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Compile Data Set for Download or QSAR

Found 398 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 1465   
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))
BDBM324607
PNG
(2-[4-[[8-[8-(3- fluoroazetidine-1- carbonyl)-3,8- ...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(F)C2)cn1
PDB

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0.200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent




US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324623
PNG
(1-[4-(2- methylsulfanylethyl)piperazin- 1-yl]-2-[4...)
Show SMILES CSCCN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(C2)C(F)(F)F)cn1
PDB

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Genentech, Inc.

US Patent




US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324623
PNG
(1-[4-(2- methylsulfanylethyl)piperazin- 1-yl]-2-[4...)
Show SMILES CSCCN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(C2)C(F)(F)F)cn1
PDB

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Genentech, Inc.

US Patent




US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324625
PNG
(2-[4-[[8-[8-(4,4- difluoropiperidine-1- carbonyl)-...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CCC(F)(F)CC2)cn1
PDB

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Genentech, Inc.

US Patent




US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324590
PNG
(1-[3-[2-[[1-[2-(4- cyclohexylpiperazin-1-yl)- 2-ox...)
Show SMILES FC(F)(F)CCC(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(CC4)C4CCCCC4)c3)nc12
PDB

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US Patent




US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324428
PNG
(2-[4-[[8-[(1S,5R)-8- benzyloxy-3- azabicyclo[3.2.1...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2C[C@@H]3CC[C@H](C2)[C@@H]3OCc2ccccc2)cn1 |r|
PDB

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Genentech, Inc.

US Patent




US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324545
PNG
(2-[4-[[8-[8-(4- chlorophenyl)-3,8- diazabicyclo[3....)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3c2ccc(Cl)cc2)cn1
PDB

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Genentech, Inc.

US Patent




US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324572
PNG
(1-(4-methylpiperazin-1- yl)-2-[4-[[8-[8-(4- (trifl...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2ccc(cc2)C(F)(F)F)cn1
PDB

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Genentech, Inc.

US Patent




US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324578
PNG
(2-[4-[[8-[8-[3-hydroxy-3- (trifluoromethyl)azetidi...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(O)(C2)C(F)(F)F)cn1
PDB

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Genentech, Inc.

US Patent




US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324625
PNG
(2-[4-[[8-[8-(4,4- difluoropiperidine-1- carbonyl)-...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CCC(F)(F)CC2)cn1
PDB

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Genentech, Inc.

US Patent




US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324513
PNG
(1-[4-(thietan-3- yl)piperazin-1-yl]-2-[4-[4 [[8-[8...)
Show SMILES FC(F)(F)[C@@H]1C[C@@H](C1)C(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(CC4)C4CSC4)c3)nc12 |r,wU:6.8,4.3,(12.15,-6.04,;10.81,-5.27,;10.04,-6.6,;11.58,-3.93,;9.48,-4.5,;9.08,-3.01,;7.59,-3.41,;7.99,-4.9,;6.26,-2.64,;4.93,-3.41,;6.26,-1.1,;4.93,-.33,;5.53,.52,;6.99,.52,;7.59,-.33,;7.59,1.21,;6.26,1.98,;4.93,1.21,;6.26,3.52,;7.59,4.29,;7.59,5.83,;6.25,6.6,;4.92,5.83,;3.46,6.3,;2.55,5.05,;1.01,5.05,;.24,3.72,;.87,2.31,;-.27,1.28,;-1.61,2.05,;-3.07,1.58,;-4.22,2.61,;-3.9,4.11,;-5.68,2.13,;-6.83,3.16,;-8.29,2.69,;-8.61,1.18,;-7.47,.15,;-6,.62,;-10.08,.7,;-11.45,1.4,;-12.15,.03,;-10.78,-.67,;-1.29,3.56,;3.46,3.81,;4.92,4.29,)|
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Genentech, Inc.

US Patent




US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324519
PNG
(2-[4-[[8-[8-(3- chlorophenyl)sulfonyl-3,8- diazabi...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2cccc(Cl)c2)cn1
PDB

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Genentech, Inc.

US Patent




US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324519
PNG
(2-[4-[[8-[8-(3- chlorophenyl)sulfonyl-3,8- diazabi...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2cccc(Cl)c2)cn1
PDB

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Genentech, Inc.

