BDBM50307768 7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyheptanamide::CHEMBL598797::CUDC-101

SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCCC(=O)NO

InChI Key InChIKey=PLIVFNIUGLLCEK-UHFFFAOYSA-N

Data  34 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 35 hits for monomerid = 50307768   

TargetLeukotriene A-4 hydrolase(Human)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human LTA4H Epoxide Hydrolase expressed in Escherichia coli BL21 (DE3) pLysS preincubated for 10 mins followed by addition ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataIC50: 3.20E+3nMAssay Description:Inhibition of RetMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetEpidermal growth factor receptor(Human)
Curis

Curated by ChEMBL
LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataIC50: 2.40nMAssay Description:Inhibition of EGFRMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataIC50: 16nMAssay Description:Inhibition of HER2More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetEpidermal growth factor receptor(Human)
Curis

Curated by ChEMBL
LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataIC50: 2.40nMAssay Description:Inhibition of EGFRMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataIC50: 16nMAssay Description:Inhibition of erbB2More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetEpidermal growth factor receptor(Human)
Curis

Curated by ChEMBL
LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataIC50: 2.40nMAssay Description:Inhibition of recombinant human amino-terminal GST-His6-fused EGFR expressed in baculovirus expression system assessed as phosphorylation using Bioti...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataIC50: 16nMAssay Description:Inhibition of recombinant human amino-terminal GST-fused HER2 (Lys676-Val1255) expressed in baculovirus expression system using Biotin-FLT3 (Tyr589) ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetLeukotriene A-4 hydrolase(Human)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human LTA4H aminopeptidase activity expressed in Escherichia coli BL21 (DE3) pLysS assessed as formation of p-NA from Ala-p...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of Flt3More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPolyamine deacetylase HDAC10(Human)
European Molecular Biology Laboratory

Curated by ChEMBL
LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataIC50: 126nMAssay Description:Inhibition of tubastatin-Alexa647-tracer binding to recombinant GST-tagged HDAC10 (unknown origin) measured after 1 hr by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPolyamine deacetylase HDAC10(Human)
European Molecular Biology Laboratory

Curated by ChEMBL
LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataIC50: 398nMAssay Description:Inhibition of dye-labeled tracer binding to HDAC10 (unknown origin) transfected in human HeLa cells measured after 2 hrs by nano-luciferase reporter ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataIC50: 16nMAssay Description:Inhibition of HER2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetEpidermal growth factor receptor(Human)
Curis

Curated by ChEMBL
LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataIC50: 2.40nMAssay Description:Inhibition of EGFR (unknown origin) by HTscan assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistone deacetylase(Human)
Qingdao University

Curated by ChEMBL
LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataIC50: 4.40nMAssay Description:Inhibition of HDAC (unknown origin) in human HeLa cell nuclear extract using Color de Lys as substrateMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistone deacetylase(Human)
Qingdao University

Curated by ChEMBL
LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataIC50: 4.40nMAssay Description:Inhibition of HDAC (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetEpidermal growth factor receptor(Human)
Curis

Curated by ChEMBL
LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataIC50: 2.40nMAssay Description:Inhibition of EGFR (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataIC50: 16nMAssay Description:Inhibition of HER2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetHistone deacetylase 9(Human)
Curis

Curated by ChEMBL
LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataIC50: 67nMAssay Description:Inhibition of human HDAC9 expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistone deacetylase 5(Human)
Curis

Curated by ChEMBL
LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataIC50: 11nMAssay Description:Inhibition of human HDAC5 expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistone deacetylase 1(Human)
Curis

Curated by ChEMBL
LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataIC50: 4.5nMAssay Description:Inhibition of human HDAC1 expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistone deacetylase 2(Human)
Curis

Curated by ChEMBL
LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataIC50: 13nMAssay Description:Inhibition of human HDAC2 expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistone deacetylase 3(Human)
Curis

Curated by ChEMBL
LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataIC50: 9.10nMAssay Description:Inhibition of human HDAC3 expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistone deacetylase 8(Human)
Curis

Curated by ChEMBL
LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataIC50: 80nMAssay Description:Inhibition of human HDAC8 expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistone deacetylase 4(Human)
Curis

Curated by ChEMBL
LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataIC50: 13nMAssay Description:Inhibition of human HDAC4 expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistone deacetylase 6(Human)
Curis

Curated by ChEMBL
LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataIC50: 5.10nMAssay Description:Inhibition of human HDAC6 expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistone deacetylase 7(Human)
Curis

Curated by ChEMBL
LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataIC50: 373nMAssay Description:Inhibition of human HDAC7 expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetFerrochelatase, mitochondrial [R115L](Human)
Technical University of Munich

LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataKd:  3.50E+3nMAssay Description:Briefly, 5 mg of a protein mixture of the four cell lines or a single cell line were incubated with compound dilution series in DMSO (3 nM, 10 nM, 30...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetPolyamine deacetylase HDAC10(Human)
European Molecular Biology Laboratory

Curated by ChEMBL
LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataIC50: 26nMAssay Description:Inhibition of human HDAC10 expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataIC50: 849nMAssay Description:Inhibition of KDRMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of SrcMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTyrosine-protein kinase Lyn(Human)
Curis

Curated by ChEMBL
LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataIC50: 840nMAssay Description:Inhibition of LynMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTyrosine-protein kinase Lck(Human)
Curis

Curated by ChEMBL
LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataIC50: 5.91E+3nMAssay Description:Inhibition of LckMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetTyrosine-protein kinase ABL1(Human)
Curis

Curated by ChEMBL
LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataIC50: 2.89E+3nMAssay Description:Inhibition of Abl1More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetFibroblast growth factor receptor 2(Human)
Curis

Curated by ChEMBL
LigandPNGBDBM50307768(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Affinity DataIC50: 3.43E+3nMAssay Description:Inhibition of FGFR2More data for this Ligand-Target Pair
In DepthDetails Article
PubMed