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Compile Data Set for Download or QSAR

Found 3075 hits with Last Name = 'lloyd' and Initial = 'j'   
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))
BDBM50545960
PNG
(CHEMBL4740778 | US11649241, Example 9)
Show SMILES Nc1nn2cccnc2c1C(=O)Nc1c[nH]nc1-c1cc(Cl)ccc1OC(F)F
PDB

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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
PDB

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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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50545987
PNG
(CHEMBL4746726)
Show SMILES FC(F)Oc1cc2[nH]ncc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
PDB

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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
Tyrosine-protein kinase JAK2


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

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0.0710n/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))
BDBM50545944
PNG
(CHEMBL4744172)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
PDB

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0.0710n/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 JAK1


(Homo sapiens (Human))
BDBM50545987
PNG
(CHEMBL4746726)
Show SMILES FC(F)Oc1cc2[nH]ncc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
PDB

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0.0750n/an/an/an/an/an/an/an/a


TBA

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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50545964
PNG
(CHEMBL4746416)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnc2ccc(nn12)C#C
PDB

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0.0780n/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))
BDBM50545965
PNG
(CHEMBL4788860 | US11649241, Example 7)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1snc2cccnc12
PDB

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0.0850n/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))
BDBM50545945
PNG
(CHEMBL4777342)
Show SMILES Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
PDB

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0.0880n/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))
BDBM50545963
PNG
(CHEMBL4760406 | US11649241, Example 13)
Show SMILES Cc1ccn2ncc(C(=O)Nc3c[nH]nc3-c3cc(Cl)ccc3OC(F)F)c2n1
PDB

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0.100n/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 JAK1


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

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0.110n/an/an/an/an/an/an/an/a


TBA

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
Tyrosine-protein kinase JAK1


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

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0.120n/an/an/an/an/an/an/an/a


TBA

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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM521911
PNG
(N-[3-[3-(difluoromethoxy)-2- naphthyl]-1H-pyrazol-...)
Show SMILES FC(F)Oc1cc2ccccc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
PDB

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0.140n/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 JAK1


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

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0.150n/an/an/an/an/an/an/an/a


TBA

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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50545985
PNG
(CHEMBL4740223)
Show SMILES COc1cc(O)c(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
PDB

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0.160n/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))
BDBM50545982
PNG
(CHEMBL4756876)
Show SMILES FC(F)Oc1ccc(Cl)c(F)c1-c1n[nH]cc1NC(=O)c1cnn2cccnc12 |(22.91,-36.82,;23.68,-35.49,;25.22,-35.48,;22.91,-34.15,;23.67,-32.82,;25.21,-32.82,;25.98,-31.48,;25.19,-30.15,;25.95,-28.81,;23.66,-30.16,;22.88,-28.84,;22.91,-31.49,;21.37,-31.5,;20.87,-32.96,;19.33,-32.95,;18.86,-31.48,;20.12,-30.58,;20.13,-29.04,;18.8,-28.25,;17.45,-29.02,;18.81,-26.71,;17.56,-25.79,;18.05,-24.33,;19.59,-24.34,;20.63,-23.21,;22.12,-23.54,;22.59,-25.01,;21.55,-26.14,;20.05,-25.81,)|
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0.160n/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))
BDBM50545969
PNG
(CHEMBL4780070 | US11649241, Example 4)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cncc2scnc12
PDB

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0.170n/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))
BDBM50545976
PNG
(CHEMBL4798728)
Show SMILES FC(F)Oc1ccc(F)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
PDB

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0.190n/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 JAK1


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

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0.190n/an/an/an/an/an/an/an/a


TBA

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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50545978
PNG
(CHEMBL4757833)
Show SMILES CCc1ccc(OC(F)F)c(c1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
PDB

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0.190n/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))
BDBM521940
PNG
(N-[3-(6-methoxy-1H-indazol- 5-yl)-1H-pyrazol-4- yl...)
Show SMILES COc1cc2[nH]ncc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
PDB

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0.200n/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 JAK1


(Homo sapiens (Human))
BDBM50545944
PNG
(CHEMBL4744172)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
PDB

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0.210n/an/an/an/an/an/an/an/a


TBA

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
Tyrosine-protein kinase JAK1


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

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0.210n/an/an/an/an/an/an/an/a


TBA

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
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50545945
PNG
(CHEMBL4777342)
Show SMILES Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
PDB

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0.210n/an/an/an/an/an/an/an/a


TBA

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
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50545958
PNG
(CHEMBL4778284)
Show SMILES FC(F)Sc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
PDB

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0.230n/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))
BDBM50545957
PNG
(CHEMBL4750979)
Show SMILES CSc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cnn2cccnc12
PDB

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0.230n/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))
BDBM50545975
PNG
(CHEMBL4784721)
Show SMILES FC(F)Oc1ccc(cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12)C#N
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0.270n/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))
BDBM50545951
PNG
(CHEMBL4756764)
Show SMILES Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1C1CC1
PDB

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0.280n/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 JAK1


(Homo sapiens (Human))
BDBM50545964
PNG
(CHEMBL4746416)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnc2ccc(nn12)C#C
PDB

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0.290n/an/an/an/an/an/an/an/a


