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PubChem AID 1699

Compile data set for download or QSAR
Found 108 hits of Enzyme Inhibition Constant Data   
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))
BDBM43362
PNG
(MLS000069752 | N,N-dimethylcarbamodithioic acid (d...)
Show SMILES CN(C)C(=S)SSC(=S)N(C)C
Show InChI InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3
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n/an/a 223n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47448
PNG
(2-chloranyl-N-[3-[(2,4-dichlorophenyl)methyl]-1,3-...)
Show SMILES ClCC(=O)N=c1sccn1Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C12H9Cl3N2OS/c13-6-11(18)16-12-17(3-4-19-12)7-8-1-2-9(14)5-10(8)15/h1-5H,6-7H2
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n/an/a 653n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47452
PNG
(2-chloranyl-N-[3-(naphthalen-1-ylmethyl)-1,3-thiaz...)
Show SMILES ClCC(=O)N=c1sccn1Cc1cccc2ccccc12
Show InChI InChI=1S/C16H13ClN2OS/c17-10-15(20)18-16-19(8-9-21-16)11-13-6-3-5-12-4-1-2-7-14(12)13/h1-9H,10-11H2
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n/an/a 1.04E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM46587
PNG
(6-(chloromethyl)-2-N-naphthalen-2-yl-1,3,5-triazin...)
Show SMILES Nc1nc(CCl)nc(Nc2ccc3ccccc3c2)n1
Show InChI InChI=1S/C14H12ClN5/c15-8-12-18-13(16)20-14(19-12)17-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H3,16,17,18,19,20)
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n/an/a 1.08E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47455
PNG
(2-chloranyl-N-[3-[(2-chlorophenyl)methyl]-1,3-thia...)
Show SMILES ClCC(=O)N=c1sccn1Cc1ccccc1Cl
Show InChI InChI=1S/C12H10Cl2N2OS/c13-7-11(17)15-12-16(5-6-18-12)8-9-3-1-2-4-10(9)14/h1-6H,7-8H2
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n/an/a 1.11E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM41608
PNG
((4,5-dichloro-6-oxopyridazin-1-yl)methyl 4-fluorob...)
Show SMILES Fc1ccc(cc1)C(=O)OCn1ncc(Cl)c(Cl)c1=O
Show InChI InChI=1S/C12H7Cl2FN2O3/c13-9-5-16-17(11(18)10(9)14)6-20-12(19)7-1-3-8(15)4-2-7/h1-5H,6H2
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n/an/a 1.14E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM41607
PNG
((4,5-dichloro-6-oxopyridazin-1-yl)methyl 2-chlorob...)
Show SMILES Clc1ccccc1C(=O)OCn1ncc(Cl)c(Cl)c1=O
Show InChI InChI=1S/C12H7Cl3N2O3/c13-8-4-2-1-3-7(8)12(19)20-6-17-11(18)10(15)9(14)5-16-17/h1-5H,6H2
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n/an/a 1.20E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47472
PNG
(6-(chloromethyl)-2-N,2-N-diphenyl-1,3,5-triazine-2...)
Show SMILES Nc1nc(CCl)nc(n1)N(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H14ClN5/c17-11-14-19-15(18)21-16(20-14)22(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H2,18,19,20,21)
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n/an/a 1.26E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47419
PNG
(2-(N-(2-chloro-1-oxoethyl)-3-methoxyanilino)-N-(2-...)
Show SMILES COc1cccc(c1)N(C(C(=O)NCCc1ccccc1)c1cccs1)C(=O)CCl
Show InChI InChI=1S/C23H23ClN2O3S/c1-29-19-10-5-9-18(15-19)26(21(27)16-24)22(20-11-6-14-30-20)23(28)25-13-12-17-7-3-2-4-8-17/h2-11,14-15,22H,12-13,16H2,1H3,(H,25,28)
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n/an/a 1.34E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47464
PNG
(6-(chloromethyl)-2-N-(4-methylphenyl)-1,3,5-triazi...)
Show SMILES Cc1ccc(Nc2nc(N)nc(CCl)n2)cc1
Show InChI InChI=1S/C11H12ClN5/c1-7-2-4-8(5-3-7)14-11-16-9(6-12)15-10(13)17-11/h2-5H,6H2,1H3,(H3,13,14,15,16,17)
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n/an/a 1.42E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM43474
PNG
((3Z,5E)-1-ethyl-3,5-bis(3-hydroxy-4-methoxy-benzyl...)
Show SMILES CCN1C\C(=C\c2ccc(OC)c(O)c2)C(=O)\C(C1)=C\c1ccc(OC)c(O)c1
Show InChI InChI=1S/C23H25NO5/c1-4-24-13-17(9-15-5-7-21(28-2)19(25)11-15)23(27)18(14-24)10-16-6-8-22(29-3)20(26)12-16/h5-12,25-26H,4,13-14H2,1-3H3/b17-9-,18-10+
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n/an/a 1.50E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47454
PNG
(2-chloranyl-N-(3-methylphenyl)-N-(phenylmethyl)eth...)
Show SMILES Cc1cccc(c1)N(Cc1ccccc1)C(=O)CCl
Show InChI InChI=1S/C16H16ClNO/c1-13-6-5-9-15(10-13)18(16(19)11-17)12-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
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n/an/a 1.63E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47424
PNG
(4-[[[(Z)-2-hydroxy-1,2-diphenyl-vinyl]hydrazono]me...)
