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40 similar compounds to monomer 50345732

Compile data set for download or QSAR
Wt: 281.3
BDBM25116
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Wt: 325.3
BDBM36408
Wt: 285.3
BDBM65988
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Wt: 267.3
BDBM123747
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Wt: 301.7
BDBM50142887
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Wt: 317.3
BDBM50229961
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Wt: 295.3
BDBM50345726
Wt: 295.3
BDBM50345727
Wt: 281.3
BDBM50345730
Wt: 313.3
BDBM50345733
Wt: 343.3
BDBM50345734
Wt: 297.3
BDBM50345735
Wt: 303.3
BDBM50345737
Wt: 303.3
BDBM50345738
Wt: 333.3
BDBM50345739
Displayed 1 to 15 (of 40 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 162 hits for monomerid = 25116,36408,65988,123747,50142887,50229961,50345726,50345727,50345730,50345733,50345734,50345735,50345737,50345738,50345739   
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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50142887
PNG
(1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[...)
Show SMILES CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
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0.794n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of LCK


ACS Med Chem Lett 3: 383-386 (2012)


Article DOI: 10.1021/ml300012r
BindingDB Entry DOI: 10.7270/Q2B56KTH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM25116
PNG
(1-tert-butyl-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
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50n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50142887
PNG
(1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[...)
Show SMILES CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
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60n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM25116
PNG
(1-tert-butyl-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
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63n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of LCK


ACS Med Chem Lett 3: 383-386 (2012)


Article DOI: 10.1021/ml300012r
BindingDB Entry DOI: 10.7270/Q2B56KTH
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50345738
PNG
(1-isopropyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]...)
Show SMILES CC(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C18H17N5/c1-11(2)23-18-15(17(19)20-10-21-18)16(22-23)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H2,19,20,21)
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65n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50345738
PNG
(1-isopropyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]...)
Show SMILES CC(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C18H17N5/c1-11(2)23-18-15(17(19)20-10-21-18)16(22-23)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H2,19,20,21)
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69n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ABL by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM25116
PNG
(1-tert-butyl-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
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200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR


ACS Med Chem Lett 3: 383-386 (2012)


Article DOI: 10.1021/ml300012r
BindingDB Entry DOI: 10.7270/Q2B56KTH
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50142887
PNG
(1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[...)
Show SMILES CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
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500n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Src


J Med Chem 50: 5579-88 (2007)


Article DOI: 10.1021/jm061449r
BindingDB Entry DOI: 10.7270/Q2HX1CDW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50142887
PNG
(1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[...)
Show SMILES CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
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500n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant Abl by cell free assay


J Med Chem 51: 1252-9 (2008)


Article DOI: 10.1021/jm701240c
BindingDB Entry DOI: 10.7270/Q2MW2J10
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50142887
PNG
(1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[...)
Show SMILES CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
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500n/an/an/an/an/an/an/an/a



Università degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibitory activity against Src in cell free assay


J Med Chem 49: 1549-61 (2006)


Article DOI: 10.1021/jm050603r
BindingDB Entry DOI: 10.7270/Q27H1J6N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50345735
PNG
(1-isopropyl-3-(4-methoxy-3-methylphenyl)-1H-pyrazo...)
Show SMILES COc1ccc(cc1C)-c1nn(C(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C16H19N5O/c1-9(2)21-16-13(15(17)18-8-19-16)14(20-21)11-5-6-12(22-4)10(3)7-11/h5-9H,1-4H3,(H2,17,18,19)
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650n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM50142887
PNG
(1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[...)
Show SMILES CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
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730n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50345739
PNG
(1-isopropyl-3-(6-methoxynaphthalen-2-yl)-1H-pyrazo...)
Show SMILES COc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C19H19N5O/c1-11(2)24-19-16(18(20)21-10-22-19)17(23-24)14-5-4-13-9-15(25-3)7-6-12(13)8-14/h4-11H,1-3H3,(H2,20,21,22)
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750n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ABL by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50345739
PNG
(1-isopropyl-3-(6-methoxynaphthalen-2-yl)-1H-pyrazo...)
Show SMILES COc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C19H19N5O/c1-11(2)24-19-16(18(20)21-10-22-19)17(23-24)14-5-4-13-9-15(25-3)7-6-12(13)8-14/h4-11H,1-3H3,(H2,20,21,22)
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770n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Polo-Like Kinase 4


(Homo sapiens (Human))
BDBM25116
PNG
(1-tert-butyl-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
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790n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Kinase was assayed in 384-well polypropylene plate format. The compound was mixed with kinase and biotinylated peptide substrate and incubated. After...


