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Compile Data Set for Download or QSAR

Found 1935 hits with Last Name = 'mukaiyama' and Initial = 't'   
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
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50348115
PNG
(CHEMBL1800654)
Show SMILES CC(C)S(=O)(=O)c1ccc2n(CC3CC3)c(CC(C)(C)C)nc2c1
Show InChI InChI=1S/C19H28N2O2S/c1-13(2)24(22,23)15-8-9-17-16(10-15)20-18(11-19(3,4)5)21(17)12-14-6-7-14/h8-10,13-14H,6-7,11-12H2,1-5H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity at human CB1 receptor

Bioorg Med Chem Lett 21: 4284-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.063
BindingDB Entry DOI: 10.7270/Q2959HXV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50348114
PNG
(CHEMBL1800653)
Show SMILES CN(C)CCn1c(CC(C)(C)C)nc2cc(ccc12)S(=O)(=O)CC(C)(C)O
Show InChI InChI=1S/C20H33N3O3S/c1-19(2,3)13-18-21-16-12-15(27(25,26)14-20(4,5)24)8-9-17(16)23(18)11-10-22(6)7/h8-9,12,24H,10-11,13-14H2,1-7H3
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>1.94E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity at human CB1 receptor

Bioorg Med Chem Lett 21: 4284-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.063
BindingDB Entry DOI: 10.7270/Q2959HXV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50348122
PNG
(CHEMBL1800168)
Show SMILES CCS(=O)(=O)c1ccc2n(CC3CC3)c(nc2c1)C(C)(C)C
Show InChI InChI=1S/C17H24N2O2S/c1-5-22(20,21)13-8-9-15-14(10-13)18-16(17(2,3)4)19(15)11-12-6-7-12/h8-10,12H,5-7,11H2,1-4H3
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>2.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity at human CB1 receptor

Bioorg Med Chem Lett 21: 4284-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.063
BindingDB Entry DOI: 10.7270/Q2959HXV
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))		BDBM545290
PNG
(US11286268, Compound 778)
Show SMILES Cc1cc(ccn1)-c1c(F)cc2nc(C)n(CCOc3ccc(Cl)cc3-c3cc(C)nc4c(csc34)C(O)=O)c(=O)c2c1C#N
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n/an/a 0.0700n/an/an/an/an/an/a


TBA

Assay Description
eIF4E protein was pre-incubated with EDA-m7GDP-ATTO-550 in FPB at 2xconcentrations for 5 minutes prior to the addition of compounds. Compounds (100x)...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W6V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM139691
PNG
(US8895544, 1)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H23F2N5O2/c1-2-15-12-25(36)21(30)13-20(15)17-5-8-19-23(11-17)33-34-26(19)27-31-22-9-10-35(14-24(22)32-27)28(37)16-3-6-18(29)7-4-16/h3-8,11-13,36H,2,9-10,14H2,1H3,(H,31,32)(H,33,34)
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n/an/a<0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...

J Med Chem 60: 767-786 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01634
BindingDB Entry DOI: 10.7270/Q24J0HDZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM139691
PNG
(US8895544, 1)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H23F2N5O2/c1-2-15-12-25(36)21(30)13-20(15)17-5-8-19-23(11-17)33-34-26(19)27-31-22-9-10-35(14-24(22)32-27)28(37)16-3-6-18(29)7-4-16/h3-8,11-13,36H,2,9-10,14H2,1H3,(H,31,32)(H,33,34)
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n/an/a 0.300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST tagged human recombinant JAK2 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...

J Med Chem 60: 767-786 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01634
BindingDB Entry DOI: 10.7270/Q24J0HDZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50234911
PNG
(CHEMBL3928932)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C22H18N4O/c1-2-13-11-15(27)8-10-16(13)14-7-9-17-20(12-14)25-26-21(17)22-23-18-5-3-4-6-19(18)24-22/h3-12,27H,2H2,1H3,(H,23,24)(H,25,26)
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...