Show SMILES Oc1ccc(C=NN=C(C(=O)c2ccccc2)c2ccccc2)cc1O
Show InChI InChI=1S/C21H16N2O3/c24-18-12-11-15(13-19(18)25)14-22-23-20(16-7-3-1-4-8-16)21(26)17-9-5-2-6-10-17/h1-14,24-25H
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n/an/a 1.67E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM36928
PNG
(MLS000083238 | N-[(1S)-3-methyl-1-[5-(2-methylbenz...)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1ccccc1C
Show InChI InChI=1S/C20H29N3O5S/c1-13(2)11-16(21-18(24)28-20(4,5)6)17-22-23-19(27-17)29(25,26)12-15-10-8-7-9-14(15)3/h7-10,13,16H,11-12H2,1-6H3,(H,21,24)/t16-/m0/s1
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n/an/a 1.68E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM34637
PNG
((4-methoxyphenyl)-(1-oxidospiro[benzimidazol-1-ium...)
Show SMILES COc1ccc(Nc2ccc3=[N+]([O-])C4(CCCCC4)N=c3c2)cc1
Show InChI InChI=1S/C19H21N3O2/c1-24-16-8-5-14(6-9-16)20-15-7-10-18-17(13-15)21-19(22(18)23)11-3-2-4-12-19/h5-10,13,20H,2-4,11-12H2,1H3
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n/an/a 1.71E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47443
PNG
(1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]am...)
Show SMILES FC(F)(F)c1cnc(NCCN2C(=O)C=CC2=O)c(Cl)c1
Show InChI InChI=1S/C12H9ClF3N3O2/c13-8-5-7(12(14,15)16)6-18-11(8)17-3-4-19-9(20)1-2-10(19)21/h1-2,5-6H,3-4H2,(H,17,18)
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n/an/a 1.76E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47471
PNG
(6-(chloromethyl)-2-N-(4-ethoxyphenyl)-1,3,5-triazi...)
Show SMILES CCOc1ccc(Nc2nc(N)nc(CCl)n2)cc1
Show InChI InChI=1S/C12H14ClN5O/c1-2-19-9-5-3-8(4-6-9)15-12-17-10(7-13)16-11(14)18-12/h3-6H,2,7H2,1H3,(H3,14,15,16,17,18)
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n/an/a 1.92E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47428
PNG
(3-(4-methoxyphenyl)-1-pyrindan-7,7-dicarbonitrile ...)
Show SMILES COc1ccc(cc1)-c1cnc2c(CCC2(C#N)C#N)c1
Show InChI InChI=1S/C17H13N3O/c1-21-15-4-2-12(3-5-15)14-8-13-6-7-17(10-18,11-19)16(13)20-9-14/h2-5,8-9H,6-7H2,1H3
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n/an/a 2.07E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47476
PNG
(6-(chloromethyl)-2-N-(2,3-dimethylphenyl)-1,3,5-tr...)
Show SMILES Cc1cccc(Nc2nc(N)nc(CCl)n2)c1C
Show InChI InChI=1S/C12H14ClN5/c1-7-4-3-5-9(8(7)2)15-12-17-10(6-13)16-11(14)18-12/h3-5H,6H2,1-2H3,(H3,14,15,16,17,18)
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n/an/a 2.07E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47459
PNG
(2-chloranyl-N-hexyl-N-phenyl-ethanamide | 2-chloro...)
Show SMILES CCCCCCN(C(=O)CCl)c1ccccc1
Show InChI InChI=1S/C14H20ClNO/c1-2-3-4-8-11-16(14(17)12-15)13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3
PDB

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n/an/a 2.11E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47442
PNG
(5-(4-chlorophenyl)sulfinyl-N-methyl-1,2,3-thiadiaz...)
Show SMILES CNC(=O)c1nnsc1S(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C10H8ClN3O2S2/c1-12-9(15)8-10(17-14-13-8)18(16)7-4-2-6(11)3-5-7/h2-5H,1H3,(H,12,15)
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n/an/a 2.26E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM31064
PNG
(4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1
Show InChI InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3
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n/an/a 2.28E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47407
PNG
(1-(4-Ethoxy-phenyl)-3-morpholin-4-yl-2-phenyl-prop...)
Show SMILES CCOc1ccc(cc1)C(=O)C(CN1CCOCC1)c1ccccc1
Show InChI InChI=1S/C21H25NO3/c1-2-25-19-10-8-18(9-11-19)21(23)20(17-6-4-3-5-7-17)16-22-12-14-24-15-13-22/h3-11,20H,2,12-16H2,1H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47404
PNG
(3-(4-morpholinyl)-2-phenyl-1-(4-propoxyphenyl)-1-p...)
Show SMILES CCCOc1ccc(cc1)C(=O)C(CN1CCOCC1)c1ccccc1
Show InChI InChI=1S/C22H27NO3/c1-2-14-26-20-10-8-19(9-11-20)22(24)21(18-6-4-3-5-7-18)17-23-12-15-25-16-13-23/h3-11,21H,2,12-17H2,1H3
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n/an/a 2.46E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47449
PNG
(2-chloranyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N...)
Show SMILES ClCC(=O)N(C\C=C\c1ccccc1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C19H18ClNO3/c20-14-19(22)21(10-4-7-15-5-2-1-3-6-15)16-8-9-17-18(13-16)24-12-11-23-17/h1-9,13H,10-12,14H2/b7-4+
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n/an/a 2.51E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47465
PNG
(6-(chloromethyl)-2-N-(4-methoxyphenyl)-1,3,5-triaz...)
