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11 similar compounds to monomer 3258

Compile data set for download or QSAR
Wt: 281.3
BDBM3343
Wt: 265.3
BDBM3283
Purchase
Wt: 265.3
BDBM3286
Wt: 281.3
BDBM3287
Wt: 281.3
BDBM3288
Wt: 295.3
BDBM3289
Purchase
Wt: 235.2
BDBM3256
Purchase
Wt: 265.3
BDBM3277
Wt: 265.3
BDBM3280
Wt: 329.7
BDBM43537
Purchase
Wt: 279.2
BDBM50038983
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 3343,3283,3286,3287,3288,3289,3256,3277,3280,43537,50038983   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3256
PNG
(4-(Benzylamino)quinazoline deriv. 7 | N-benzylquin...)
Show SMILES C(Nc1ncnc2ccccc12)c1ccccc1
Show InChI InChI=1S/C15H13N3/c1-2-6-12(7-3-1)10-16-15-13-8-4-5-9-14(13)17-11-18-15/h1-9,11H,10H2,(H,16,17,18)
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PubMed
n/an/a 320n/an/an/an/a7.422



University of Auckland



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 38: 3482-7 (1995)


Article DOI: 10.1021/jm00018a008
BindingDB Entry DOI: 10.7270/Q2319T3K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3289
PNG
(4-(Benzylamino)quinazoline deriv. 40 | CHEMBL54554...)
Show SMILES COc1cc2ncnc(NCc3ccccc3)c2cc1OC
Show InChI InChI=1S/C17H17N3O2/c1-21-15-8-13-14(9-16(15)22-2)19-11-20-17(13)18-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,18,19,20)
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor autophosphorylation.


Bioorg Med Chem Lett 7: 417-420 (1997)


Article DOI: 10.1016/S0960-894X(97)00034-6
BindingDB Entry DOI: 10.7270/Q2J966VN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3280
PNG
(4-(Benzylamino)quinazoline deriv. 31 | N-benzyl-6-...)
Show SMILES COc1ccc2ncnc(NCc3ccccc3)c2c1
Show InChI InChI=1S/C16H15N3O/c1-20-13-7-8-15-14(9-13)16(19-11-18-15)17-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,17,18,19)
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n/an/a 200n/an/an/an/an/an/a



University of Auckland



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 38: 3482-7 (1995)


Article DOI: 10.1021/jm00018a008
BindingDB Entry DOI: 10.7270/Q2319T3K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3283
PNG
(4-(Benzylamino)quinazoline deriv. 34 | N-benzyl-7-...)
Show SMILES COc1ccc2c(NCc3ccccc3)ncnc2c1
Show InChI InChI=1S/C16H15N3O/c1-20-13-7-8-14-15(9-13)18-11-19-16(14)17-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,17,18,19)
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n/an/a 58n/an/an/an/an/an/a



University of Auckland



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 38: 3482-7 (1995)


Article DOI: 10.1021/jm00018a008
BindingDB Entry DOI: 10.7270/Q2319T3K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3286
PNG
(4-(Benzylamino)quinazoline deriv. 37 | N-benzyl-8-...)
Show SMILES COc1cccc2c(NCc3ccccc3)ncnc12
Show InChI InChI=1S/C16H15N3O/c1-20-14-9-5-8-13-15(14)18-11-19-16(13)17-10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,17,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Auckland



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 38: 3482-7 (1995)


Article DOI: 10.1021/jm00018a008
BindingDB Entry DOI: 10.7270/Q2319T3K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3287
PNG
(4-(Benzylamino)quinazoline deriv. 38 | 4-(benzylam...)
Show SMILES COc1cc2c(NCc3ccccc3)ncnc2cc1O
Show InChI InChI=1S/C16H15N3O2/c1-21-15-7-12-13(8-14(15)20)18-10-19-16(12)17-9-11-5-3-2-4-6-11/h2-8,10,20H,9H2,1H3,(H,17,18,19)
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n/an/a 588n/an/an/an/an/an/a



University of Auckland



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 38: 3482-7 (1995)


Article DOI: 10.1021/jm00018a008
BindingDB Entry DOI: 10.7270/Q2319T3K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3288
PNG
(4-(Benzylamino)quinazoline deriv. 39 | 4-(benzylam...)
Show SMILES COc1cc2ncnc(NCc3ccccc3)c2cc1O
Show InChI InChI=1S/C16H15N3O2/c1-21-15-8-13-12(7-14(15)20)16(19-10-18-13)17-9-11-5-3-2-4-6-11/h2-8,10,20H,9H2,1H3,(H,17,18,19)
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n/an/a 56n/an/an/an/an/an/a



University of Auckland



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 38: 3482-7 (1995)