US Patent




US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324607
PNG
(2-[4-[[8-[8-(3- fluoroazetidine-1- carbonyl)-3,8- ...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(F)C2)cn1
PDB

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Genentech, Inc.

US Patent




US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324620
PNG
(2-[[3-[2-[[1-[2-(4- methylpiperazin-1-yl)-2- oxo-e...)
Show SMILES CCS(=O)(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(C)CC4)c3)nc12
PDB

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Genentech, Inc.

US Patent




US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324626
PNG
(1-(4-methylpiperazin-1- yl)-2-[4-[[8-[rac-(1S,5R)-...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2C[C@@H]3CC[C@H](C2)[C@H]3OCc2ccncc2)cn1 |r|
PDB

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Genentech, Inc.

US Patent




US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324590
PNG
(1-[3-[2-[[1-[2-(4- cyclohexylpiperazin-1-yl)- 2-ox...)
Show SMILES FC(F)(F)CCC(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(CC4)C4CCCCC4)c3)nc12
PDB

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Genentech, Inc.

US Patent




US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324634
PNG
(1-[4-(2- methylsulfanylethyl)- piperazin-1-yl]-2-[...)
Show SMILES CSCCN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)C2CC(C2)C(F)(F)F)cn1 |(-12.99,1.1,;-11.75,.19,;-10.34,.81,;-9.1,-.11,;-7.69,.51,;-6.45,-.4,;-5.04,.21,;-4.87,1.74,;-6.11,2.66,;-7.52,2.04,;-3.45,2.36,;-3.28,3.89,;-2.21,1.45,;-.8,2.07,;-.47,3.57,;1.06,3.72,;1.84,5.05,;3.38,5.05,;4.29,3.81,;5.75,4.28,;7.08,3.52,;8.42,4.29,;8.41,5.83,;7.08,6.6,;5.75,5.82,;4.28,6.3,;7.09,1.98,;5.76,1.2,;5.76,-.34,;6.37,.51,;7.82,.52,;8.43,-.33,;8.42,1.21,;7.09,-1.1,;7.1,-2.64,;5.77,-3.42,;8.43,-3.41,;8.84,-4.9,;10.32,-4.49,;9.92,-3.01,;11.66,-5.26,;10.89,-6.6,;12.43,-3.93,;12.99,-6.03,;1.68,2.31,;.53,1.29,)|
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US Patent




US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324524
PNG
(2-[4-[[8-[8-(4- chlorophenyl)sulfonyl-3,8- diazabi...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2ccc(Cl)cc2)cn1
PDB

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Genentech, Inc.

US Patent




US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324545
PNG
(2-[4-[[8-[8-(4- chlorophenyl)-3,8- diazabicyclo[3....)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3c2ccc(Cl)cc2)cn1
PDB

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US Patent




US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324559
PNG
(1-(4-methylpiperazin-1- yl)-2-[4-[[8-[9-[3- (trifl...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCCC(C2)N3C(=O)N2CC(C2)C(F)(F)F)cn1
PDB

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US Patent




US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324578
PNG
(2-[4-[[8-[8-[3-hydroxy-3- (trifluoromethyl)azetidi...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(O)(C2)C(F)(F)F)cn1
PDB

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US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324584
PNG
(2-[[3-[2-[[1-[2-(4- methylpiperazin-1-yl)-2- oxo-e...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2ccccc2C#N)cn1
PDB

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US Patent




US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324634
PNG
(1-[4-(2- methylsulfanylethyl)- piperazin-1-yl]-2-[...)
Show SMILES CSCCN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)C2CC(C2)C(F)(F)F)cn1 |(-12.99,1.1,;-11.75,.19,;-10.34,.81,;-9.1,-.11,;-7.69,.51,;-6.45,-.4,;-5.04,.21,;-4.87,1.74,;-6.11,2.66,;-7.52,2.04,;-3.45,2.36,;-3.28,3.89,;-2.21,1.45,;-.8,2.07,;-.47,3.57,;1.06,3.72,;1.84,5.05,;3.38,5.05,;4.29,3.81,;5.75,4.28,;7.08,3.52,;8.42,4.29,;8.41,5.83,;7.08,6.6,;5.75,5.82,;4.28,6.3,;7.09,1.98,;5.76,1.2,;5.76,-.34,;6.37,.51,;7.82,.52,;8.43,-.33,;8.42,1.21,;7.09,-1.1,;7.1,-2.64,;5.77,-3.42,;8.43,-3.41,;8.84,-4.9,;10.32,-4.49,;9.92,-3.01,;11.66,-5.26,;10.89,-6.6,;12.43,-3.93,;12.99,-6.03,;1.68,2.31,;.53,1.29,)|
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US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324466
PNG
(1-(4-tetrahydropyran-4- ylpiperazin-1-yl)-2-[4-[[8...)
Show SMILES FC(F)(F)C1CN(C1)C(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(CC4)C4CCOCC4)c3)nc12
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Genentech, Inc.