Show SMILES COc1ccc(Nc2nc(N)nc(CCl)n2)cc1
Show InChI InChI=1S/C11H12ClN5O/c1-18-8-4-2-7(3-5-8)14-11-16-9(6-12)15-10(13)17-11/h2-5H,6H2,1H3,(H3,13,14,15,16,17)
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n/an/a 2.66E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47398
PNG
(3,5-bis(prop-2-ynylsulfanyl)-1,2-thiazole-4-carbon...)
Show SMILES C#CCSc1nsc(SCC#C)c1C#N
Show InChI InChI=1S/C10H6N2S3/c1-3-5-13-9-8(7-11)10(15-12-9)14-6-4-2/h1-2H,5-6H2
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n/an/a 2.83E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM31061
PNG
(4-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylthieno[...)
Show SMILES Clc1ccc(cc1)-n1nnnc1Sc1ncnc2sccc12
Show InChI InChI=1S/C13H7ClN6S2/c14-8-1-3-9(4-2-8)20-13(17-18-19-20)22-12-10-5-6-21-11(10)15-7-16-12/h1-7H
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n/an/a 2.91E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47401
PNG
(2-methyl-7,8-bis(oxidanyl)-3-(1-phenylpyrazol-4-yl...)
Show SMILES Cc1oc2c(O)c(O)ccc2c(=O)c1-c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C19H14N2O4/c1-11-16(12-9-20-21(10-12)13-5-3-2-4-6-13)17(23)14-7-8-15(22)18(24)19(14)25-11/h2-10,22,24H,1H3
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n/an/a 2.97E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47468
PNG
(MLS000769840 | N-(2-phenylethyl)-2-(2-pyridinyl)-4...)
Show SMILES C(Cc1ccccc1)Nc1nc(nc2ccccc12)-c1ccccn1
Show InChI InChI=1S/C21H18N4/c1-2-8-16(9-3-1)13-15-23-20-17-10-4-5-11-18(17)24-21(25-20)19-12-6-7-14-22-19/h1-12,14H,13,15H2,(H,23,24,25)
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n/an/a 3.02E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47435
PNG
(2-methyl-3-[(E)-1-oxo-3-phenylprop-2-enyl]-1H-quin...)
Show SMILES Cc1nc2ccccc2c(O)c1C(=O)C=Cc1ccccc1
Show InChI InChI=1S/C19H15NO2/c1-13-18(17(21)12-11-14-7-3-2-4-8-14)19(22)15-9-5-6-10-16(15)20-13/h2-12H,1H3,(H,20,22)
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n/an/a 3.13E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47478
PNG
(2-(4-chlorophenyl)sulfonyl-6-methoxy-3-nitro-pyrid...)
Show SMILES COc1ccc(c(n1)S(=O)(=O)c1ccc(Cl)cc1)[N+]([O-])=O
Show InChI InChI=1S/C12H9ClN2O5S/c1-20-11-7-6-10(15(16)17)12(14-11)21(18,19)9-4-2-8(13)3-5-9/h2-7H,1H3
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n/an/a 3.26E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47439
PNG
((2,6-dimethyl-4-quinolyl)-(4-nitrophenyl)amine | 2...)
Show SMILES Cc1ccc2nc(C)cc(Nc3ccc(cc3)[N+]([O-])=O)c2c1
Show InChI InChI=1S/C17H15N3O2/c1-11-3-8-16-15(9-11)17(10-12(2)18-16)19-13-4-6-14(7-5-13)20(21)22/h3-10H,1-2H3,(H,18,19)
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n/an/a 3.31E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50237956
PNG
(1-(3,4-dihydroxyphenyl)-2-(1-(4-methoxyphenyl)-1H-...)
Show SMILES COc1ccc(cc1)-n1nnnc1SCC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H14N4O4S/c1-24-12-5-3-11(4-6-12)20-16(17-18-19-20)25-9-15(23)10-2-7-13(21)14(22)8-10/h2-8,21-22H,9H2,1H3
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n/an/a 3.34E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47441
PNG
(2-[[2-[2-[(4-fluorobenzyl)amino]-2-keto-ethyl]-1-k...)
Show SMILES COC(=O)COc1cccc2c1ccn(CC(=O)NCc1ccc(F)cc1)c2=O
Show InChI InChI=1S/C21H19FN2O5/c1-28-20(26)13-29-18-4-2-3-17-16(18)9-10-24(21(17)27)12-19(25)23-11-14-5-7-15(22)8-6-14/h2-10H,11-13H2,1H3,(H,23,25)
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n/an/a 3.34E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47417
PNG
(MLS000575611 | N,N-dimethyl-4-(2-nitro-1-propen-1-...)
Show SMILES CN(C)c1ccc(\C=C(/C)[N+]([O-])=O)cc1
Show InChI InChI=1S/C11H14N2O2/c1-9(13(14)15)8-10-4-6-11(7-5-10)12(2)3/h4-8H,1-3H3/b9-8+
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n/an/a 3.50E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47433
PNG
(4-chloranyl-N-[3-(3-methylpiperidin-1-yl)propyl]th...)
Show SMILES CC1CCCN(CCCNC(=O)c2cc3c(Cl)nc4ccccc4c3s2)C1
Show InChI InChI=1S/C21H24ClN3OS/c1-14-6-4-10-25(13-14)11-5-9-23-21(26)18-12-16-19(27-18)15-7-2-3-8-17(15)24-20(16)22/h2-3,7-8,12,14H,4-6,9-11,13H2,1H3,(H,23,26)
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n/an/a 3.50E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47409
PNG
(6-amino-3-(2-naphthalenyl)-4-propan-2-yl-2,4-dihyd...)
