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Compile Data Set for Download or QSAR

Found 3983 hits with Last Name = 'gibbons' and Initial = 'p'   
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 kinase JAK2


(Homo sapiens (Human))
BDBM521949
PNG
(N-[3-[6-(difluoromethoxy)-2- methyl-3-oxo-4H-1,4- ...)
Show SMILES CC1Sc2cc(-c3n[nH]cc3NC(=O)c3cnn4cccnc34)c(OC(F)F)cc2NC1=O
PDB

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0.0300n/an/an/an/an/an/an/an/a


TBA

Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5S1D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM521947
PNG
(N-[3-[6-(difluoromethoxy)-2- methyl-3,4-dihydro-2H...)
Show SMILES CC1CNc2cc(OC(F)F)c(cc2S1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
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0.0300n/an/an/an/an/an/an/an/a


TBA

Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5S1D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM521924
PNG
(N-[3-[6-(difluoromethoxy)-3- oxo-4H-1,4-benzothiaz...)
Show SMILES FC(F)Oc1cc2NC(=O)CSc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
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0.0400n/an/an/an/an/an/an/an/a


TBA

Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5S1D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50545960
PNG
(CHEMBL4740778 | US11649241, Example 9)
Show SMILES Nc1nn2cccnc2c1C(=O)Nc1c[nH]nc1-c1cc(Cl)ccc1OC(F)F
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0.0420n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.008
BindingDB Entry DOI: 10.7270/Q269776T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50545980
PNG
(CHEMBL4764019)
Show SMILES FC(F)Oc1ccc(I)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
PDB

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0.0450n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.008
BindingDB Entry DOI: 10.7270/Q269776T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50545979
PNG
(CHEMBL4742159)
Show SMILES FC(F)Oc1ccc(Br)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
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0.0470n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.008
BindingDB Entry DOI: 10.7270/Q269776T
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50580080
PNG
(CHEMBL5090624)
Show SMILES COc1n[nH]c2ncc(NC(=O)c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)cc12
PDB
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<0.0500n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CRAF Y340D/Y341D mutant (unknown origin) using inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02085
BindingDB Entry DOI: 10.7270/Q2GT5S13
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50557775
PNG
(CHEMBL4758903)
Show SMILES Cc1cc(F)c(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1-c1ccc2c(cnn(C)c2=O)c1
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<0.0500n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CRAF Y340D/Y341D mutant (unknown origin) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured a...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00063
BindingDB Entry DOI: 10.7270/Q2DZ0D0Z
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50580083
PNG
(CHEMBL5094268)
Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1NC(=O)c1cccc2c(N)ncnc12
PDB
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<0.0500n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CRAF Y340D/Y341D mutant (unknown origin) using inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02085
BindingDB Entry DOI: 10.7270/Q2GT5S13
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50580084
PNG
(CHEMBL5075174)
Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1Nc1ccc2ncn(C)c(=O)c2c1
PDB
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<0.0500n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CRAF Y340D/Y341D mutant (unknown origin) using inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02085
BindingDB Entry DOI: 10.7270/Q2GT5S13
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM521947
PNG
(N-[3-[6-(difluoromethoxy)-2- methyl-3,4-dihydro-2H...)
Show SMILES CC1CNc2cc(OC(F)F)c(cc2S1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
PDB

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0.0500n/an/an/an/an/an/an/an/a


TBA

Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5S1D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM521949
PNG
(N-[3-[6-(difluoromethoxy)-2- methyl-3-oxo-4H-1,4- ...)
Show SMILES CC1Sc2cc(-c3n[nH]cc3NC(=O)c3cnn4cccnc34)c(OC(F)F)cc2NC1=O
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0.0500n/an/an/an/an/an/an/an/a


TBA

Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5S1D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM522020
PNG
(N-[3-[6-(difluoromethoxy)- 2,2-dimethyl-3,4-dihydr...)
Show SMILES CC1(C)CNc2cc(OC(F)F)c(cc2S1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
PDB

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0.0500n/an/an/an/an/an/an/an/a


TBA

Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5S1D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM521931
PNG
(N-[5-[6-(difluoromethoxy)- 1H-indazol-5-yl]-1H-pyr...)
Show SMILES Nc1cc(OC(F)F)c(cc1C=N)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
PDB

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0.0500n/an/an/an/an/an/an/an/a


TBA

Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5S1D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM521947
PNG
(N-[3-[6-(difluoromethoxy)-2- methyl-3,4-dihydro-2H...)
Show SMILES CC1CNc2cc(OC(F)F)c(cc2S1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
PDB

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0.0500n/an/an/an/an/an/an/an/a


TBA

Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5S1D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM521949
PNG
(N-[3-[6-(difluoromethoxy)-2- methyl-3-oxo-4H-1,4- ...)
Show SMILES CC1Sc2cc(-c3n[nH]cc3NC(=O)c3cnn4cccnc34)c(OC(F)F)cc2NC1=O
PDB

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0.0500n/an/an/an/an/an/an/an/a


