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Compile Data Set for Download or QSAR

Found 411 hits with Last Name = 'hiscock' and Initial = 'sd'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50546218
PNG
(CHEMBL4741490 | US11466016, Example 114)
Show SMILES [H][C@]12CC[C@]([H])([C@@H](F)[C@@H](N)C1)N2c1nc2[nH]nc(-c3ccc4ncsc4c3Cl)c2nc1CO |r|
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Oryctolagus cuniculus (Rabbit))		BDBM50420304
PNG
(CHEMBL2089065 | US8598217, 165)
Show SMILES CN(C)C1CCN(CC1)c1ccc2[nH]c(nc2n1)C(=O)c1ccc(C#N)c(c1)-c1cncc2ccccc12
Show InChI InChI=1S/C30H27N7O/c1-36(2)22-11-13-37(14-12-22)27-10-9-26-29(34-27)35-30(33-26)28(38)19-7-8-20(16-31)24(15-19)25-18-32-17-21-5-3-4-6-23(21)25/h3-10,15,17-18,22H,11-14H2,1-2H3,(H,33,34,35)
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n/an/a 3n/an/an/an/a7.5n/a



Astex Therapeutics Ltd.; Novartis AG

US Patent


Assay Description
A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...

US Patent US8598217 (2013)


BindingDB Entry DOI: 10.7270/Q2BG2MN8
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575964
PNG
((1R,2S,3S,5S)-8-[3-(5- chloro-3-methoxy- quinoxali...)
Show SMILES COc1cnc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(C)nc34)c(Cl)c2n1 |r,TLB:14:15:20.22.24:18.17|
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TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575913
PNG
(US11466016, Example 41 | exo-8-[7-(3,4- dichloro-2...)
Show SMILES Cn1nc2ccc(-c3c[nH]c4nc(cnc34)N3[C@H]4CC[C@@H]3C[C@@H](N)C4)c(Cl)c2c1Cl |r|
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n/an/a 3.60n/an/an/an/an/an/a


TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575962
PNG
((1R,2S,3S,5S)-8-[3-(3,4- Dichloro-2-methyl-2H- ind...)
Show SMILES Cc1nc2c(n[nH]c2nc1N1[C@H]2CC[C@@H]1[C@@H](F)[C@@H](N)C2)-c1ccc2nn(C)c(Cl)c2c1Cl |r,TLB:9:10:15.17.19:13.12|
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n/an/a 3.60n/an/an/an/an/an/a


TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Oryctolagus cuniculus (Rabbit))		BDBM107751
PNG
(CHEMBL2089063 | US8598217, 89)
Show SMILES CN(C)C1CCN(CC1)c1ccc2nc([nH]c2c1)C(=O)c1ccnc(c1)-c1cncc2ccccc12
Show InChI InChI=1S/C29H28N6O/c1-34(2)21-10-13-35(14-11-21)22-7-8-25-27(16-22)33-29(32-25)28(36)19-9-12-31-26(15-19)24-18-30-17-20-5-3-4-6-23(20)24/h3-9,12,15-18,21H,10-11,13-14H2,1-2H3,(H,32,33)
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n/an/a 4n/an/an/an/a7.5n/a



Astex Therapeutics Ltd.; Novartis AG

US Patent


Assay Description
A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...

US Patent US8598217 (2013)


BindingDB Entry DOI: 10.7270/Q2BG2MN8
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575966
PNG
(US11466016, Example 98 | {6-[(1R,2S,3S,5S)- 3-amin...)
Show SMILES Cc1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(CO)nc34)c(F)c2s1 |r,TLB:12:13:18.20.22:16.15|
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TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Oryctolagus cuniculus (Rabbit))		BDBM107755
PNG
(US8598217, 140)
Show SMILES CN(C)C1CCN(CC1)c1ccc2[nH]c(nc2n1)C(=O)c1ccc(C#N)c(c1)-c1cncc2[nH]ccc12
Show InChI InChI=1S/C28H26N8O/c1-35(2)19-8-11-36(12-9-19)25-6-5-23-27(33-25)34-28(32-23)26(37)17-3-4-18(14-29)21(13-17)22-15-30-16-24-20(22)7-10-31-24/h3-7,10,13,15-16,19,31H,8-9,11-12H2,1-2H3,(H,32,33,34)
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n/an/a 4n/an/an/an/a7.5n/a



Astex Therapeutics Ltd.; Novartis AG

US Patent


Assay Description
A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...