US Patent




US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324584
PNG
(2-[[3-[2-[[1-[2-(4- methylpiperazin-1-yl)-2- oxo-e...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2ccccc2C#N)cn1
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US Patent




US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324515
PNG
(1-(4-methylpiperazin-1- yl)-2-[4-[[8-[(1S,5R)-8-(3...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2C[C@@H]3CC[C@H](C2)[C@@H]3OCc2cccnc2)cn1 |r|
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Genentech, Inc.

US Patent




US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324594
PNG
(1-(4-methylpiperazin-1- yl)-2-[4-[[8-[8-(thiophene...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)c2ccsc2)cn1
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Genentech, Inc.

US Patent




US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324602
PNG
(2-[4-[[8-[8-[(3- chlorophenyl)methylsulfonyl]- 3,8...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)Cc2cccc(Cl)c2)cn1
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US Patent




US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324620
PNG
(2-[[3-[2-[[1-[2-(4- methylpiperazin-1-yl)-2- oxo-e...)
Show SMILES CCS(=O)(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(C)CC4)c3)nc12
PDB

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Genentech, Inc.

US Patent




US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324631
PNG
(1-[4-(oxetan-3- yl)piperazin-1-yl]-2-[4- [[8-[8-[3...)
Show SMILES FC(F)(F)C1CN(C1)C(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(CC4)C4COC4)c3)nc12
PDB

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US Patent




US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324632
PNG
(1-(4-methylpiperazin-1- yl)-2-[4-[[8-[rac-(1S,5R)-...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2C[C@@H]3CC[C@H](C2)[C@@H]3OCc2cccc(CO)c2)cn1 |r|
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US Patent




US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324429
PNG
(1-(4-methylpiperazin-1- yl)-2-[4-[[8-[8-[3- (trifl...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(C2)C(F)(F)F)cn1
PDB

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US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324525
PNG
(1-[4-(thietan-3- yl)piperazin-1-yl]-2-[4- [[8-[8-[...)
Show SMILES FC(F)(F)C1CN(C1)C(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(CC4)C4CSC4)c3)nc12
PDB

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US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324527
PNG
(1-(4-methylpiperazin-1- yl)-2-[4-[[8-[9-(thietane-...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCCC(C2)N3C(=O)C2CSC2)cn1
PDB

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US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324539
PNG
(1-(4-methylpiperazin-1- yl)-2-[4-[[8-[8-(4- methyl...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(C)CC4)c3)nc12
PDB

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US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324559
PNG
(1-(4-methylpiperazin-1- yl)-2-[4-[[8-[9-[3- (trifl...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCCC(C2)N3C(=O)N2CC(C2)C(F)(F)F)cn1
PDB

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US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324562
PNG
(1-(4-methylpiperazin-1- yl)-2-[4-[[8-[8-(3- (trifl...)
Show SMILES CC(C(=O)N1CCN(C)CC1)n1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)C2CC(C2)C(F)(F)F)cn1 |(-1.55,-1.23,;-2.96,-.61,;-4.19,-1.55,;-4,-3.07,;-5.61,-.95,;-5.81,.58,;-7.23,1.17,;-8.45,.24,;-9.87,.83,;-8.26,-1.29,;-6.84,-1.88,;-3.12,.92,;-1.96,1.94,;-2.58,3.35,;-1.8,4.68,;-.26,4.68,;.64,3.44,;2.11,3.92,;3.44,3.15,;4.78,3.92,;4.77,5.46,;3.44,6.23,;2.11,5.46,;.64,5.93,;3.45,1.61,;2.12,.84,;2.12,-.7,;2.89,.63,;4.02,.63,;4.79,-.7,;4.78,.84,;3.45,-1.47,;3.46,-3.01,;2.13,-3.79,;4.79,-3.78,;5.56,-5.11,;6.9,-4.34,;6.13,-3.01,;8.38,-4.74,;9.47,-3.65,;8.78,-6.23,;9.87,-5.14,;-4.11,3.2,;-4.44,1.7,)|
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US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324565
PNG
(4-[[(1S,5R)-3-[2-[[1-[2-(4- methylpiperazin-1-yl)-...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2C[C@@H]3CC[C@H](C2)[C@@H]3OCc2ccc(cc2)C#N)cn1 |r|
PDB