Show SMILES CC(C)C1C(C#N)C(=N)Oc2[nH]nc(c12)-c1ccc2ccccc2c1
Show InChI InChI=1S/C20H18N4O/c1-11(2)16-15(10-21)19(22)25-20-17(16)18(23-24-20)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,15-16,22H,1-2H3,(H,23,24)
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n/an/a 3.57E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47481
PNG
((3E,5E)-3,5-bis[(3-methoxy-4-oxidanyl-phenyl)methy...)
Show SMILES COc1cc(\C=C2/COC\C(=C/c3ccc(O)c(OC)c3)C2=O)ccc1O
Show InChI InChI=1S/C21H20O6/c1-25-19-9-13(3-5-17(19)22)7-15-11-27-12-16(21(15)24)8-14-4-6-18(23)20(10-14)26-2/h3-10,22-23H,11-12H2,1-2H3/b15-7+,16-8+
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n/an/a 3.62E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM32041
PNG
(3-[[(Z)-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-yli...)
Show SMILES CCCc1nc2ccccc2c(=O)n1N=Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H17N3O3/c1-2-5-17-20-14-7-4-3-6-13(14)18(24)21(17)19-11-12-8-9-15(22)16(23)10-12/h3-4,6-11,22-23H,2,5H2,1H3
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n/an/a 3.62E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47412
PNG
(MLS000558489 | N-[(1S)-1-[5-(3-methylbenzyl)sulfon...)
Show SMILES Cc1cccc(CS(=O)(=O)c2nnc(o2)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1
Show InChI InChI=1S/C23H27N3O5S/c1-16-9-8-12-18(13-16)15-32(28,29)22-26-25-20(30-22)19(14-17-10-6-5-7-11-17)24-21(27)31-23(2,3)4/h5-13,19H,14-15H2,1-4H3,(H,24,27)/t19-/m0/s1
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n/an/a 3.64E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47408
PNG
(2-(5-bromanyl-2-methyl-4-nitro-imidazol-1-yl)-1-na...)
Show SMILES Cc1nc(c(Br)n1CC(=O)c1ccc2ccccc2c1)[N+]([O-])=O
Show InChI InChI=1S/C16H12BrN3O3/c1-10-18-16(20(22)23)15(17)19(10)9-14(21)13-7-6-11-4-2-3-5-12(11)8-13/h2-8H,9H2,1H3
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n/an/a 3.68E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47445
PNG
(5-nitro-N-[3-(2-thenoylamino)phenyl]-2-furamide | ...)
Show SMILES [O-][N+](=O)c1ccc(o1)C(=O)Nc1cccc(NC(=O)c2cccs2)c1
Show InChI InChI=1S/C16H11N3O5S/c20-15(12-6-7-14(24-12)19(22)23)17-10-3-1-4-11(9-10)18-16(21)13-5-2-8-25-13/h1-9H,(H,17,20)(H,18,21)
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n/an/a 3.70E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM36948
PNG
(MLS000041934 | N-[(1S)-1-[5-(3-fluorobenzyl)sulfon...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(o1)S(=O)(=O)Cc1cccc(F)c1
Show InChI InChI=1S/C22H24FN3O5S/c1-22(2,3)31-20(27)24-18(13-15-8-5-4-6-9-15)19-25-26-21(30-19)32(28,29)14-16-10-7-11-17(23)12-16/h4-12,18H,13-14H2,1-3H3,(H,24,27)/t18-/m0/s1
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n/an/a 3.74E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47450
PNG
(MLS001033606 | N-(5-tert-butyl-2-phenyl-3-pyrazoly...)
Show SMILES CC(C)(C)c1cc(NC(=O)CCl)n(n1)-c1ccccc1
Show InChI InChI=1S/C15H18ClN3O/c1-15(2,3)12-9-13(17-14(20)10-16)19(18-12)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H,17,20)
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n/an/a 3.76E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47432
PNG
(5,8,9-trimethyl-11H-indolo[3,2-c]quinolin-5-ium;io...)
Show SMILES Cc1cc2[nH+]c3c(cn(C)c4ccccc34)c2cc1C
Show InChI InChI=1S/C18H16N2/c1-11-8-14-15-10-20(3)17-7-5-4-6-13(17)18(15)19-16(14)9-12(11)2/h4-10H,1-3H3/p+1
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n/an/a 3.85E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47479
PNG
(6-amino-5-[1-(2-fluoro-6-methoxy-phenyl)-2-nitro-e...)
Show SMILES COc1cccc(F)c1C(C[N+]([O-])=O)c1c(N)n(C)c(=O)n(C)c1=O
Show InChI InChI=1S/C15H17FN4O5/c1-18-13(17)12(14(21)19(2)15(18)22)8(7-20(23)24)11-9(16)5-4-6-10(11)25-3/h4-6,8H,7,17H2,1-3H3
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n/an/a 4.22E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47466
PNG
((2-Methyl-3-phenyl-6,7-dihydro-5H-cyclopenta[d]pyr...)
Show SMILES Cc1nn2c(NCc3ccccn3)c3CCCc3nc2c1-c1ccccc1
Show InChI InChI=1S/C22H21N5/c1-15-20(16-8-3-2-4-9-16)22-25-19-12-7-11-18(19)21(27(22)26-15)24-14-17-10-5-6-13-23-17/h2-6,8-10,13,24H,7,11-12,14H2,1H3
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n/an/a 4.28E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47444
PNG
(1-(5-bromo-2-thienyl)-2-(3-butyl-2-imino-benzimida...)
