol-4-yl...)
Affinity DataIC50: 3nMAssay Description:Inhibition of Src kinaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Complutense University of Madrid

Curated by ChEMBL
LigandPNGBDBM12255(CHEMBL217092 | N-(5-chloro-2H-1,3-benzodioxol-4-yl...)
Affinity DataIC50: 3nMAssay Description:Inhibition of Src kinaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetEpidermal growth factor receptor(Human)
University of North Carolina At Chapel Hill

Curated by ChEMBL
LigandPNGBDBM12255(CHEMBL217092 | N-(5-chloro-2H-1,3-benzodioxol-4-yl...)
Affinity DataIC50: 2.60E+3nMAssay Description:Inhibition of EGFRMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM12255(CHEMBL217092 | N-(5-chloro-2H-1,3-benzodioxol-4-yl...)
Affinity DataIC50: 2.10E+4nMAssay Description:Inhibition of VEGFR2More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTyrosine-protein kinase CSK(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM12255(CHEMBL217092 | N-(5-chloro-2H-1,3-benzodioxol-4-yl...)
Affinity DataIC50: 840nMAssay Description:Inhibition of CSKMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTyrosine-protein kinase CSK(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM12255(CHEMBL217092 | N-(5-chloro-2H-1,3-benzodioxol-4-yl...)
Affinity DataIC50: 840nMAssay Description:Inhibition of CskMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTyrosine-protein kinase ABL1(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM12255(CHEMBL217092 | N-(5-chloro-2H-1,3-benzodioxol-4-yl...)
Affinity DataIC50: 30nMAssay Description:Inhibition of ABL1More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTyrosine-protein kinase Yes(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM12255(CHEMBL217092 | N-(5-chloro-2H-1,3-benzodioxol-4-yl...)
Affinity DataIC50: 4nMAssay Description:Inhibition of YESMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Complutense University of Madrid

Curated by ChEMBL
LigandPNGBDBM12255(CHEMBL217092 | N-(5-chloro-2H-1,3-benzodioxol-4-yl...)
Affinity DataIC50: 2.70nMAssay Description:Inhibition of SRCMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Complutense University of Madrid

Curated by ChEMBL
LigandPNGBDBM12255(CHEMBL217092 | N-(5-chloro-2H-1,3-benzodioxol-4-yl...)
Affinity DataIC50: 2.70nMAssay Description:Inhibition of c-SRCMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Complutense University of Madrid

Curated by ChEMBL
LigandPNGBDBM12255(CHEMBL217092 | N-(5-chloro-2H-1,3-benzodioxol-4-yl...)
Affinity DataIC50: 3nMAssay Description:Inhibition of SrcMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetMembrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase(Human)
Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM12255(CHEMBL217092 | N-(5-chloro-2H-1,3-benzodioxol-4-yl...)
Affinity DataKi:  40nMAssay Description:Inhibition of human full length PKMYT1 expressed in HEK293 cells using EFS (247 to 259 residues) as substrate after 1 hr by fluorescence polarization...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetMembrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase(Human)
Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL
LigandPNGBDBM12255(CHEMBL217092 | N-(5-chloro-2H-1,3-benzodioxol-4-yl...)
Affinity DataKi:  5.20E+3nMAssay Description:Inhibition of N-[3',6'-dihydroxy-3-oxo-3H-spiro(2-benzofuran-1,9'-xanthen)-5-yl]-N'-[2-(4-{4-[N-(2-chloro-6-methylphenyl)-5-carboxamido]-thiazol-2-yl...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)