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US Patent




US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324569
PNG
(1-(4-methylpiperazin-1- yl)-2-[4-[[8-[8-(2- methyl...)
Show SMILES CSc1ccccc1S(=O)(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(C)CC4)c3)nc12
PDB

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US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324569
PNG
(1-(4-methylpiperazin-1- yl)-2-[4-[[8-[8-(2- methyl...)
Show SMILES CSc1ccccc1S(=O)(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(C)CC4)c3)nc12
PDB

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US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324571
PNG
(2-[4-[[8-[8-(4- fluorophenyl)sulfonyl-3,8- diazabi...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2ccc(F)cc2)cn1
PDB

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US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324572
PNG
(1-(4-methylpiperazin-1- yl)-2-[4-[[8-[8-(4- (trifl...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3S(=O)(=O)c2ccc(cc2)C(F)(F)F)cn1
PDB

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US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324577
PNG
(2-[3-[2-[[1-[2-(4- methylpiperazin-1-yl)-2- oxo-et...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)c2ccccc2C#N)cn1
PDB

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US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324513
PNG
(1-[4-(thietan-3- yl)piperazin-1-yl]-2-[4-[4 [[8-[8...)
Show SMILES FC(F)(F)[C@@H]1C[C@@H](C1)C(=O)N1C2CCC1CN(C2)c1cccn2nc(Nc3cnn(CC(=O)N4CCN(CC4)C4CSC4)c3)nc12 |r,wU:6.8,4.3,(12.15,-6.04,;10.81,-5.27,;10.04,-6.6,;11.58,-3.93,;9.48,-4.5,;9.08,-3.01,;7.59,-3.41,;7.99,-4.9,;6.26,-2.64,;4.93,-3.41,;6.26,-1.1,;4.93,-.33,;5.53,.52,;6.99,.52,;7.59,-.33,;7.59,1.21,;6.26,1.98,;4.93,1.21,;6.26,3.52,;7.59,4.29,;7.59,5.83,;6.25,6.6,;4.92,5.83,;3.46,6.3,;2.55,5.05,;1.01,5.05,;.24,3.72,;.87,2.31,;-.27,1.28,;-1.61,2.05,;-3.07,1.58,;-4.22,2.61,;-3.9,4.11,;-5.68,2.13,;-6.83,3.16,;-8.29,2.69,;-8.61,1.18,;-7.47,.15,;-6,.62,;-10.08,.7,;-11.45,1.4,;-12.15,.03,;-10.78,-.67,;-1.29,3.56,;3.46,3.81,;4.92,4.29,)|
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US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324486
PNG
(1-(4-ethylpiperazin-1-yl)- 2-[4-[[8-[8-[3- (triflu...)
Show SMILES CCN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(C2)C(F)(F)F)cn1
PDB

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US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324591
PNG
(4,4,4-trifluoro-3-hydroxy- 1-[3-[2-[[1-[2-(4- meth...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)CC(O)C(F)(F)F)cn1
PDB

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US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324610
PNG
(2-[4-[[8-[8-(3,3- difluoroazetidine-1- carbonyl)-3...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(F)(F)C2)cn1
PDB

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US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM324610
PNG
(2-[4-[[8-[8-(3,3- difluoroazetidine-1- carbonyl)-3...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)N2CC(F)(F)C2)cn1
PDB

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US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM324622
PNG
(4-[3-[2-[[1-[2-(4- methylpiperazin-1-yl)-2- oxo-et...)
Show SMILES CN1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CC3CCC(C2)N3C(=O)c2ccc(cc2)C#N)cn1
PDB

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US Patent US10189836 (2019)


BindingDB Entry DOI: 10.7270/Q2G162XH
More data for this
Ligand-Target Pair
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