Show SMILES CCCCn1c2ccccc2n(CC(=O)c2ccc(Br)s2)c1=N
Show InChI InChI=1S/C17H18BrN3OS/c1-2-3-10-20-12-6-4-5-7-13(12)21(17(20)19)11-14(22)15-8-9-16(18)23-15/h4-9,19H,2-3,10-11H2,1H3
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n/an/a 4.37E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47421
PNG
(MLS000374912 | N-(1-adamantylcarbamoyl)-2-chlorany...)
Show SMILES ClCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C13H19ClN2O2/c14-7-11(17)15-12(18)16-13-4-8-1-9(5-13)3-10(2-8)6-13/h8-10H,1-7H2,(H2,15,16,17,18)
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n/an/a 4.37E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47431
PNG
(4-chloranyl-N-[3-(4-methylpiperidin-1-yl)propyl]th...)
Show SMILES CC1CCN(CCCNC(=O)c2cc3c(Cl)nc4ccccc4c3s2)CC1
Show InChI InChI=1S/C21H24ClN3OS/c1-14-7-11-25(12-8-14)10-4-9-23-21(26)18-13-16-19(27-18)15-5-2-3-6-17(15)24-20(16)22/h2-3,5-6,13-14H,4,7-12H2,1H3,(H,23,26)
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n/an/a 4.39E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47429
PNG
(7-chloranyl-1,3,6-trimethyl-pteridine-2,4-dione | ...)
Show SMILES Cc1nc2c(nc1Cl)n(C)c(=O)n(C)c2=O
Show InChI InChI=1S/C9H9ClN4O2/c1-4-6(10)12-7-5(11-4)8(15)14(3)9(16)13(7)2/h1-3H3
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n/an/a 4.56E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47458
PNG
(2-chloranyl-N-(1-ethanoylindol-3-yl)-N-(2-methoxyp...)
Show SMILES COc1ccccc1N(C(=O)CCl)c1cn(C(C)=O)c2ccccc12
Show InChI InChI=1S/C19H17ClN2O3/c1-13(23)21-12-17(14-7-3-4-8-15(14)21)22(19(24)11-20)16-9-5-6-10-18(16)25-2/h3-10,12H,11H2,1-2H3
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n/an/a 4.61E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM6644
PNG
(6‐phenylpteridine‐2,4,7‐triamine...)
Show SMILES Nc1nc(N)c2nc(c(N)nc2n1)-c1ccccc1
Show InChI InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)
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n/an/a 4.61E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47410
PNG
(2-(2-methoxyphenyl)-5-[(1-methyl-3-nitro-1H-1,2,4-...)
Show SMILES COc1ccccc1-c1nnc(Sc2nc(nn2C)[N+]([O-])=O)o1
Show InChI InChI=1S/C12H10N6O4S/c1-17-11(13-10(16-17)18(19)20)23-12-15-14-9(22-12)7-5-3-4-6-8(7)21-2/h3-6H,1-2H3
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n/an/a 4.65E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM33524
PNG
(MLS000041935 | N-[(1R)-2-methyl-1-[5-(3-methylbenz...)
Show SMILES CCC(C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1cccc(C)c1
Show InChI InChI=1S/C20H29N3O5S/c1-7-14(3)16(21-18(24)28-20(4,5)6)17-22-23-19(27-17)29(25,26)12-15-10-8-9-13(2)11-15/h8-11,14,16H,7,12H2,1-6H3,(H,21,24)/t14?,16-/m1/s1
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n/an/a 4.67E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47457
PNG
(Butyric acid N',N'-dimethyl-N-(2,2,3,3-tet...)
Show SMILES CCCC(=O)N(C1CC(C)C(C#N)(C#N)C1(C#N)C#N)N(C)C
Show InChI InChI=1S/C16H20N6O/c1-5-6-14(23)22(21(3)4)13-7-12(2)15(8-17,9-18)16(13,10-19)11-20/h12-13H,5-7H2,1-4H3
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n/an/a 4.77E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47418
PNG
(4-[(E)-3-(2-fluorophenyl)-1-oxoprop-2-enyl]-1-meth...)
Show SMILES Cc1[nH]c(=O)c(C(=O)\C=C\c2ccccc2F)c2CCCCc12
Show InChI InChI=1S/C19H18FNO2/c1-12-14-7-3-4-8-15(14)18(19(23)21-12)17(22)11-10-13-6-2-5-9-16(13)20/h2,5-6,9-11H,3-4,7-8H2,1H3,(H,21,23)/b11-10+
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n/an/a 5.19E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM34573
PNG
((1-oxidospiro[benzimidazol-1-ium-2,1'-cyclohexane]...)
Show SMILES [O-][N+]1=c2ccc(Nc3ccccc3)cc2=NC11CCCCC1
Show InChI InChI=1S/C18H19N3O/c22-21-17-10-9-15(19-14-7-3-1-4-8-14)13-16(17)20-18(21)11-5-2-6-12-18/h1,3-4,7-10,13,19H,2,5-6,11-12H2
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n/an/a 5.20E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM46981
PNG
(1-(5-Bromo-6-chloro-pyridine-3-sulfonyl)-2,3-dihyd...)
Show SMILES Clc1ncc(cc1Br)S(=O)(=O)N1CCc2ccccc12
Show InChI InChI=1S/C13H10BrClN2O2S/c14-11-7-10(8-16-13(11)15)20(18,19)17-6-5-9-3-1-2-4-12(9)17/h1-4,7-8H,5-6H2
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n/an/a 5.31E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47411
PNG
(MLS000558488 | N-[(1S)-1-[5-(2-methylbenzyl)sulfon...)
