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Compile Data Set for Download or QSAR

Found 198 hits with Last Name = 'johansson' and Initial = 'jr'   
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 JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488661
PNG
((R)-N-(3-(2-((2-fluoro- 3- (methylsulfonyl)phenyl)...)
Show SMILES C[C@@H](N1CCN(CCO)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
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n/an/a<3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM489165
PNG
((R)-2-((R)-2,4- dimethylpiperazin-1- yl)-N-(3-(2-(...)
Show SMILES C[C@@H](N1CCN(C)C[C@H]1C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM489073
PNG
((R)-N-(3-(5-fluoro-2- ((2-fluoro-3- (methylsulfony...)
Show SMILES COC[C@@H](N1CCCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM489047
PNG
((R)-N-(3-(2-((2-fluoro- 3- (methylsulfonyl)phenyl)...)
Show SMILES COC[C@@H](N1CCCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
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n/an/a<3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488809
PNG
((R)-N-(3-(2-((2-fluoro-3- (methylsulfonyl)phenyl) ...)
Show SMILES CC[C@@H](N1CCCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488779
PNG
((R)-N-(3-(5-fluoro-2- (2-fluoro-3- (methylsulfonyl...)
Show SMILES COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
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n/an/a<3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488777
PNG
((R)-2-((3R,5R)-3,5- dimethylpiperazin-1- yl)-N-(3-...)
Show SMILES COC[C@@H](N1C[C@@H](C)N[C@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM489168
PNG
((R)-2-((R)-2,4- dimethylpiperazin-1- yl)-N-(3-(2-(...)
Show SMILES CC[C@@H](N1CCN(C)C[C@@H]1C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488662
PNG
((R)-N-(3-(2-(2-fluoro-3- (methylsulfonyl)phenyl am...)
Show SMILES C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488663
PNG
((R)-N-(3-(2-(3- (ethylsulfonyl)-2- fluorophenylami...)
Show SMILES CCS(=O)(=O)c1cccc(Nc2ncc(C)c(n2)-c2c[nH]c3c(NC(=O)[C@@H](C)N4CCN(C)CC4)cccc23)c1F |r|
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488667
PNG
((R)-N-(3-(2-(3- cyclopropylsulfonyl)- 2-fluorophen...)
Show SMILES C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(=O)(=O)C2CC2)ncc1C |r|
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM489179
PNG
((R)-3-ethoxy-N-(3-(2- ((2-fluoro-3- (methylsulfony...)
Show SMILES CCOC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM489172
PNG
((R)-2-((R)-2,4- dimethylpiperazin-1- yl)-N-(3-(2-(...)
Show SMILES COC[C@@H](N1CCN(C)C[C@H]1C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488685
PNG
((R)-N-(3-(2-((2-fluoro- 3- (methylsulfonyl)phenyl)...)
Show SMILES CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488689
PNG
((R)-N-(3-(2-((2-fluoro- 3- (methylsulfonyl)phenyl)...)
Show SMILES COC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
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n/an/a<3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488710
PNG
((R)-N-(3-(2-((2-fluoro- 3- (methylsulfonyl)phenyl)...)
Show SMILES COC[C@@H](N1C[C@H](C)N(C)[C@@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488719
PNG
((R)-2-((3R,5R)-3,5- dimethylpiperazin-1- yl)-N-(3-...)
Show SMILES CC[C@@H](N1C[C@@H](C)N[C@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488735
PNG
((S)-2-((3R,5R)-3,5- dimethylpiperazin-1- yl)-N-(3-...)
Show SMILES CC[C@H](N1C[C@@H](C)N[C@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488758
PNG
((R)-2-((3R,5R)-3,5- dimethylpiperazin-1- yl)-N-(3-...)
Show SMILES COC[C@@H](N1C[C@@H](C)N[C@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM489170
PNG
((R)-2-((R)-2,4- dimethylpiperazin-1- yl)-N-(3-(5-f...)
Show SMILES CC[C@@H](N1CCN(C)C[C@@H]1C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM489174
PNG
((R)-2-((R)-2,4- dimethylpiperazin-1- yl)-N-(3-(5-f...)
Show SMILES COC[C@@H](N1CCN(C)C[C@H]1C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488811
PNG
((R)-N-(3-(5-fluoro-2 ((2-fluoro-3- (methylsulfonyl...)
Show SMILES CC[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488674
PNG
((R)-2-((3S,5S)-3,5- dimethylpiperazin-1- yl)-N-(3-...)
Show SMILES C[C@@H](N1C[C@H](C)N[C@@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488690
PNG
((R)-N-(3-(5-fluoro-2- ((2-fluoro-3- methylsulfonyl...)
Show SMILES CC[C@@H](N1CCCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
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n/an/a 3.60n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM489046
PNG
((R)-N-(3-(5-fluoro-2- ((2-fluoro-3- (methylsulfony...)
Show SMILES COC[C@@H](N1C[C@H](C)N(C)[C@@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
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n/an/a 3.95n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488713
PNG
((R)-N-(3-(2-((2-fluoro-3- (methylsulfonyl)phenyl) ...)
Show SMILES C[C@@H](N1CCNCC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
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n/an/a 4.20n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM50503287
PNG
(ABT-494 | Rinvoq | US10961228, Example ABT-494 | U...)
Show SMILES CC[C@@H]1CN(C[C@@H]1c1cnc2cnc3[nH]ccc3n12)C(=O)NCC(F)(F)F |r|
Show InChI InChI=1S/C17H19F3N6O/c1-2-10-7-25(16(27)24-9-17(18,19)20)8-11(10)13-5-22-14-6-23-15-12(26(13)14)3-4-21-15/h3-6,10-11,21H,2,7-9H2,1H3,(H,24,27)/t10-,11+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488668
PNG
((R)-N-(3-(5-chloro-2- ((2-fluoro-3- methylsulfonyl...)
Show SMILES C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1Cl |r|
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488763
PNG
((R)-2-((3R,5R)-3,5- dimethylpiperazin-1- yl)-N-(3-...)
Show SMILES CC[C@@H](N1C[C@@H](C)N[C@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
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n/an/a 6.40n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488672
PNG
((R)-N-(3-(2-((2-fluoro-3- methylsulfonyl)phenyl) a...)
Show SMILES C[C@@H](N1C[C@H](C)N(C)[C@@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
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n/an/a 6.60n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM489177
PNG
((R)-2-((S)-2,4- dimethylpiperazin-1- yl)-N-(3-(2-(...)
Show SMILES CC[C@@H](N1CCN(C)C[C@H]1C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
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n/an/a 7.40n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM489166
PNG
((R)-2-((R)-2,4- dimethylpiperazin-1- yl)-N-(3-(5-f...)
Show SMILES C[C@H](N1CCN(C)C[C@H]1C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
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n/an/a 13n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488676
PNG
((R)-2-((3S,5S)-3,5- dimethylpiperazin-1- yl)-N-(3-...)
Show SMILES C[C@@H](N1C[C@H](C)N[C@@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM489171
PNG
((S)-2-((R)-2,4- dimethylpiperazin-1- yl)-N-(3-(2-(...)
Show SMILES COC[C@H](N1CCN(C)C[C@H]1C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
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n/an/a 14n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488761
PNG
((S)-2-((3R,5R)-3,5- dimethylpiperazin-1- yl)-N-(3-...)
Show SMILES CC[C@H](N1C[C@@H](C)N[C@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM489163
PNG
((R)-N-(3-(5-fluoro-2- ((2-fluoro-3- (methylsulfony...)
Show SMILES C[C@@H](N1CCCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
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n/an/a 19.8n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488684
PNG
((S)-N-(3-(2-((2-fluoro- 3- (methylsulfonyl)phenyl)...)
Show SMILES CC[C@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
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n/an/a 22.4n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488717
PNG
((S)-N-(3-(2-((2-fluoro-3- (methylsulfonyl)phenyl) ...)
Show SMILES C[C@H](N1CCNCC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
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n/an/a 22.8n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488673
PNG
((R)-N-(3-(5-fluoro-2- ((2-fluoro-3- methylsulfonyl...)
Show SMILES C[C@@H](N1C[C@H](C)N(C)[C@@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1F |r|
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n/an/a 24.5n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488640
PNG
(US10961228, Example Tofacitinib | US11414413, Exam...)
Show SMILES CC1CCN(CC1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM489180
PNG
((R)-3-(benzyloxy)-N- 3-(2-((2-fluoro-3- (methylsul...)
Show SMILES CN1CCN(CC1)[C@H](COCc1ccccc1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488675
PNG
((S)-2-((3S,5S)-3,5- dimethylpiperazin-1- yl)-N-(3-...)
Show SMILES C[C@H](N1C[C@H](C)N[C@@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
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n/an/a 39.8n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM489178
PNG
((S)-2-((S)-2,4- dimethylpiperazin-1- yl)-N-(3-(2-(...)
Show SMILES CC[C@H](N1CCN(C)C[C@H]1C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
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n/an/a 42.8n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488746
PNG
((S)-2-((3R,5R)-3,5- dimethylpiperazin-1- yl)-N-(3-...)
Show SMILES COC[C@H](N1C[C@@H](C)N[C@H](C)C1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM489167
PNG
((S)-2-((R)-2,4- dimethylpiperazin-1- yl)-N-(3-(2-(...)
Show SMILES CC[C@H](N1CCN(C)C[C@@H]1C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
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n/an/a 48.5n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM489175
PNG
((R)-2-((S)-2,4- dimethylpiperazin-1- yl)-N-(3-(2-(...)
Show SMILES C[C@@H](N1CCN(C)C[C@@H]1C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
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n/an/a 48.6n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488669
PNG
((S)-N-(3-(2-((2-fluoro-3- (methylsulfonyl)phenyl) ...)
Show SMILES C[C@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
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n/an/a 57.4n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 [831-1132]