US Patent US8598217 (2013)


BindingDB Entry DOI: 10.7270/Q2BG2MN8
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575896
PNG
(US11466016, Example 24 | endo-8-[7-(3,4- dichloro-...)
Show SMILES Cn1nc2ccc(-c3c[nH]c4nc(cnc34)N3[C@H]4CC[C@@H]3C[C@H](N)C4)c(Cl)c2c1Cl |r|
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n/an/a 4.30n/an/an/an/an/an/a


TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575937
PNG
(5-{3-[endo-3-amino-8- azabicyclo[3.2.1]octan- 8-yl...)
Show SMILES N[C@@H]1C[C@@H]2CC[C@H](C1)N2c1cnc2c(c[nH]c2n1)-c1ccc2NC(=O)C(F)(F)c2c1Cl |r,TLB:9:8:7.1.2:4.5|
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n/an/a 4.40n/an/an/an/an/an/a


TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575965
PNG
(7-{6-[(1R,2S,3S,5S)- 3-amino-2-fluoro-8- azabicycl...)
Show SMILES CN(C)c1cnc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(C)nc34)c(Cl)c2n1 |r,TLB:15:16:21.23.25:19.18|
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n/an/a 4.70n/an/an/an/an/an/a


TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575995
PNG
(5-{6- [(1R,2S,3S,5S)-3- amino-2-fluoro-8- azabi...)
Show SMILES Cn1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(CO)nc34)c(Cl)c2c1C#N |r|
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Oryctolagus cuniculus (Rabbit))		BDBM107761
PNG
(US8598217, 174)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1ccc2nc[nH]c2c1
Show InChI InChI=1S/C17H22N4O3/c1-17(2,3)24-16(23)21-8-6-20(7-9-21)15(22)12-4-5-13-14(10-12)19-11-18-13/h4-5,10-11H,6-9H2,1-3H3,(H,18,19)
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n/an/a 5n/an/an/an/a7.5n/a



Astex Therapeutics Ltd.; Novartis AG

US Patent


Assay Description
A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...

US Patent US8598217 (2013)


BindingDB Entry DOI: 10.7270/Q2BG2MN8
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575988
PNG
(US11466016, Example 122 | {3- [(1R,2S,3S,5S)-3- am...)
Show SMILES Cn1nc2ccc(-c3c[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(CO)nc34)c(Cl)c2c1Cl |r,TLB:12:13:18.20.22:15.16|
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n/an/a 5.20n/an/an/an/an/an/a


TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575895
PNG
(6-{3-[endo-3- amino-8- azabicyclo[3.2.1] octan-8-y...)
Show SMILES N[C@@H]1C[C@@H]2CC[C@H](C1)N2c1cnc2c(c[nH]c2n1)-c1ccc2[nH]c(=O)sc2c1Cl |r|
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n/an/a 5.20n/an/an/an/an/an/a


TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575951
PNG
(US11466016, Example 80 | {6-[(1R,2S,3S,5S)-3- amin...)
Show SMILES Cn1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(CO)nc34)c(Cl)c2c1Cl |r,TLB:12:13:18.20.22:16.15|
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n/an/a 5.20n/an/an/an/an/an/a


TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575983
PNG
(US11466016, Example 118 | {6-[(1R,2S,3S,5S)- 3-ami...)
Show SMILES CN(C)c1cnc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(CO)nc34)c(Cl)c2n1 |r,TLB:15:16:21.23.25:19.18|
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n/an/a 5.30n/an/an/an/an/an/a


TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575915
PNG
(US11466016, Example 43 | endo-8-{7-[7- chloro-2- (...)
Show SMILES COCc1nc2ccc(-c3c[nH]c4nc(cnc34)N3[C@H]4CC[C@@H]3C[C@H](N)C4)c(Cl)c2s1 |r,TLB:14:18:24.26.23:21.20|
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n/an/a 5.80n/an/an/an/an/an/a


TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575886
PNG
(US11466016, Example 15 | endo-8-[7-(7- chloro-2- m...)
Show SMILES Cc1nc2ccc(-c3c[nH]c4nc(cnc34)N3[C@H]4CC[C@@H]3C[C@H](N)C4)c(Cl)c2s1 |r|
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n/an/a 5.90n/an/an/an/an/an/a


TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575908
PNG
(2-(5-{3-[endo- 3-amino-8- azabicyclo[3.2.1] octan-...)
Show SMILES N[C@@H]1C[C@@H]2CC[C@H](C1)N2c1cnc2c(c[nH]c2n1)-c1ccc2nn(CCO)cc2c1Cl |r,TLB:9:8:1.2.7:5.4|
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575999
PNG
(US11466016, Example 133 | {6-[endo-3-amino-8- aza...)
Show SMILES CN(C)c1cnc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5C[C@H](N)C6)c(CO)nc34)c(Cl)c2n1 |r,TLB:15:16:21.22.24:19.18|
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM576010
PNG
(US11466016, Example 143 | {6-[(1R,2S,3S,5S)- 3-am...)
Show SMILES COCc1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(CO)nc34)c(Cl)c2s1 |r,TLB:14:15:20.22.24:18.17|
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n/an/a 6.10n/an/an/an/an/an/a


TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575884
PNG
(US11466016, Example 13 | endo-8-[7-(7- chloro-1,3-...)
Show SMILES N[C@@H]1C[C@@H]2CC[C@H](C1)N2c1cnc2c(c[nH]c2n1)-c1ccc2ncsc2c1Cl |r,TLB:9:8:1.2.7:5.4|
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n/an/a 6.20n/an/an/an/an/an/a


TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575975
PNG
(US11466016, Example 108 | {6-[(1R,2S,3S,5S)- 3-ami...)
Show SMILES Cc1c(ccc2nn(C)c(Cl)c12)-c1n[nH]c2nc(N3[C@H]4CC[C@@H]3[C@@H](F)[C@@H](N)C4)c(CO)nc12 |r,TLB:17:18:23.25.27:21.20|
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n/an/a 6.60n/an/an/an/an/an/a


TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575916
PNG
((6-{3-[endo-3- amino-8- azabicyclo [3.2.1]octan- 8...)
Show SMILES N[C@@H]1C[C@@H]2CC[C@H](C1)N2c1cnc2c(c[nH]c2n1)-c1ccc2nc(CO)sc2c1Cl |r|
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n/an/a 6.80n/an/an/an/an/an/a


TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575941
PNG
(US11466016, Example 69 | endo-8-(7-{4-chloro-2- [(...)
Show SMILES Cc1noc(Cn2cc3c(Cl)c(ccc3n2)-c2c[nH]c3nc(cnc23)N2C3CC[C@H]2C[C@@H](N)C3)n1 |r,TLB:21:25:33.31.30:28.27|
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n/an/a 6.80n/an/an/an/an/an/a


TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575911
PNG
(US11466016, Example 39 | endo-8-{7-[7- chloro-2- (...)
Show SMILES N[C@H]1CC2CC[C@@H](C1)N2c1cnc2c(c[nH]c2n1)-c1ccc2nc(sc2c1Cl)C1CCOC1 |r,TLB:9:8:1.7.2:4.5|
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n/an/a 6.90n/an/an/an/an/an/a


TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575977
PNG
(US11466016, Example 110 | [6-(4-amino-4- methylpip...)
Show SMILES Cn1nc2ccc(-c3n[nH]c4nc(N5CCC(C)(N)CC5)c(CO)nc34)c(Cl)c2c1Cl
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n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575959
PNG
(US11466016, Example 88 | {6-[endo-3-amino-8- azabi...)
Show SMILES Cn1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5C[C@H](N)C6)c(CO)nc34)c(Cl)c2c1Cl |r,TLB:12:13:18.19.21:16.15|
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TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575934
PNG
(5-{3-[endo-3-amino-8- azabicyclo[3.2.1]octan- 8-yl...)
Show SMILES Cn1nc2ccc(-c3c[nH]c4nc(cnc34)N3[C@H]4CC[C@@H]3C[C@H](N)C4)c(Cl)c2c1C#N |r|
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TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575991
PNG
(6-[3,9- diazabicyclo[3.3.1] nonan-9-yl]-3-(3,4- ...)
Show SMILES Cn1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CCC[C@@H]5CNC6)c(CO)nc34)c(Cl)c2c1Cl |r,THB:12:13:19.20.21:17.15.16|
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TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575957
PNG
(US11466016, Example 86 | {6-[3,8- diazabicyclo[3.2...)
Show SMILES Cn1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5CNC6)c(CO)nc34)c(Cl)c2c1Cl |r,TLB:12:13:18.19.20:16.15|
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n/an/a 7.20n/an/an/an/an/an/a


TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575994
PNG
(US11466016, Example 128 | {6-[endo-3- amino-8- az...)
Show SMILES Cc1nc2ccc(-c3n[nH]c4nc(N5[C@@H]6CC[C@@H]5CC(N)C6)c(CO)nc34)c(Cl)c2s1 |r|
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n/an/a 7.30n/an/an/an/an/an/a


TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM576015
PNG
((1S,2S,3S,5R)-8-[3- (7-chloro-2-methyl- 1,3-benz...)
Show SMILES Cc1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(C)nc34)c(Cl)c2s1 |r,THB:12:13:18.20.22:16.15|
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n/an/a 7.40n/an/an/an/an/an/a


TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575979
PNG
(US11466016, Example 113 | {6-[endo-3-amino- 8-aza-...)
Show SMILES COc1cnc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5C[C@H](N)C6)c(CO)nc34)c(Cl)c2n1 |r,TLB:14:15:20.21.23:18.17|
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TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575955
PNG
(US11466016, Example 84 | {6-[(1R,2S,3S,5S)-3- amin...)
Show SMILES COc1cnc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(CO)nc34)c(Cl)c2n1 |r,TLB:14:15:20.22.24:18.17|
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n/an/a 7.40n/an/an/an/an/an/a


TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575956
PNG
(US11466016, Example 85 | {6-[(1S,2S,3S,5R)-3- amin...)
Show SMILES Cn1nc2ccc(-c3n[nH]c4nc(N5[C@@H]6CC[C@H]5[C@@H](F)[C@@H](N)C6)c(CO)nc34)c(Cl)c2c1Cl |r,TLB:12:13:22.20.18:15.16|
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TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575981
PNG
(US11466016, Example 116 | {6-[endo-3-amino- 3-meth...)
Show SMILES Cn1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5C[C@](C)(N)C6)c(CO)nc34)c(Cl)c2c1Cl |r|
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TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM576009
PNG
(US11466016, Example 140 | {6-[(1S,2S,3S,5R)- 3-am...)
Show SMILES Cc1nc2ccc(-c3n[nH]c4nc(N5[C@@H]6CC[C@H]5[C@@H](F)[C@@H](N)C6)c(CO)nc34)c(Cl)c2s1 |r,TLB:12:13:22.20.18:15.16|
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n/an/a 7.70n/an/an/an/an/an/a


TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575935
PNG
((1R,2S,3S,5S)-8-[7-(4- chloro-2-methyl-2H- indazol...)
Show SMILES Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(cnc12)N1[C@H]2CC[C@@H]1[C@@H](F)[C@@H](N)C2 |r,TLB:16:20:25.27.29:22.23|
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TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575958
PNG
(US11466016, Example 87 | {6-[(1S,2S,3S,5R)-3- amin...)
Show SMILES Cn1nc2ccc(-c3n[nH]c4nc(N5[C@@H]6CC[C@H]5[C@@H](F)[C@@H](N)C6)c(CO)nc34)c(F)c2c1Cl |r,TLB:12:13:22.20.18:15.16|
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n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Oryctolagus cuniculus (Rabbit))		BDBM107765
PNG
(US8598217, 166)
Show SMILES O=C(c1nc2nc(ccc2[nH]1)N1CCNCC1)c1ccc(C#N)c(c1)-c1cncc2ccccc12
Show InChI InChI=1S/C27H21N7O/c28-14-18-6-5-17(13-21(18)22-16-30-15-19-3-1-2-4-20(19)22)25(35)27-31-23-7-8-24(32-26(23)33-27)34-11-9-29-10-12-34/h1-8,13,15-16,29H,9-12H2,(H,31,32,33)
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US Patent
n/an/a 8n/an/an/an/a7.5n/a



Astex Therapeutics Ltd.; Novartis AG

US Patent


Assay Description
A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...

US Patent US8598217 (2013)


BindingDB Entry DOI: 10.7270/Q2BG2MN8
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575990
PNG
(5-{6- [(1R,2S,3S,5S)-3- amino-2-fluoro-8- azabi...)
Show SMILES Cc1nc2c(n[nH]c2nc1N1[C@H]2CC[C@@H]1[C@@H](F)[C@@H](N)C2)-c1ccc2nn(C)c(C#N)c2c1Cl |r|
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TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575871
PNG
(US11466016, Example 2 | exo-8-[7-(4- chloro-2- met...)
Show SMILES Cn1cc2c(Cl)c(ccc2n1)-c1c[nH]c2nc(cnc12)N1[C@H]2CC[C@@H]1C[C@@H](N)C2 |r|
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TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575961
PNG
((1R,2S,3S,5S)-8-[3-(4- Chloro-2-ethyl-2H-indazol- ...)
Show SMILES CCn1cc2c(Cl)c(ccc2n1)-c1n[nH]c2nc(N3[C@H]4CC[C@@H]3[C@@H](F)[C@@H](N)C4)c(C)nc12 |r,TLB:17:18:23.25.27:21.20|
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TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575954
PNG
(US11466016, Example 83 | {6-[(1R,2S,3S,5S)-3- amin...)
Show SMILES Cn1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(CO)nc34)c(F)c2c1Cl |r|
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TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575982
PNG
(US11466016, Example 117 | {3-[Chloro-3- (dimethyla...)
Show SMILES CN(C)c1cnc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5CNC6)c(CO)nc34)c(Cl)c2n1 |r,TLB:15:16:21.22.23:19.18|
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TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575997
PNG
(US11466016, Example 131 | {6-[endo-3-amino-3- met...)
Show SMILES CN(C)c1cnc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5C[C@@](C)(N)C6)c(CO)nc34)c(Cl)c2n1 |r,TLB:15:16:25.22.21:18.19|
PDB
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UniProtKB/SwissProt

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DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.80n/an/an/an/an/an/a


TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575942
PNG
(US11466016, Example 70 | endo-8-(7-{4-chloro-2- [(...)
Show SMILES Cn1ccc(Cn2cc3c(Cl)c(ccc3n2)-c2c[nH]c3nc(cnc23)N2[C@H]3CC[C@@H]2C[C@H](N)C3)n1 |r|
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.80n/an/an/an/an/an/a


TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM575972
PNG
(US11466016, Example 105 | {6-[(1R,2S,3S,5S)- 3-ami...)
Show SMILES Cn1nc2ccc(-c3n[nH]c4nc(N5[C@H]6CC[C@@H]5[C@@H](F)[C@@H](N)C6)c(CO)nc34)c(F)c2c1Br |r,TLB:12:13:18.20.22:16.15|
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.90n/an/an/an/an/an/a


TBA

Assay Description
SHP2 activity was monitored by measuring the conversion of the surrogate substrate 6,8-difluoromethylumbelliferyl phosphate (DiFMUP) to the fluoresce...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2Z322WK
More data for this
Ligand-Target Pair
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