TBA

Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5S1D
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50580082
PNG
(CHEMBL5079215)
Show SMILES CN(C(=O)Nc1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C)c1cc(N)ncn1
PDB
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<0.0500n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CRAF Y340D/Y341D mutant (unknown origin) using inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02085
BindingDB Entry DOI: 10.7270/Q2GT5S13
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50557773
PNG
(CHEMBL4778772)
Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1-c1ccc2c(cnn(C)c2=O)c1
PDB
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<0.0500n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CRAF Y340D/Y341D mutant (unknown origin) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured a...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00063
BindingDB Entry DOI: 10.7270/Q2DZ0D0Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM521924
PNG
(N-[3-[6-(difluoromethoxy)-3- oxo-4H-1,4-benzothiaz...)
Show SMILES FC(F)Oc1cc2NC(=O)CSc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
PDB

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0.0500n/an/an/an/an/an/an/an/a


TBA

Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5S1D
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50557772
PNG
(CHEMBL4775998)
Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1-c1ccc2cc(N)ncc2c1
PDB
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<0.0500n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CRAF Y340D/Y341D mutant (unknown origin) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured a...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00063
BindingDB Entry DOI: 10.7270/Q2DZ0D0Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50545987
PNG
(CHEMBL4746726)
Show SMILES FC(F)Oc1cc2[nH]ncc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
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0.0520n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.008
BindingDB Entry DOI: 10.7270/Q269776T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50545986
PNG
(CHEMBL4789075)
Show SMILES Oc1cc(OC(F)F)c(cc1Cl)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
PDB

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0.0570n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.008
BindingDB Entry DOI: 10.7270/Q269776T
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50580081
PNG
(CHEMBL5094514)
Show SMILES CNc1cc(ncn1)-c1cccnc1Nc1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C
PDB
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0.0600n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CRAF Y340D/Y341D mutant (unknown origin) using inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02085
BindingDB Entry DOI: 10.7270/Q2GT5S13
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50557774
PNG
(CHEMBL4776565)
Show SMILES Cc1cc(F)c(cc1-c1ccc2c(cnn(C)c2=O)c1)C(=O)NCCCC(C)(C)C
PDB
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TBA

Assay Description
Inhibition of CRAF Y340D/Y341D mutant (unknown origin) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured a...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00063
BindingDB Entry DOI: 10.7270/Q2DZ0D0Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM521922
PNG
(N-[3-[6-(difluoromethoxy)- 3,4-dihydro-2H-1,4- ben...)
Show SMILES FC(F)Oc1cc2NCCSc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
PDB

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0.0600n/an/an/an/an/an/an/an/a


TBA

Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5S1D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM521951
PNG
(N-[3-[6-(difluoromethoxy)-3- methyl-3,4-dihydro-2H...)
Show SMILES CC1CSc2cc(-c3n[nH]cc3NC(=O)c3cnn4cccnc34)c(OC(F)F)cc2N1
PDB

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TBA

Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5S1D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM521950
PNG
(N-[3-[6-(difluoromethoxy)-3- oxo-4H-1,4-benzoxazin...)
Show SMILES FC(F)Oc1cc2NC(=O)COc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
PDB

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TBA

Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5S1D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM522037
PNG
(N-[3-[6-(difluoromethoxy)- 3,4-dihydro-2H-1,4- ben...)
Show SMILES Cn1nnnc1Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2SCCNc2cc1OC(F)F
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TBA

Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5S1D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM522050
PNG
(N-[1-(cyanomethyl)-3-[6- (difluoromethoxy)-3,4- di...)
Show SMILES FC(F)Oc1cc2NCCSc2cc1-c1nn(CC#N)cc1NC(=O)c1cnn2cccnc12
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TBA

Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5S1D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM522051
PNG
(N-[3-[6-(difluoromethoxy)- 3,4-dihydro-2H-1,4- ben...)
Show SMILES FC(F)Oc1cc2NCCSc2cc1-c1nn(cc1NC(=O)c1cnn2cccnc12)C1CCOC1=O
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Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5S1D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM522062
PNG
(N-[3-[5-(difluoromethoxy)- 1,2-benzothiazol-6-yl]-...)
Show SMILES FC(F)Oc1cc2cnsc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
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Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5S1D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM521949
PNG
(N-[3-[6-(difluoromethoxy)-2- methyl-3-oxo-4H-1,4- ...)
Show SMILES CC1Sc2cc(-c3n[nH]cc3NC(=O)c3cnn4cccnc34)c(OC(F)F)cc2NC1=O
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Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5S1D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM521935
PNG
(N-[3-[5-(difluoromethoxy)-2- methyl-benzothiophen-...)
Show SMILES Cc1cc2cc(OC(F)F)c(cc2s1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
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Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5S1D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM521949
PNG
(N-[3-[6-(difluoromethoxy)-2- methyl-3-oxo-4H-1,4- ...)
Show SMILES CC1Sc2cc(-c3n[nH]cc3NC(=O)c3cnn4cccnc34)c(OC(F)F)cc2NC1=O
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Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5S1D
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50096279
PNG
(CHEMBL3577124)
Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C
Show InChI InChI=1S/C18H13N3O5/c22-14(23)5-4-10-8-21-13-7-12-9(6-15(24)25)2-1-3-11(12)16(13)20-18(26)17(21)19-10/h1-5,8H,6-7H2,(H,20,26)(H,22,23)(H,24,25)/b5-4+
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0.0610n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CRAF Y340D/Y341D mutant (unknown origin) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured a...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00063
BindingDB Entry DOI: 10.7270/Q2DZ0D0Z
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50557770
PNG
(CHEMBL4780060)
Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1Nc1ccc2ncn(C)c(=O)c2c1F
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Assay Description
Inhibition of CRAF Y340D/Y341D mutant (unknown origin) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured a...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00063
BindingDB Entry DOI: 10.7270/Q2DZ0D0Z
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50557770
PNG
(CHEMBL4780060)
Show SMILES Cc1cc(F)c(NC(=O)NCCC(C)(C)C)cc1Nc1ccc2ncn(C)c(=O)c2c1F
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TBA