J Med Chem 60: 767-786 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01634
BindingDB Entry DOI: 10.7270/Q24J0HDZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50234908
PNG
(CHEMBL4093813)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(Cc2[nH]1)C(C)=O
Show InChI InChI=1S/C23H23N5O2/c1-3-14-10-16(30)5-7-17(14)15-4-6-18-20(11-15)26-27-22(18)23-24-19-8-9-28(13(2)29)12-21(19)25-23/h4-7,10-11,30H,3,8-9,12H2,1-2H3,(H,24,25)(H,26,27)
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n/an/a 0.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...

J Med Chem 60: 767-786 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01634
BindingDB Entry DOI: 10.7270/Q24J0HDZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50234903
PNG
(CHEMBL4103980)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C22H17FN4O/c1-2-12-10-20(28)16(23)11-15(12)13-7-8-14-19(9-13)26-27-21(14)22-24-17-5-3-4-6-18(17)25-22/h3-11,28H,2H2,1H3,(H,24,25)(H,26,27)
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...

J Med Chem 60: 767-786 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01634
BindingDB Entry DOI: 10.7270/Q24J0HDZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50234904
PNG
(CHEMBL4086057)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1ncc[nH]1
Show InChI InChI=1S/C18H16N4O/c1-2-11-9-13(23)4-6-14(11)12-3-5-15-16(10-12)21-22-17(15)18-19-7-8-20-18/h3-10,23H,2H2,1H3,(H,19,20)(H,21,22)
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST tagged human recombinant JAK2 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...

J Med Chem 60: 767-786 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01634
BindingDB Entry DOI: 10.7270/Q24J0HDZ
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM139691
PNG
(US8895544, 1)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H23F2N5O2/c1-2-15-12-25(36)21(30)13-20(15)17-5-8-19-23(11-17)33-34-26(19)27-31-22-9-10-35(14-24(22)32-27)28(37)16-3-6-18(29)7-4-16/h3-8,11-13,36H,2,9-10,14H2,1H3,(H,31,32)(H,33,34)
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tyk2 (unknown origin) using peptide substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins by mic...

J Med Chem 60: 767-786 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01634
BindingDB Entry DOI: 10.7270/Q24J0HDZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50234904
PNG
(CHEMBL4086057)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1ncc[nH]1
Show InChI InChI=1S/C18H16N4O/c1-2-11-9-13(23)4-6-14(11)12-3-5-15-16(10-12)21-22-17(15)18-19-7-8-20-18/h3-10,23H,2H2,1H3,(H,19,20)(H,21,22)
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST tagged human recombinant JAK3 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...

J Med Chem 60: 767-786 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01634
BindingDB Entry DOI: 10.7270/Q24J0HDZ
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))		BDBM545157
PNG
(US11286268, Compound 643)
Show SMILES CN1CCN(Cc2c(cc3nc(C)n(CC#Cc4ccc(Cl)cc4-c4ccnc5c(C(O)=O)c(C)sc45)c(=O)c3c2C#N)C(F)(F)F)CC1
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n/an/a 0.832n/an/an/an/an/an/a


TBA

Assay Description
eIF4E protein was pre-incubated with EDA-m7GDP-ATTO-550 in FPB at 2xconcentrations for 5 minutes prior to the addition of compounds. Compounds (100x)...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W6V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50234904
PNG
(CHEMBL4086057)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1ncc[nH]1
Show InChI InChI=1S/C18H16N4O/c1-2-11-9-13(23)4-6-14(11)12-3-5-15-16(10-12)21-22-17(15)18-19-7-8-20-18/h3-10,23H,2H2,1H3,(H,19,20)(H,21,22)
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n/an/a 0.900n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...

