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Compile Data Set for Download or QSAR

Found 757 hits with Last Name = 'crackett' 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))
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
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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
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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))
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 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 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))
BDBM50434787
PNG
(CHEMBL2386635 | US10487083, Example C | US10703751...)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:18.21,wD:15.17,1.1,(49.07,-5.95,;48.31,-7.29,;46.77,-7.3,;49.09,-8.62,;48.48,-10.02,;49.62,-11.04,;49.62,-12.58,;50.95,-13.35,;52.28,-12.58,;53.75,-13.05,;54.65,-11.81,;53.75,-10.56,;52.28,-11.04,;50.94,-10.26,;50.61,-8.77,;51.68,-7.66,;53.17,-8.05,;54.24,-6.95,;53.83,-5.47,;54.9,-4.37,;56.39,-4.75,;57.88,-5.12,;52.34,-5.09,;51.26,-6.19,)|
Show InChI InChI=1S/C18H21N5O/c1-11(24)18-22-15-10-21-17-14(7-9-20-17)16(15)23(18)13-4-2-12(3-5-13)6-8-19/h7,9-13,24H,2-6H2,1H3,(H,20,21)/t11-,12-,13-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
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))
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))
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 JAK1


(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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0.190n/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
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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))
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 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
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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
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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
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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 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))
BDBM50545964
PNG
(CHEMBL4746416)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnc2ccc(nn12)C#C
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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 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
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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))
BDBM50434786
PNG
(CHEMBL2386636)
Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CCC#N)CC1 |r,wU:18.21,wD:15.17,1.1,(64.55,-7.04,;63.79,-8.38,;62.25,-8.39,;64.57,-9.71,;63.96,-11.11,;65.11,-12.13,;65.11,-13.67,;66.43,-14.44,;67.77,-13.67,;69.24,-14.14,;70.14,-12.89,;69.23,-11.65,;67.77,-12.13,;66.42,-11.35,;66.1,-9.86,;67.17,-8.75,;68.66,-9.14,;69.73,-8.04,;69.32,-6.55,;70.39,-5.46,;71.88,-5.84,;72.96,-4.73,;74.03,-3.63,;67.82,-6.17,;66.74,-7.28,)|
Show InChI InChI=1S/C19H23N5O/c1-12(25)19-23-16-11-22-18-15(8-10-21-18)17(16)24(19)14-6-4-13(5-7-14)3-2-9-20/h8,10-14,25H,2-7H2,1H3,(H,21,22)/t12-,13-,14-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50372966
PNG
(CHEMBL270668)
Show SMILES COCCOC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 |c:12|
Show InChI InChI=1S/C27H30FN3O4S/c1-20-3-9-25(10-4-20)36(32,33)30-12-11-22-15-26-21(16-27(22,18-30)19-35-14-13-34-2)17-29-31(26)24-7-5-23(28)6-8-24/h3-10,15,17H,11-14,16,18-19H2,1-2H3/t27-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
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
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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))
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))
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))
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
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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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human recombinant GR


Bioorg Med Chem Lett 18: 1312-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.027
BindingDB Entry DOI: 10.7270/Q22Z16CP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using Leu-Pro-Leu-Asp-Lys-Asp-Tyr-Tyr-Val-Val-Arg as substrate after 30 mins in presence of ATP


J Med Chem 56: 4764-85 (2013)


Article DOI: 10.1021/jm4004895
BindingDB Entry DOI: 10.7270/Q2CV4K40
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50391996
PNG
(CHEMBL2152300)
Show SMILES O=C(CC#N)N1CCC[C@H](C1)n1cnc2cnc3[nH]ccc3c12 |r|
Show InChI InChI=1S/C16H16N6O/c17-5-3-14(23)21-7-1-2-11(9-21)22-10-20-13-8-19-16-12(15(13)22)4-6-18-16/h4,6,8,10-11H,1-3,7,9H2,(H,18,19)/t11-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)


Bioorg Med Chem Lett 23: 3592-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.018
BindingDB Entry DOI: 10.7270/Q2GH9KB2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Corcept Therapeutics

Curated by ChEMBL


Assay Description
Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus


Bioorg Med Chem Lett 17: 5704-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.055
BindingDB Entry DOI: 10.7270/Q2FX7B8B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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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
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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
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