Biochemistry 46: 9551-63 (2007)


Article DOI: 10.1021/bi7008745
BindingDB Entry DOI: 10.7270/Q28G8J11
More data for this
Ligand-Target Pair
Casein kinase I delta


(Rattus norvegicus (rat))
BDBM25116
PNG
(1-tert-butyl-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
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1.06E+3n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Casein kinase I delta


(Rattus norvegicus (rat))
BDBM50142887
PNG
(1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[...)
Show SMILES CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
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1.29E+3n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50142887
PNG
(1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[...)
Show SMILES CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
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<1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR


ACS Med Chem Lett 3: 383-386 (2012)


Article DOI: 10.1021/ml300012r
BindingDB Entry DOI: 10.7270/Q2B56KTH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM25116
PNG
(1-tert-butyl-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
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>2.00E+4>-6.34n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
Kinase was assayed in 384-well polypropylene plate format. The compound was mixed with kinase and biotinylated peptide substrate and incubated. After...


Biochemistry 46: 9551-63 (2007)


Article DOI: 10.1021/bi7008745
BindingDB Entry DOI: 10.7270/Q28G8J11
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM25116
PNG
(1-tert-butyl-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
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>2.00E+4>-6.34n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
Kinase was assayed in 384-well polypropylene plate format. The compound was mixed with kinase and biotinylated peptide substrate and incubated. After...


Biochemistry 46: 9551-63 (2007)


Article DOI: 10.1021/bi7008745
BindingDB Entry DOI: 10.7270/Q28G8J11
More data for this
Ligand-Target Pair
Polo-Like Kinase 3


(Homo sapiens (Human))
BDBM25116
PNG
(1-tert-butyl-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
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>2.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Kinase was assayed in 384-well polypropylene plate format. The compound was mixed with kinase and biotinylated peptide substrate and incubated. After...


Biochemistry 46: 9551-63 (2007)


Article DOI: 10.1021/bi7008745
BindingDB Entry DOI: 10.7270/Q28G8J11
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM36408
PNG
(1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...)
Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12
Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)
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n/an/a 17n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
PI3K-alpha/ p110-beta


(Homo sapiens (Human))
BDBM36408
PNG
(1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...)
Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12
Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)
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n/an/a 130n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
PI3K-alpha/ p110-delta


(Homo sapiens (Human))
BDBM36408
PNG
(1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...)
Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12
Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)
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n/an/a 4n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
PI3K-alpha/ p110-beta


(Homo sapiens (Human))
BDBM36408
PNG
(1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...)
Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12
Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)
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n/an/a 72n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
PI3K-alpha/ DNA-PK


(Homo sapiens (Human))
BDBM36408
PNG
(1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...)
Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12
Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)
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n/an/a 47n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
PI3K-alpha/ mTOR


(Homo sapiens (Human))
BDBM36408
PNG
(1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...)
Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12
Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
PI3K-alpha/ Abl


(Homo sapiens (Human))
BDBM36408
PNG
(1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...)
Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12
Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)
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n/an/a 340n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
PI3K-alpha/ Hck


(Homo sapiens (Human))
BDBM36408
PNG
(1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...)
Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12
Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)
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n/an/a 130n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
PI3K-alpha/ Src


(Homo sapiens (Human))
BDBM36408
PNG
(1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...)
Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12
Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)
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n/an/a 170n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PI3K-alpha/ Src Mutant (T338I)