J Med Chem 60: 767-786 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01634
BindingDB Entry DOI: 10.7270/Q24J0HDZ
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))		BDBM545209
PNG
(US11286268, Compound 695)
Show SMILES Cc1cc(-c2cc(Cl)ccc2OCCn2c(C)nc3cc(Cl)c(O)c(C#N)c3c2=O)c2scc(C(O)=O)c2n1
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n/an/a 1.05n/an/an/an/an/an/a


TBA

Assay Description
eIF4E protein was pre-incubated with EDA-m7GDP-ATTO-550 in FPB at 2xconcentrations for 5 minutes prior to the addition of compounds. Compounds (100x)...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W6V
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))		BDBM544933
PNG
(US11286268, Compound 419)
Show SMILES Cc1cc(-c2cc(Cl)ccc2OCCn2c(C)nc3cnc(C)c(C#N)c3c2=O)c2scc(C(O)=O)c2n1
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n/an/a 1.08n/an/an/an/an/an/a


TBA

Assay Description
eIF4E protein was pre-incubated with EDA-m7GDP-ATTO-550 in FPB at 2xconcentrations for 5 minutes prior to the addition of compounds. Compounds (100x)...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W6V
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))		BDBM545738
PNG
(US11286268, Compound 1228)
Show SMILES CN1CCN(CC1)c1c(cc2nc(C)n(CCOc3ccc(Cl)cc3-c3ccnc4c(csc34)-c3nn[nH]n3)c(=O)c2c1C#N)C(F)(F)F
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n/an/a 1.11n/an/an/an/an/an/a


TBA

Assay Description
eIF4E protein was pre-incubated with EDA-m7GDP-ATTO-550 in FPB at 2xconcentrations for 5 minutes prior to the addition of compounds. Compounds (100x)...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W6V
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))		BDBM545525
PNG
(US11286268, Compound 1016)
Show SMILES CCc1cc(-c2cc(Cl)ccc2OCCn2c(C)nc3cnc(-c4ccccc4)c(C#N)c3c2=O)c2scc(C(O)=O)c2n1
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n/an/a 1.11n/an/an/an/an/an/a


TBA

Assay Description
eIF4E protein was pre-incubated with EDA-m7GDP-ATTO-550 in FPB at 2xconcentrations for 5 minutes prior to the addition of compounds. Compounds (100x)...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W6V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50234909
PNG
(CHEMBL4069951)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(Cc2[nH]1)S(C)(=O)=O
Show InChI InChI=1S/C22H23N5O3S/c1-3-13-10-15(28)5-7-16(13)14-4-6-17-19(11-14)25-26-21(17)22-23-18-8-9-27(31(2,29)30)12-20(18)24-22/h4-7,10-11,28H,3,8-9,12H2,1-2H3,(H,23,24)(H,25,26)
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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...

J Med Chem 60: 767-786 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01634
BindingDB Entry DOI: 10.7270/Q24J0HDZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50234909
PNG
(CHEMBL4069951)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(Cc2[nH]1)S(C)(=O)=O
Show InChI InChI=1S/C22H23N5O3S/c1-3-13-10-15(28)5-7-16(13)14-4-6-17-19(11-14)25-26-21(17)22-23-18-8-9-27(31(2,29)30)12-20(18)24-22/h4-7,10-11,28H,3,8-9,12H2,1-2H3,(H,23,24)(H,25,26)
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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST tagged human recombinant JAK3 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...

J Med Chem 60: 767-786 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01634
BindingDB Entry DOI: 10.7270/Q24J0HDZ
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))		BDBM544886
PNG
(US11286268, Compound 369)
Show SMILES COc1c(CN(C)C)cc2nc(C)n(CCOc3ccc(Cl)cc3-c3cc(C)nc4c(csc34)C(O)=O)c(=O)c2c1C#N
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n/an/a 1.32n/an/an/an/an/an/a