Assay Description
Inhibition of CRAF Y340D/Y341D mutant (unknown origin) using inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02085
BindingDB Entry DOI: 10.7270/Q2GT5S13
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50096279
PNG
(CHEMBL3577124)
Show SMILES CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C
Show InChI InChI=1S/C18H13N3O5/c22-14(23)5-4-10-8-21-13-7-12-9(6-15(24)25)2-1-3-11(12)16(13)20-18(26)17(21)19-10/h1-5,8H,6-7H2,(H,20,26)(H,22,23)(H,24,25)/b5-4+
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0.0610n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CRAF Y340D/Y341D mutant (unknown origin) using inactive MAP2K1 as substrate preincubated for 30 mins measured after 90 mins by DELFIA a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02085
BindingDB Entry DOI: 10.7270/Q2GT5S13
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50557776
PNG
(CHEMBL4778419)
Show SMILES Cc1cc(F)c(NC(=O)c2cccc(c2)C(C)(C)C#N)cc1-c1cnc2c(cnn(C)c2=O)c1
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TBA

Assay Description
Inhibition of CRAF Y340D/Y341D mutant (unknown origin) assessed as using inactive phosphorylated MAP2K1 substrate preincubated for 30 mins measured a...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00063
BindingDB Entry DOI: 10.7270/Q2DZ0D0Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM521949
PNG
(N-[3-[6-(difluoromethoxy)-2- methyl-3-oxo-4H-1,4- ...)
Show SMILES CC1Sc2cc(-c3n[nH]cc3NC(=O)c3cnn4cccnc34)c(OC(F)F)cc2NC1=O
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TBA

Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5S1D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM521947
PNG
(N-[3-[6-(difluoromethoxy)-2- methyl-3,4-dihydro-2H...)
Show SMILES CC1CNc2cc(OC(F)F)c(cc2S1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
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Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5S1D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM521931
PNG
(N-[5-[6-(difluoromethoxy)- 1H-indazol-5-yl]-1H-pyr...)
Show SMILES Nc1cc(OC(F)F)c(cc1C=N)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
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Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5S1D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM522007
PNG
(N-[3-[6-(difluoromethoxy)-2- methyl-3-oxo-4H-1,4- ...)
Show SMILES CC1Sc2cc(-c3nn(C)cc3NC(=O)c3cnn4cccnc34)c(OC(F)F)cc2NC1=O
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Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5S1D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM522000
PNG
(N-[3-[6-(difluoromethoxy)-3- oxo-4H-1,4-benzothiaz...)
Show SMILES Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2SCC(=O)Nc2cc1OC(F)F
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TBA

Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5S1D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM522000
PNG
(N-[3-[6-(difluoromethoxy)-3- oxo-4H-1,4-benzothiaz...)
Show SMILES Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc2SCC(=O)Nc2cc1OC(F)F
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TBA

Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5S1D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM521947
PNG
(N-[3-[6-(difluoromethoxy)-2- methyl-3,4-dihydro-2H...)
Show SMILES CC1CNc2cc(OC(F)F)c(cc2S1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
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Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5S1D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM521947
PNG
(N-[3-[6-(difluoromethoxy)-2- methyl-3,4-dihydro-2H...)
Show SMILES CC1CNc2cc(OC(F)F)c(cc2S1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
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Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VH5S1D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50545961
PNG
(CHEMBL4793262)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnc2cccnn12
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TBA

Assay Description
Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.008
BindingDB Entry DOI: 10.7270/Q269776T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50545944
PNG
(CHEMBL4744172)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
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Assay Description
Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.008
BindingDB Entry DOI: 10.7270/Q269776T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50545987
PNG
(CHEMBL4746726)
Show SMILES FC(F)Oc1cc2[nH]ncc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
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0.0750n/an/an/an/an/an/an/an/a


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Assay Description
Inhibition of recombinant human JAK1 (854 to 1154 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.008
BindingDB Entry DOI: 10.7270/Q269776T
More data for this
Ligand-Target Pair
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