(Homo sapiens (Human))
BDBM50503287
PNG
(ABT-494 | Rinvoq | US10961228, Example ABT-494 | U...)
Show SMILES CC[C@@H]1CN(C[C@@H]1c1cnc2cnc3[nH]ccc3n12)C(=O)NCC(F)(F)F |r|
Show InChI InChI=1S/C17H19F3N6O/c1-2-10-7-25(16(27)24-9-17(18,19)20)8-11(10)13-5-22-14-6-23-15-12(26(13)14)3-4-21-15/h3-6,10-11,21H,2,7-9H2,1H3,(H,24,27)/t10-,11+/m1/s1
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ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM488788
PNG
((S)-N-(3-(2-((2-fluoro-3- (methylsulfonyl)phenyl) ...)
Show SMILES CC[C@H](N1CCCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
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n/an/a 70.3n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM489181
PNG
((S)-3-(benzyloxy)-N- (3-(2-((2-fluoro-3- (methylsu...)
Show SMILES CN1CCN(CC1)[C@@H](COCc1ccccc1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccc(c2F)S(C)(=O)=O)ncc1C |r|
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n/an/a 73n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...


US Patent US10961228 (2021)


BindingDB Entry DOI: 10.7270/Q20G3P8F
More data for this
Ligand-Target Pair
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