TBA

Assay Description
eIF4E protein was pre-incubated with EDA-m7GDP-ATTO-550 in FPB at 2xconcentrations for 5 minutes prior to the addition of compounds. Compounds (100x)...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W6V
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))		BDBM544980
PNG
(US11286268, Compound 465 | US11286268, Compound 93...)
Show SMILES Cc1cc(cc(C)n1)-c1c(cc2nc(C)n(CCOc3ccc(Cl)cc3-c3cc(C)nc4c(csc34)C(O)=O)c(=O)c2c1C#N)C(F)(F)F
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eIF4E protein was pre-incubated with EDA-m7GDP-ATTO-550 in FPB at 2xconcentrations for 5 minutes prior to the addition of compounds. Compounds (100x)...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W6V
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))		BDBM545407
PNG
(US11286268, Compound 897)
Show SMILES COc1ncc2nc(C)n(CCOc3ccc(Cl)cc3-c3cc(C)nc4c(csc34)C(O)=O)c(=O)c2c1C#N
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eIF4E protein was pre-incubated with EDA-m7GDP-ATTO-550 in FPB at 2xconcentrations for 5 minutes prior to the addition of compounds. Compounds (100x)...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W6V
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))		BDBM545578
PNG
(US11286268, Compound 1069)
Show SMILES CCc1cc(-c2cc(Cl)ccc2OCCn2c(C)nc3c(C)nc(N)c(C#N)c3c2=O)c2scc(C(O)=O)c2n1
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eIF4E protein was pre-incubated with EDA-m7GDP-ATTO-550 in FPB at 2xconcentrations for 5 minutes prior to the addition of compounds. Compounds (100x)...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W6V
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))		BDBM545153
PNG
(US11286268, Compound 639 | US11286268, Compound 89...)
Show SMILES CCc1cc(-c2cc(Cl)ccc2OCCn2c(C)nc3cc(CN(C)C)c(OC(F)F)c(C#N)c3c2=O)c2scc(C(O)=O)c2n1
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eIF4E protein was pre-incubated with EDA-m7GDP-ATTO-550 in FPB at 2xconcentrations for 5 minutes prior to the addition of compounds. Compounds (100x)...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W6V
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))		BDBM545153
PNG
(US11286268, Compound 639 | US11286268, Compound 89...)
Show SMILES CCc1cc(-c2cc(Cl)ccc2OCCn2c(C)nc3cc(CN(C)C)c(OC(F)F)c(C#N)c3c2=O)c2scc(C(O)=O)c2n1
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eIF4E protein was pre-incubated with EDA-m7GDP-ATTO-550 in FPB at 2xconcentrations for 5 minutes prior to the addition of compounds. Compounds (100x)...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W6V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50234913
PNG
(CHEMBL4096219)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)C(N)=O
Show InChI InChI=1S/C16H15N3O2/c1-2-9-7-11(20)4-6-12(9)10-3-5-13-14(8-10)18-19-15(13)16(17)21/h3-8,20H,2H2,1H3,(H2,17,21)(H,18,19)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...

J Med Chem 60: 767-786 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01634
BindingDB Entry DOI: 10.7270/Q24J0HDZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM139691
PNG
(US8895544, 1)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H23F2N5O2/c1-2-15-12-25(36)21(30)13-20(15)17-5-8-19-23(11-17)33-34-26(19)27-31-22-9-10-35(14-24(22)32-27)28(37)16-3-6-18(29)7-4-16/h3-8,11-13,36H,2,9-10,14H2,1H3,(H,31,32)(H,33,34)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST tagged human recombinant JAK3 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...

J Med Chem 60: 767-786 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01634
BindingDB Entry DOI: 10.7270/Q24J0HDZ
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))		BDBM544904
PNG
(US11286268, Compound 390)
Show SMILES Cc1cc(-c2cc(Cl)ccc2OCCn2c(C)nc3cc(c(Cc4ccccn4)nc3c2=O)C(F)(F)F)c2scc(C(O)=O)c2n1
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eIF4E protein was pre-incubated with EDA-m7GDP-ATTO-550 in FPB at 2xconcentrations for 5 minutes prior to the addition of compounds. Compounds (100x)...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W6V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50234910
PNG
(CHEMBL4097152)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(Cc3ccccc3)Cc2[nH]1
Show InChI InChI=1S/C28H26FN5O/c1-2-18-13-26(35)22(29)14-21(18)19-8-9-20-24(12-19)32-33-27(20)28-30-23-10-11-34(16-25(23)31-28)15-17-6-4-3-5-7-17/h3-9,12-14,35H,2,10-11,15-16H2,1H3,(H,30,31)(H,32,33)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...