Article DOI: 10.1021/jm00018a008
BindingDB Entry DOI: 10.7270/Q2319T3K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3289
PNG
(4-(Benzylamino)quinazoline deriv. 40 | CHEMBL54554...)
Show SMILES COc1cc2ncnc(NCc3ccccc3)c2cc1OC
Show InChI InChI=1S/C17H17N3O2/c1-21-15-8-13-14(9-16(15)22-2)19-11-20-17(13)18-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,18,19,20)
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n/an/a 10n/an/an/an/an/an/a



University of Auckland



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 38: 3482-7 (1995)


Article DOI: 10.1021/jm00018a008
BindingDB Entry DOI: 10.7270/Q2319T3K
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3343
PNG
(4-N-[(4-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidi...)
Show SMILES COc1ccc(CNc2ncnc3cc(N)ncc23)cc1
Show InChI InChI=1S/C15H15N5O/c1-21-11-4-2-10(3-5-11)7-18-15-12-8-17-14(16)6-13(12)19-9-20-15/h2-6,8-9H,7H2,1H3,(H2,16,17)(H,18,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Auckland



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 38: 3780-8 (1995)


Article DOI: 10.1021/jm00019a007
BindingDB Entry DOI: 10.7270/Q2Z899M8
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM3256
PNG
(4-(Benzylamino)quinazoline deriv. 7 | N-benzylquin...)
Show SMILES C(Nc1ncnc2ccccc12)c1ccccc1
Show InChI InChI=1S/C15H13N3/c1-2-6-12(7-3-1)10-16-15-13-8-4-5-9-14(13)17-11-18-15/h1-9,11H,10H2,(H,16,17,18)
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n/an/an/an/a 3.01E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM3256
PNG
(4-(Benzylamino)quinazoline deriv. 7 | N-benzylquin...)
Show SMILES C(Nc1ncnc2ccccc12)c1ccccc1
Show InChI InChI=1S/C15H13N3/c1-2-6-12(7-3-1)10-16-15-13-8-4-5-9-14(13)17-11-18-15/h1-9,11H,10H2,(H,16,17,18)
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n/an/an/an/a 4.81E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM3256
PNG
(4-(Benzylamino)quinazoline deriv. 7 | N-benzylquin...)
Show SMILES C(Nc1ncnc2ccccc12)c1ccccc1
Show InChI InChI=1S/C15H13N3/c1-2-6-12(7-3-1)10-16-15-13-8-4-5-9-14(13)17-11-18-15/h1-9,11H,10H2,(H,16,17,18)
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n/an/an/an/a 4.27E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM3256
PNG
(4-(Benzylamino)quinazoline deriv. 7 | N-benzylquin...)
Show SMILES C(Nc1ncnc2ccccc12)c1ccccc1
Show InChI InChI=1S/C15H13N3/c1-2-6-12(7-3-1)10-16-15-13-8-4-5-9-14(13)17-11-18-15/h1-9,11H,10H2,(H,16,17,18)
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n/an/a 1.39E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2TH8K3N
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (Human))
BDBM3256
PNG
(4-(Benzylamino)quinazoline deriv. 7 | N-benzylquin...)
Show SMILES C(Nc1ncnc2ccccc12)c1ccccc1
Show InChI InChI=1S/C15H13N3/c1-2-6-12(7-3-1)10-16-15-13-8-4-5-9-14(13)17-11-18-15/h1-9,11H,10H2,(H,16,17,18)
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n/an/a 2.19E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2PR7TCX
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens (Human))
BDBM43537
PNG
((7-chloroquinazolin-4-yl)-veratryl-amine | 7-chlor...)
Show SMILES COc1ccc(CNc2ncnc3cc(Cl)ccc23)cc1OC
Show InChI InChI=1S/C17H16ClN3O2/c1-22-15-6-3-11(7-16(15)23-2)9-19-17-13-5-4-12(18)8-14(13)20-10-21-17/h3-8,10H,9H2,1-2H3,(H,19,20,21)
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n/an/a>1.86E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM43537
PNG
((7-chloroquinazolin-4-yl)-veratryl-amine | 7-chlor...)
Show SMILES COc1ccc(CNc2ncnc3cc(Cl)ccc23)cc1OC
Show InChI InChI=1S/C17H16ClN3O2/c1-22-15-6-3-11(7-16(15)23-2)9-19-17-13-5-4-12(18)8-14(13)20-10-21-17/h3-8,10H,9H2,1-2H3,(H,19,20,21)
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n/an/a 4.26E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2WS8RN8
More data for this
Ligand-Target Pair
COUP transcription factor 2 isoform a