(Homo sapiens (Human)-Gallus gallus (Chicken))
BDBM36408
PNG
(1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...)
Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12
Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
PI3K-alpha/ VEGFR2


(Homo sapiens (Human))
BDBM36408
PNG
(1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...)
Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12
Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)
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n/an/a 7.00E+3n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
PI3K-alpha/ EGFR


(Homo sapiens (Human))
BDBM36408
PNG
(1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...)
Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12
Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
PI3K-alpha/ EphB4


(Homo sapiens (Human))
BDBM36408
PNG
(1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...)
Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12
Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
PI3K-alpha/ PDGFR


(Homo sapiens (Human))
BDBM36408
PNG
(1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3...)
Show SMILES COc1ccc(cc1OC)-c1nn(C2CCC2)c2ncnc(N)c12
Show InChI InChI=1S/C17H19N5O2/c1-23-12-7-6-10(8-13(12)24-2)15-14-16(18)19-9-20-17(14)22(21-15)11-4-3-5-11/h6-9,11H,3-5H2,1-2H3,(H2,18,19,20)
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n/an/a 170n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
The assays were performed in 96-well microtiter plates that had been coated with a polyGluTyr peptide. Negative control wells received buffer alone w...


Nat Chem Biol 4: 691-9 (2008)


Article DOI: 10.1038/nchembio.117
BindingDB Entry DOI: 10.7270/Q2NP22S9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM25116
PNG
(1-tert-butyl-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
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n/an/a 5n/an/an/an/an/an/a



Princeton University



Assay Description
Inhibition of protein tyrosine kinases


Chem Biol 6: 671-8 (1999)


Article DOI: 10.1124/jpet.104.077321
BindingDB Entry DOI: 10.7270/Q2833QCW
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM25116
PNG
(1-tert-butyl-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
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n/an/a 6n/an/an/an/an/an/a



Princeton University



Assay Description
Inhibition of protein tyrosine kinases


Chem Biol 6: 671-8 (1999)


Article DOI: 10.1124/jpet.104.077321
BindingDB Entry DOI: 10.7270/Q2833QCW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))
BDBM25116
PNG
(1-tert-butyl-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Princeton University



Assay Description
Inhibition of protein tyrosine kinases


Chem Biol 6: 671-8 (1999)


Article DOI: 10.1124/jpet.104.077321
BindingDB Entry DOI: 10.7270/Q2833QCW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM25116
PNG
(1-tert-butyl-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Princeton University



Assay Description
Inhibition of protein tyrosine kinases


Chem Biol 6: 671-8 (1999)


Article DOI: 10.1124/jpet.104.077321
BindingDB Entry DOI: 10.7270/Q2833QCW
More data for this
Ligand-Target Pair
RPL19A


(Saccharomyces cerevisiae)
BDBM25116
PNG
(1-tert-butyl-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
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n/an/an/an/a 825n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2JQ0ZGP
More data for this
Ligand-Target Pair
RPL19A


(Saccharomyces cerevisiae)
BDBM50142887
PNG
(1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[...)
Show SMILES CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
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n/an/an/an/a 1.29E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2JQ0ZGP
More data for this
Ligand-Target Pair
RPL19A


(Saccharomyces cerevisiae)
BDBM65988
PNG
(1-(tert-butyl)-3-(4-fluorophenyl)-1H-pyrazolo[3,4-...)
Show SMILES CC(C)(C)n1nc(-c2ccc(F)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C15H16FN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
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n/an/an/an/a 980n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2JQ0ZGP
More data for this
Ligand-Target Pair
LAP4


(Saccharomyces cerevisiae)
BDBM50142887
PNG
(1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[...)
Show SMILES CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
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n/an/an/an/a 4.82E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
LAP4


(Saccharomyces cerevisiae)
BDBM65988
PNG
(1-(tert-butyl)-3-(4-fluorophenyl)-1H-pyrazolo[3,4-...)
Show SMILES CC(C)(C)n1nc(-c2ccc(F)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C15H16FN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
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n/an/an/an/a 3.51E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens (Human))
BDBM65988
PNG
(1-(tert-butyl)-3-(4-fluorophenyl)-1H-pyrazolo[3,4-...)
Show SMILES CC(C)(C)n1nc(-c2ccc(F)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C15H16FN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
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n/an/a>9.50E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM50142887
PNG
(1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[...)
Show SMILES CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
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Article
PubMed
n/an/a 500n/an/an/an/a7.525



University of Delhi, Delhi 110007, India



Assay Description
The kinase reaction was initiated with the incubation of the 2.5 µL of the reaction cocktail (0.7 nM of His6-Src kinase domain in kinase buffer)...