J Med Chem 60: 767-786 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01634
BindingDB Entry DOI: 10.7270/Q24J0HDZ
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))		BDBM545084
PNG
(US11286268, Compound 569)
Show SMILES Cc1nc2cc(cc(C#N)c2c(=O)n1CCOc1ccc(Cl)cc1-c1ccnc2c(csc12)C(=O)NS(C)(=O)=O)C(F)(F)F
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eIF4E protein was pre-incubated with EDA-m7GDP-ATTO-550 in FPB at 2xconcentrations for 5 minutes prior to the addition of compounds. Compounds (100x)...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W6V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50234912
PNG
(CHEMBL4066236)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(C)Cc2[nH]1
Show InChI InChI=1S/C22H23N5O/c1-3-13-10-15(28)5-7-16(13)14-4-6-17-19(11-14)25-26-21(17)22-23-18-8-9-27(2)12-20(18)24-22/h4-7,10-11,28H,3,8-9,12H2,1-2H3,(H,23,24)(H,25,26)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...

J Med Chem 60: 767-786 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01634
BindingDB Entry DOI: 10.7270/Q24J0HDZ
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))		BDBM546104
PNG
(US11286268, Compound 1603)
Show SMILES CN(C1CCN(CC(C)(F)F)CC1)c1ncc2nc(C)n(CC#Cc3ccc(Cl)cc3-c3ccnc4c(csc34)C(=O)NS(=O)(=O)C(F)(F)F)c(=O)c2c1C#N
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Assay Description
eIF4E protein was pre-incubated with EDA-m7GDP-ATTO-550 in FPB at 2xconcentrations for 5 minutes prior to the addition of compounds. Compounds (100x)...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W6V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50234911
PNG
(CHEMBL3928932)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C22H18N4O/c1-2-13-11-15(27)8-10-16(13)14-7-9-17-20(12-14)25-26-21(17)22-23-18-5-3-4-6-19(18)24-22/h3-12,27H,2H2,1H3,(H,23,24)(H,25,26)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST tagged human recombinant JAK2 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...

J Med Chem 60: 767-786 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01634
BindingDB Entry DOI: 10.7270/Q24J0HDZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM139694
PNG
(US8895544, 4)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1cnc(cn1)N1CCCCC1
Show InChI InChI=1S/C31H31FN8O2/c1-2-18-13-27(41)22(32)14-21(18)19-6-7-20-24(12-19)37-38-29(20)30-35-23-8-11-40(17-26(23)36-30)31(42)25-15-34-28(16-33-25)39-9-4-3-5-10-39/h6-7,12-16,41H,2-5,8-11,17H2,1H3,(H,35,36)(H,37,38)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...

J Med Chem 60: 767-786 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01634
BindingDB Entry DOI: 10.7270/Q24J0HDZ
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))		BDBM544984
PNG
(US11286268, Compound 469)
Show SMILES Cc1cc(c(C)cn1)-c1c(cc2nc(C)n(CCOc3ccc(Cl)cc3-c3cc(C)nc4c(csc34)C(O)=O)c(=O)c2c1C#N)C(F)(F)F |(-10,-2.69,;-8.67,-1.93,;-7.34,-2.69,;-6,-1.93,;-6,-.38,;-4.67,.38,;-7.34,.38,;-8.67,-.38,;-4.67,-2.69,;-4.67,-4.23,;-3.33,-5,;-2,-4.23,;-.67,-5,;.67,-4.23,;2,-5,;.67,-2.69,;2,-1.93,;2,-.38,;3.33,.38,;3.33,1.93,;2,2.69,;2,4.23,;3.33,5,;3.33,6.54,;4.67,4.23,;4.67,2.69,;6,1.93,;7.34,2.69,;8.67,1.93,;10,2.69,;8.67,.38,;7.34,-.38,;7.02,-1.89,;5.48,-2.05,;4.86,-.65,;6,.38,;8.05,-3.04,;7.57,-4.5,;9.55,-2.72,;-.67,-1.93,;-.67,-.38,;-2,-2.69,;-3.33,-1.93,;-3.33,-.38,;-3.33,1.15,;-6,-5,;-7.34,-4.23,;-6,-6.54,;-7.34,-5.78,)|
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eIF4E protein was pre-incubated with EDA-m7GDP-ATTO-550 in FPB at 2xconcentrations for 5 minutes prior to the addition of compounds. Compounds (100x)...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W6V
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))		BDBM545105
PNG
(US11286268, Compound 590)
Show SMILES CC1C=C(c2scc(C(O)=O)c2N1=O)c1cc(Cl)ccc1OCCn1c(C)nc2cc(cc(C#N)c2c1=O)C(F)(F)F |c:2|
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Assay Description
eIF4E protein was pre-incubated with EDA-m7GDP-ATTO-550 in FPB at 2xconcentrations for 5 minutes prior to the addition of compounds. Compounds (100x)...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W6V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50234899
PNG
(CHEMBL4089515)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)N1CC[C@H](C1)S(=O)(=O)c1cccc(O)c1 |r|
Show InChI InChI=1S/C24H30N6O4S/c1-16-7-10-30(14-21(16)28(2)23-20-6-9-25-22(20)26-15-27-23)24(32)29-11-8-19(13-29)35(33,34)18-5-3-4-17(31)12-18/h3-6,9,12,15-16,19,21,31H,7-8,10-11,13-14H2,1-2H3,(H,25,26,27)/t16-,19-,21+/m1/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...