(Homo sapiens (Human))
BDBM3256
PNG
(4-(Benzylamino)quinazoline deriv. 7 | N-benzylquin...)
Show SMILES C(Nc1ncnc2ccccc12)c1ccccc1
Show InChI InChI=1S/C15H13N3/c1-2-6-12(7-3-1)10-16-15-13-8-4-5-9-14(13)17-11-18-15/h1-9,11H,10H2,(H,16,17,18)
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n/an/a 9.32E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21Z431S
More data for this
Ligand-Target Pair
COUP transcription factor 2 isoform a


(Homo sapiens (Human))
BDBM3256
PNG
(4-(Benzylamino)quinazoline deriv. 7 | N-benzylquin...)
Show SMILES C(Nc1ncnc2ccccc12)c1ccccc1
Show InChI InChI=1S/C15H13N3/c1-2-6-12(7-3-1)10-16-15-13-8-4-5-9-14(13)17-11-18-15/h1-9,11H,10H2,(H,16,17,18)
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n/an/a 1.03E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21Z431S
More data for this
Ligand-Target Pair
Galanin receptor 3


(Homo sapiens (Human))
BDBM3256
PNG
(4-(Benzylamino)quinazoline deriv. 7 | N-benzylquin...)
Show SMILES C(Nc1ncnc2ccccc12)c1ccccc1
Show InChI InChI=1S/C15H13N3/c1-2-6-12(7-3-1)10-16-15-13-8-4-5-9-14(13)17-11-18-15/h1-9,11H,10H2,(H,16,17,18)
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n/an/a 1.25E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Galanin receptor 3


(Homo sapiens (Human))
BDBM3256
PNG
(4-(Benzylamino)quinazoline deriv. 7 | N-benzylquin...)
Show SMILES C(Nc1ncnc2ccccc12)c1ccccc1
Show InChI InChI=1S/C15H13N3/c1-2-6-12(7-3-1)10-16-15-13-8-4-5-9-14(13)17-11-18-15/h1-9,11H,10H2,(H,16,17,18)
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n/an/a 2.42E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q270802Q
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM3256
PNG
(4-(Benzylamino)quinazoline deriv. 7 | N-benzylquin...)
Show SMILES C(Nc1ncnc2ccccc12)c1ccccc1
Show InChI InChI=1S/C15H13N3/c1-2-6-12(7-3-1)10-16-15-13-8-4-5-9-14(13)17-11-18-15/h1-9,11H,10H2,(H,16,17,18)
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n/an/a 8.53E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM3256
PNG
(4-(Benzylamino)quinazoline deriv. 7 | N-benzylquin...)
Show SMILES C(Nc1ncnc2ccccc12)c1ccccc1
Show InChI InChI=1S/C15H13N3/c1-2-6-12(7-3-1)10-16-15-13-8-4-5-9-14(13)17-11-18-15/h1-9,11H,10H2,(H,16,17,18)
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n/an/a 8.54E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50038983
PNG
(Benzo[1,3]dioxol-5-ylmethyl-quinazolin-4-yl-amine ...)
Show SMILES C(Nc1ncnc2ccccc12)c1ccc2OCOc2c1
Show InChI InChI=1S/C16H13N3O2/c1-2-4-13-12(3-1)16(19-9-18-13)17-8-11-5-6-14-15(7-11)21-10-20-14/h1-7,9H,8,10H2,(H,17,18,19)
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Article
PubMed
n/an/a 4.20E+3n/an/an/an/an/an/a



Eisai Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against cGMP-phosphodiesterase from porcine aorta


J Med Chem 37: 2106-11 (1994)


Article DOI: 10.1021/jm00039a024
BindingDB Entry DOI: 10.7270/Q2Q52NPF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM3289
PNG
(4-(Benzylamino)quinazoline deriv. 40 | CHEMBL54554...)
Show SMILES COc1cc2ncnc(NCc3ccccc3)c2cc1OC
Show InChI InChI=1S/C17H17N3O2/c1-21-15-8-13-14(9-16(15)22-2)19-11-20-17(13)18-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,18,19,20)
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Article
n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase in Jurkat cells where p56lck autophosphorylation is inhibited.


Bioorg Med Chem Lett 7: 417-420 (1997)


Article DOI: 10.1016/S0960-894X(97)00034-6
BindingDB Entry DOI: 10.7270/Q2J966VN
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3277
PNG
(4-(Benzylamino)quinazoline deriv. 28 | N-benzyl-5-...)
Show SMILES COc1cccc2ncnc(NCc3ccccc3)c12
Show InChI InChI=1S/C16H15N3O/c1-20-14-9-5-8-13-15(14)16(19-11-18-13)17-10-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,17,18,19)
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n/an/a 4.90E+3n/an/an/an/an/an/a



University of Auckland



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 38: 3482-7 (1995)


Article DOI: 10.1021/jm00018a008
BindingDB Entry DOI: 10.7270/Q2319T3K
More data for this
Ligand-Target Pair