Bioorg Chem 53: 75-82 (2014)


Article DOI: 10.1016/j.bioorg.2014.02.001
BindingDB Entry DOI: 10.7270/Q2HX1BBK
More data for this
Ligand-Target Pair
Phospholipase D (PLD)


(Homo sapiens (Human))
BDBM50229961
PNG
(1-(1,1-dimethylethyl)-3-(1-naphthalenyl)-1H-pyrazo...)
Show SMILES CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc12
Show InChI InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,20,21,22)
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n/an/a 426n/an/an/an/an/a37



University of Massachusetts Boston



Assay Description
PLD enzymes (50 nM) were reconstituted with phospholipid vesicle substrates. All assays were performed at 37 C with agitation for 30 min. Reactions...


Chem Biol Drug Des 84: 270-81 (2014)


Article DOI: 10.1111/cbdd.12319
BindingDB Entry DOI: 10.7270/Q2HT2N05
More data for this
Ligand-Target Pair
Phospholipase D (PLD)


(Homo sapiens (Human))
BDBM123747
PNG
(1-(tert-butyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidi...)
Show SMILES CC(C)(C)n1nc(-c2ccccc2)c2c(N)ncnc12
Show InChI InChI=1S/C15H17N5/c1-15(2,3)20-14-11(13(16)17-9-18-14)12(19-20)10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,16,17,18)
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n/an/a 550n/an/an/an/an/a37



University of Massachusetts Boston



Assay Description
PLD enzymes (50 nM) were reconstituted with phospholipid vesicle substrates. All assays were performed at 37 C with agitation for 30 min. Reactions...


Chem Biol Drug Des 84: 270-81 (2014)


Article DOI: 10.1111/cbdd.12319
BindingDB Entry DOI: 10.7270/Q2HT2N05
More data for this
Ligand-Target Pair
Phospholipase D2 (PLD2)


(Homo sapiens (Human))
BDBM50229961
PNG
(1-(1,1-dimethylethyl)-3-(1-naphthalenyl)-1H-pyrazo...)
Show SMILES CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc12
Show InChI InChI=1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,20,21,22)
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PubMed
n/an/a 350n/an/an/an/an/a37



University of Massachusetts Boston



Assay Description
PLD enzymes (50 nM) were reconstituted with phospholipid vesicle substrates. All assays were performed at 37 C with agitation for 30 min. Reactions...


Chem Biol Drug Des 84: 270-81 (2014)


Article DOI: 10.1111/cbdd.12319
BindingDB Entry DOI: 10.7270/Q2HT2N05
More data for this
Ligand-Target Pair
Phospholipase D2 (PLD2)


(Homo sapiens (Human))
BDBM123747
PNG
(1-(tert-butyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimidi...)
Show SMILES CC(C)(C)n1nc(-c2ccccc2)c2c(N)ncnc12
Show InChI InChI=1S/C15H17N5/c1-15(2,3)20-14-11(13(16)17-9-18-14)12(19-20)10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,16,17,18)
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PubMed
n/an/a 290n/an/an/an/an/a37



University of Massachusetts Boston



Assay Description
PLD enzymes (50 nM) were reconstituted with phospholipid vesicle substrates. All assays were performed at 37 C with agitation for 30 min. Reactions...


Chem Biol Drug Des 84: 270-81 (2014)


Article DOI: 10.1111/cbdd.12319
BindingDB Entry DOI: 10.7270/Q2HT2N05
More data for this
Ligand-Target Pair
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