TBA

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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50545981
PNG
(CHEMBL4794915)
Show SMILES COc1ccc(Cl)c(F)c1-c1n[nH]cc1NC(=O)c1cnn2cccnc12 |(10.69,-35.34,;9.92,-34.01,;10.69,-32.68,;12.22,-32.67,;12.99,-31.34,;12.2,-30.01,;12.96,-28.67,;10.67,-30.03,;9.89,-28.7,;9.92,-31.35,;8.38,-31.36,;7.89,-32.82,;6.34,-32.81,;5.88,-31.34,;7.13,-30.44,;7.15,-28.9,;5.81,-28.11,;4.47,-28.88,;5.82,-26.57,;4.58,-25.65,;5.07,-24.19,;6.61,-24.2,;7.64,-23.08,;9.14,-23.4,;9.61,-24.88,;8.56,-26.01,;7.07,-25.67,)|
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0.290n/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 JAK1


(Homo sapiens (Human))
BDBM521940
PNG
(N-[3-(6-methoxy-1H-indazol- 5-yl)-1H-pyrazol-4- yl...)
Show SMILES COc1cc2[nH]ncc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
PDB

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0.300n/an/an/an/an/an/an/an/a


TBA

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
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM521911
PNG
(N-[3-[3-(difluoromethoxy)-2- naphthyl]-1H-pyrazol-...)
Show SMILES FC(F)Oc1cc2ccccc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
PDB

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0.310n/an/an/an/an/an/an/an/a


TBA

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
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50545985
PNG
(CHEMBL4740223)
Show SMILES COc1cc(O)c(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
PDB

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0.310n/an/an/an/an/an/an/an/a


TBA

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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM521938
PNG
(N-[3-(3-methoxy-2-naphthyl)- 1H-pyrazol-4-yl]pyraz...)
Show SMILES COc1cc2ccccc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
PDB

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0.340n/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))
BDBM50545977
PNG
(CHEMBL4760135)
Show SMILES Cc1ccc(OC(F)F)c(c1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
PDB

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0.340n/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))
BDBM50399019
PNG
(CHEMBL2178801)
Show SMILES COc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C18H15ClN6O2/c1-24-10-14(16(23-24)12-8-11(19)4-5-15(12)27-2)22-18(26)13-9-21-25-7-3-6-20-17(13)25/h3-10H,1-2H3,(H,22,26)
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0.350n/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))
BDBM50545952
PNG
(CHEMBL4800012)
Show SMILES COc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
PDB

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0.360n/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))
BDBM50399021
PNG
(CHEMBL2178799 | US8999998, 28)
Show SMILES Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C17H12Cl2N6O/c1-24-9-14(15(23-24)11-7-10(18)3-4-13(11)19)22-17(26)12-8-21-25-6-2-5-20-16(12)25/h2-9H,1H3,(H,22,26)
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0.420n/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))
BDBM153667
PNG
(US8999998, 170)
Show SMILES COc1ccc(Cl)cc1-c1nc(C)sc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C18H14ClN5O2S/c1-10-22-15(12-8-11(19)4-5-14(12)26-2)18(27-10)23-17(25)13-9-21-24-7-3-6-20-16(13)24/h3-9H,1-2H3,(H,23,25)
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0.450n/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))
BDBM50545954
PNG
(CHEMBL4762168)
Show SMILES Clc1ccc(OC2CC2)c(c1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
PDB

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0.450n/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 JAK1


(Homo sapiens (Human))
BDBM50545957
PNG
(CHEMBL4750979)
Show SMILES CSc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cnn2cccnc12
PDB

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0.460n/an/an/an/an/an/an/an/a


TBA

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
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50545965
PNG
(CHEMBL4788860 | US11649241, Example 7)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1snc2cccnc12
PDB

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0.470n/an/an/an/an/an/an/an/a


TBA

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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50545956
PNG
(CHEMBL4790609)
Show SMILES FC(F)(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
PDB

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0.490n/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))
BDBM50545946
PNG
(CHEMBL4760562)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cncc2c[nH]nc12
PDB

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0.490n/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))
BDBM50545970
PNG
(CHEMBL4778449 | US11649241, Example 10)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cncc2ccoc12
PDB

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0.5n/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 JAK1


(Homo sapiens (Human))
BDBM50545969
PNG
(CHEMBL4780070 | US11649241, Example 4)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cncc2scnc12
PDB

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0.510n/an/an/an/an/an/an/an/a


TBA

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
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50545978
PNG
(CHEMBL4757833)
Show SMILES CCc1ccc(OC(F)F)c(c1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
PDB

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0.530n/an/an/an/an/an/an/an/a


TBA

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
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50500133
PNG
(CHEMBL3747303)
Show SMILES [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(N=[N+]=[N-])nc12)C(=O)NC |r|
Show InChI InChI=1S/C14H17N9O3/c1-16-10-6-11(20-13(19-10)21-22-15)23(4-18-6)7-5-3-14(5,12(26)17-2)9(25)8(7)24/h4-5,7-9,24-25H,3H2,1-2H3,(H,17,26)(H,16,19,20)/t5-,7-,8+,9+,14+/m1/s1
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0.540n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from human adenosine A3 receptor stably expressed in CHO cell membrane...


Medchemcomm 6: 555-563


Article DOI: 10.1039/c4md00571f
BindingDB Entry DOI: 10.7270/Q2DB84W4
More data for this
Ligand-Target Pair
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