Show SMILES Cc1ccccc1CS(=O)(=O)c1nnc(o1)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C23H27N3O5S/c1-16-10-8-9-13-18(16)15-32(28,29)22-26-25-20(30-22)19(14-17-11-6-5-7-12-17)24-21(27)31-23(2,3)4/h5-13,19H,14-15H2,1-4H3,(H,24,27)/t19-/m0/s1
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n/an/a 5.33E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47453
PNG
(4-[3-(2,4-dimethylanilino)-2-[(2,4-dimethylanilino...)
Show SMILES Cc1ccc(NC(=O)C(=Cc2ccc(cc2)C(O)=O)C(=O)Nc2ccc(C)cc2C)c(C)c1
Show InChI InChI=1S/C27H26N2O4/c1-16-5-11-23(18(3)13-16)28-25(30)22(15-20-7-9-21(10-8-20)27(32)33)26(31)29-24-12-6-17(2)14-19(24)4/h5-15H,1-4H3,(H,28,30)(H,29,31)(H,32,33)
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n/an/a 5.46E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47474
PNG
(4-(4-thiophen-2-ylsulfonyl-1-piperazinyl)phenol | ...)
Show SMILES Oc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C14H16N2O3S2/c17-13-5-3-12(4-6-13)15-7-9-16(10-8-15)21(18,19)14-2-1-11-20-14/h1-6,11,17H,7-10H2
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n/an/a 5.66E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47456
PNG
((4Z)-4-[[[4-(9H-fluoren-9-yl)-1-piperazinyl]amino]...)
Show SMILES Oc1ccc(C=NN2CCN(CC2)C2c3ccccc3-c3ccccc23)cc1O
Show InChI InChI=1S/C24H23N3O2/c28-22-10-9-17(15-23(22)29)16-25-27-13-11-26(12-14-27)24-20-7-3-1-5-18(20)19-6-2-4-8-21(19)24/h1-10,15-16,24,28-29H,11-14H2
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n/an/a 5.68E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47415
PNG
(2-ethyl-4-nitro-5-(phenylsulfonyl)-1-propyl-1H-imi...)
Show SMILES CCCn1c(CC)nc(c1S(=O)(=O)c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C14H17N3O4S/c1-3-10-16-12(4-2)15-13(17(18)19)14(16)22(20,21)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
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n/an/a 5.90E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47434
PNG
(4-Chloro-2-{[1-(3-chloro-benzo[b]thiophen-2-yl)-me...)
Show SMILES Oc1ccc(Cl)cc1\N=C\c1sc2ccccc2c1Cl
Show InChI InChI=1S/C15H9Cl2NOS/c16-9-5-6-12(19)11(7-9)18-8-14-15(17)10-3-1-2-4-13(10)20-14/h1-8,19H/b18-8+
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n/an/a 5.94E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM4303
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-(3-phenylpr...)
Show SMILES Oc1ccc(\C=C(/C#N)C(=O)NCCCc2ccccc2)cc1O
Show InChI InChI=1S/C19H18N2O3/c20-13-16(11-15-8-9-17(22)18(23)12-15)19(24)21-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,22-23H,4,7,10H2,(H,21,24)/b16-11+
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n/an/a 6.01E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47480
PNG
(6-amino-5-[1-(2-methoxyphenyl)-2-nitro-ethyl]-1,3-...)
Show SMILES COc1ccccc1C(C[N+]([O-])=O)c1c(N)n(C)c(=O)n(C)c1=O
Show InChI InChI=1S/C15H18N4O5/c1-17-13(16)12(14(20)18(2)15(17)21)10(8-19(22)23)9-6-4-5-7-11(9)24-3/h4-7,10H,8,16H2,1-3H3
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n/an/a 6.49E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47396
PNG
((5-hydroxynaphthalen-1-yl) benzoate | (5-oxidanyln...)
Show SMILES Oc1cccc2c(OC(=O)c3ccccc3)cccc12
Show InChI InChI=1S/C17H12O3/c18-15-10-4-9-14-13(15)8-5-11-16(14)20-17(19)12-6-2-1-3-7-12/h1-11,18H
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n/an/a 6.51E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47461
PNG
((E)-3-(5-Chloro-1-methyl-1H-imidazol-2-yl)-1-(2-hy...)
Show SMILES Cn1c(Cl)cnc1\C=C\C(=O)c1ccccc1O
Show InChI InChI=1S/C13H11ClN2O2/c1-16-12(14)8-15-13(16)7-6-11(18)9-4-2-3-5-10(9)17/h2-8,17H,1H3/b7-6+
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n/an/a 6.56E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM32829
PNG
(2-N',4-N'-bis[(E)-(5-methoxy-6-oxocyclohexa-2,4-di...)
Show SMILES COc1cccc(C=NNC(=O)c2[nH]c(C)c(C(=O)NN=Cc3cccc(OC)c3O)c2C)c1O
Show InChI InChI=1S/C24H25N5O6/c1-13-19(23(32)28-25-11-15-7-5-9-17(34-3)21(15)30)14(2)27-20(13)24(33)29-26-12-16-8-6-10-18(35-4)22(16)31/h5-12,27,30-31H,1-4H3,(H,28,32)(H,29,33)
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n/an/a 6.66E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47402
PNG
(2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ncc(=O)[nH]c1=O
Show InChI InChI=1S/C8H11N3O6/c12-2-3-5(14)6(15)7(17-3)11-8(16)10-4(13)1-9-11/h1,3,5-7,12,14-15H,2H2,(H,10,13,16)/t3-,5-,6-,7-/m1/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47470
PNG
(5-fluoranyl-2,4-bis(oxidanylidene)-1H-pyrimidine-6...)