J Med Chem 60: 767-786 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01634
BindingDB Entry DOI: 10.7270/Q24J0HDZ
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))		BDBM545347
PNG
(US11286268, Compound 836)
Show SMILES CN1CCN(CC1)c1c(cc2nc(C)n(CCOc3ccc(Cl)cc3-c3cc(C)nc4ccsc34)c(=O)c2c1C#N)C(F)(F)F
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Assay Description
eIF4E protein was pre-incubated with EDA-m7GDP-ATTO-550 in FPB at 2xconcentrations for 5 minutes prior to the addition of compounds. Compounds (100x)...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W6V
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))		BDBM545511
PNG
(US11286268, Compound 1002)
Show SMILES CN(C)c1ncc2cc(C)n(CCOc3ccc(Cl)cc3-c3cc(C)nc4c(csc34)C(O)=O)c(=O)c2c1C#N
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Assay Description
eIF4E protein was pre-incubated with EDA-m7GDP-ATTO-550 in FPB at 2xconcentrations for 5 minutes prior to the addition of compounds. Compounds (100x)...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W6V
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))		BDBM545305
PNG
(US11286268, Compound 792)
Show SMILES Cc1cc(-c2cc(Cl)ccc2OCCn2c(C)nc3cnc(Cl)c(C#N)c3c2=O)c2scc(C(O)=O)c2n1
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Assay Description
eIF4E protein was pre-incubated with EDA-m7GDP-ATTO-550 in FPB at 2xconcentrations for 5 minutes prior to the addition of compounds. Compounds (100x)...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W6V
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))		BDBM545447
PNG
(US11286268, Compound 938)
Show SMILES Cc1cc(-c2cc(Cl)ccc2OCCn2c(C)nc3cc(c(nc3c2=O)C(C)(C)O)C(F)(F)F)c2scc(C(O)=O)c2n1
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Assay Description
eIF4E protein was pre-incubated with EDA-m7GDP-ATTO-550 in FPB at 2xconcentrations for 5 minutes prior to the addition of compounds. Compounds (100x)...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W6V
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))		BDBM545130
PNG
(US11286268, Compound 616)
Show SMILES CN1CCN(Cc2c(cc3nc(C)n(CC#Cc4ccc(Cl)cc4-c4cc(C)nc5c(csc45)C(O)=O)c(=O)c3c2C#N)C(F)(F)F)CC1
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Assay Description
eIF4E protein was pre-incubated with EDA-m7GDP-ATTO-550 in FPB at 2xconcentrations for 5 minutes prior to the addition of compounds. Compounds (100x)...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W6V
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))		BDBM545733
PNG
(US11286268, Compound 1223)
Show SMILES CCc1cc(cc(n1)C(O)=O)-c1cc(Cl)ccc1OCCn1c(C)nc2cc(c(N3CCN(C)CC3)c(C#N)c2c1=O)C(F)(F)F
PDB