Show SMILES OC(=O)c1[nH]c(=O)[nH]c(=O)c1F
Show InChI InChI=1S/C5H3FN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)
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n/an/a 6.87E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47438
PNG
(MLS000712620 | N-(3-methylphenyl)-5-nitro-2-furanc...)
Show SMILES Cc1cccc(NC(=O)c2ccc(o2)[N+]([O-])=O)c1
Show InChI InChI=1S/C12H10N2O4/c1-8-3-2-4-9(7-8)13-12(15)10-5-6-11(18-10)14(16)17/h2-7H,1H3,(H,13,15)
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n/an/a 6.88E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47467
PNG
(2-(6-methoxy-2-methyl-quinolin-4-yl)sulfanyl-1,3-b...)
Show SMILES COc1ccc2nc(C)cc(Sc3nc4ccccc4s3)c2c1
Show InChI InChI=1S/C18H14N2OS2/c1-11-9-17(13-10-12(21-2)7-8-14(13)19-11)23-18-20-15-5-3-4-6-16(15)22-18/h3-10H,1-2H3
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n/an/a 6.96E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47460
PNG
(2-[2-[2-[2-(2-hydroxyphenoxy)ethoxy]phenoxy]ethoxy...)
Show SMILES Oc1ccccc1OCCOc1ccccc1OCCOc1ccccc1O
Show InChI InChI=1S/C22H22O6/c23-17-7-1-3-9-19(17)25-13-15-27-21-11-5-6-12-22(21)28-16-14-26-20-10-4-2-8-18(20)24/h1-12,23-24H,13-16H2
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n/an/a 7.12E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47422
PNG
(2-chloranyl-N-[4-(2,5-dimethylphenyl)sulfanylpheny...)
Show SMILES Cc1ccc(C)c(Sc2ccc(NC(=O)CCl)cc2)c1
Show InChI InChI=1S/C16H16ClNOS/c1-11-3-4-12(2)15(9-11)20-14-7-5-13(6-8-14)18-16(19)10-17/h3-9H,10H2,1-2H3,(H,18,19)
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n/an/a 7.26E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47426
PNG
((E)-1-[4-(1-azepanylsulfonyl)phenyl]-3-(3,4-dihydr...)
Show SMILES Oc1ccc(\C=C\C(=O)c2ccc(cc2)S(=O)(=O)N2CCCCCC2)cc1O
Show InChI InChI=1S/C21H23NO5S/c23-19(11-5-16-6-12-20(24)21(25)15-16)17-7-9-18(10-8-17)28(26,27)22-13-3-1-2-4-14-22/h5-12,15,24-25H,1-4,13-14H2/b11-5+
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n/an/a 7.51E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47413
PNG
(3-Cyclohexyl-6-(3,4-dimethoxy-phenyl)-7H-[1,2,4]tr...)
Show SMILES COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2C1CCCCC1
Show InChI InChI=1S/C18H22N4O2S/c1-23-15-9-8-13(10-16(15)24-2)14-11-25-18-20-19-17(22(18)21-14)12-6-4-3-5-7-12/h8-10,12H,3-7,11H2,1-2H3
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n/an/a 7.52E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47462
PNG
(2-(4-Hydroxy-phenylamino)-[1,4]naphthoquinone | 2-...)
Show SMILES Oc1ccc(NC2=CC(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C16H11NO3/c18-11-7-5-10(6-8-11)17-14-9-15(19)12-3-1-2-4-13(12)16(14)20/h1-9,17-18H
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n/an/a 7.53E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47447
PNG
(2-chloranyl-N-[3-[(4-methylphenyl)methyl]-1,3-thia...)
Show SMILES Cc1ccc(Cn2ccsc2=NC(=O)CCl)cc1
Show InChI InChI=1S/C13H13ClN2OS/c1-10-2-4-11(5-3-10)9-16-6-7-18-13(16)15-12(17)8-14/h2-7H,8-9H2,1H3
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n/an/a 7.76E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47406
PNG
(4-[(Z)-2-(4-chlorophenyl)ethenyl]-2,2,3,3-tetramet...)
Show SMILES COC1(OC)C(\C=C/c2ccc(Cl)cc2)C(C#N)(C#N)C1(OC)OC
Show InChI InChI=1S/C18H19ClN2O4/c1-22-17(23-2)15(10-7-13-5-8-14(19)9-6-13)16(11-20,12-21)18(17,24-3)25-4/h5-10,15H,1-4H3/b10-7-
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n/an/a 7.83E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47397
PNG
(1,3-dimethyl-8-[[methyl-(phenylmethyl)amino]methyl...)
Show SMILES CCCn1c(CN(C)Cc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
Show InChI InChI=1S/C19H25N5O2/c1-5-11-24-15(13-21(2)12-14-9-7-6-8-10-14)20-17-16(24)18(25)23(4)19(26)22(17)3/h6-10H,5,11-13H2,1-4H3
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n/an/a 8.17E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47416
PNG
(1-(2,4-dimethoxyphenyl)-6,8-dimethoxy-4-methyl-2,3...)