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UniProtKB/SwissProt

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n/an/a 2.79n/an/an/an/an/an/a


TBA

Assay Description
eIF4E protein was pre-incubated with EDA-m7GDP-ATTO-550 in FPB at 2xconcentrations for 5 minutes prior to the addition of compounds. Compounds (100x)...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W6V
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))		BDBM544884
PNG
(US11286268, Compound 367)
Show SMILES Cc1cc(-c2cc(Cl)ccc2OCCn2c(C)nc3cc(F)c(CN4CCOCC4)c(C#N)c3c2=O)c2scc(C(O)=O)c2n1
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n/an/a 2.87n/an/an/an/an/an/a


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Assay Description
eIF4E protein was pre-incubated with EDA-m7GDP-ATTO-550 in FPB at 2xconcentrations for 5 minutes prior to the addition of compounds. Compounds (100x)...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W6V
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))		BDBM544953
PNG
(US11286268, Compound 439a)
Show SMILES CN(C)c1c(cc2nc(C)n(CCOc3ccc(Cl)cc3-c3cc(C)nc4c(csc34)C(O)=O)c(=O)c2c1C#N)C(F)F
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UniProtKB/SwissProt

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n/an/a 2.87n/an/an/an/an/an/a


TBA

Assay Description
eIF4E protein was pre-incubated with EDA-m7GDP-ATTO-550 in FPB at 2xconcentrations for 5 minutes prior to the addition of compounds. Compounds (100x)...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W6V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50234912
PNG
(CHEMBL4066236)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(C)Cc2[nH]1
Show InChI InChI=1S/C22H23N5O/c1-3-13-10-15(28)5-7-16(13)14-4-6-17-19(11-14)25-26-21(17)22-23-18-8-9-27(2)12-20(18)24-22/h4-7,10-11,28H,3,8-9,12H2,1-2H3,(H,23,24)(H,25,26)
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n/an/a 2.90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST tagged human recombinant JAK3 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...

J Med Chem 60: 767-786 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01634
BindingDB Entry DOI: 10.7270/Q24J0HDZ
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))		BDBM544834
PNG
(US11286268, Compound 318)
Show SMILES Cc1c(c2cc(cc(C#N)c2c(=O)n1CCOc1ccc(Cl)cc1-c1ccnc2c(csc12)C(O)=O)C(F)(F)F)S(C)(=O)=O
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UniProtKB/SwissProt

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n/an/a 2.92n/an/an/an/an/an/a


TBA

Assay Description
eIF4E protein was pre-incubated with EDA-m7GDP-ATTO-550 in FPB at 2xconcentrations for 5 minutes prior to the addition of compounds. Compounds (100x)...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W6V
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))		BDBM545132
PNG
(US11286268, Compound 618)
Show SMILES CN(Cc1cc2nc(C)n(CCOc3ccc(Cl)cc3-c3cc(C)nc4c(csc34)C(O)=O)c(=O)c2c(C#N)c1OC(F)F)C(C)(C)C
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UniProtKB/SwissProt

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n/an/a 2.98n/an/an/an/an/an/a


TBA

Assay Description
eIF4E protein was pre-incubated with EDA-m7GDP-ATTO-550 in FPB at 2xconcentrations for 5 minutes prior to the addition of compounds. Compounds (100x)...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W6V
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 4E-binding protein 1


(Homo sapiens (Human))		BDBM545732
PNG
(US11286268, Compound 1222)
Show SMILES CN1CCN(CC1)c1c(cc2nc(C)n(CCOc3ccc(Cl)cc3-c3cc(C)nc(c3)C(O)=O)c(=O)c2c1C#N)C(F)(F)F
PDB

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UniProtKB/SwissProt

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n/an/a 3.02n/an/an/an/an/an/a


TBA

Assay Description
eIF4E protein was pre-incubated with EDA-m7GDP-ATTO-550 in FPB at 2xconcentrations for 5 minutes prior to the addition of compounds. Compounds (100x)...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W6V
More data for this
Ligand-Target Pair
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