Show SMILES COc1ccc(N2CCc3c2c2cc(OC)cc(OC)c2nc3C)c(OC)c1
Show InChI InChI=1S/C22H24N2O4/c1-13-16-8-9-24(18-7-6-14(25-2)11-19(18)27-4)22(16)17-10-15(26-3)12-20(28-5)21(17)23-13/h6-7,10-12H,8-9H2,1-5H3
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n/an/a 8.32E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47477
PNG
((3Z)-6-chloranyl-3-[2-(furan-2-yl)-2-oxidanylidene...)
Show SMILES Clc1ccc2oc(=O)c(CC(=O)c3ccco3)nc2c1
Show InChI InChI=1S/C14H8ClNO4/c15-8-3-4-12-9(6-8)16-10(14(18)20-12)7-11(17)13-2-1-5-19-13/h1-6H,7H2
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n/an/a 8.35E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47446
PNG
(2-chloranyl-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl...)
Show SMILES ClCC(=O)NCc1cc(no1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H10Cl2N2O2/c13-6-12(17)15-7-10-5-11(16-18-10)8-1-3-9(14)4-2-8/h1-5H,6-7H2,(H,15,17)
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n/an/a 8.35E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47440
PNG
(5-bromanyl-1-[(3,4-dichlorophenyl)methyl]-2-methyl...)
Show SMILES Cc1nc(c(Br)n1Cc1ccc(Cl)c(Cl)c1)[N+]([O-])=O
Show InChI InChI=1S/C11H8BrCl2N3O2/c1-6-15-11(17(18)19)10(12)16(6)5-7-2-3-8(13)9(14)4-7/h2-4H,5H2,1H3
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n/an/a 8.44E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47423
PNG
(2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one | 2...)
Show SMILES O=C1OC(CC=C1)\C=C\c1ccccc1
Show InChI InChI=1S/C13H12O2/c14-13-8-4-7-12(15-13)10-9-11-5-2-1-3-6-11/h1-6,8-10,12H,7H2/b10-9+
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n/an/a 8.52E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM34851
PNG
(3-benzyl-7,8-dihydroxy-4-methyl-2H-chromen-2-one |...)
Show SMILES Cc1c(Cc2ccccc2)c(=O)oc2c(O)c(O)ccc12
Show InChI InChI=1S/C17H14O4/c1-10-12-7-8-14(18)15(19)16(12)21-17(20)13(10)9-11-5-3-2-4-6-11/h2-8,18-19H,9H2,1H3
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n/an/a 8.62E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47436
PNG
((6E)-6-[5-(4-methoxyphenyl)-1,2-dihydropyrazol-3-y...)
Show SMILES COc1ccc(cc1)-c1cc(n[nH]1)-c1cc(C)ccc1O
Show InChI InChI=1S/C17H16N2O2/c1-11-3-8-17(20)14(9-11)16-10-15(18-19-16)12-4-6-13(21-2)7-5-12/h3-10,20H,1-2H3,(H,18,19)
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n/an/a 8.76E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47473
PNG
((3Z)-6-chloranyl-3-(3,3-dimethyl-2-oxidanylidene-b...)
Show SMILES CC(C)(C)C(=O)Cc1nc2cc(Cl)ccc2oc1=O
Show InChI InChI=1S/C14H14ClNO3/c1-14(2,3)12(17)7-10-13(18)19-11-5-4-8(15)6-9(11)16-10/h4-6H,7H2,1-3H3
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n/an/a 9.55E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47427
PNG
(4-thieno[2,3-c][2]benzothiepin-4(9H)-ylidenepiperi...)
Show SMILES C1CC(CCN1)=C1c2ccsc2SCc2ccccc12
Show InChI InChI=1S/C17H17NS2/c1-2-4-14-13(3-1)11-20-17-15(7-10-19-17)16(14)12-5-8-18-9-6-12/h1-4,7,10,18H,5-6,8-9,11H2
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n/an/a 1.05E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47425
PNG
(2-chloranyl-N-[(2,3-dimethylcyclohexyl)carbamoyl]e...)
Show SMILES CC1CCCC(NC(=O)NC(=O)CCl)C1C
Show InChI InChI=1S/C11H19ClN2O2/c1-7-4-3-5-9(8(7)2)13-11(16)14-10(15)6-12/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16)
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n/an/a 1.06E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47414
PNG
(2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N'-[(Z)...)
Show SMILES Cc1cc(SCC(=O)NN=Cc2ccc(O)c(O)c2)c(C)cc1Br
Show InChI InChI=1S/C17H17BrN2O3S/c1-10-6-16(11(2)5-13(10)18)24-9-17(23)20-19-8-12-3-4-14(21)15(22)7-12/h3-8,21-22H,9H2,1-2H3,(H,20,23)
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n/an/a 1.07E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47469
PNG
(2-keto-4-phenylimino-N-styrylidene-but-3-enamide |...)
Show SMILES O=C(C=C=Nc1ccccc1)C(=O)N=C=Cc1ccccc1
Show InChI InChI=1S/C18H12N2O2/c21-17(12-14-19-16-9-5-2-6-10-16)18(22)20-13-11-15-7-3-1-4-8-15/h1-12H
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n/an/a 1.07E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47437
PNG
(3-(1-azepanylmethyl)-1H-indole;hydrochloride | 3-(...)
Show SMILES C(N1CCCCCC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C15H20N2/c1-2-6-10-17(9-5-1)12-13-11-16-15-8-4-3-7-14(13)15/h3-4,7-8,11,16H,1-2,5-6,9-10,12H2
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n/an/a 1.07E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47420
PNG
((E)-3-(3,4-Bis-methoxycarbonyloxy-phenyl)-acrylic ...)
Show SMILES COC(=O)Oc1ccc(\C=C\C(=O)OC)cc1OC(=O)OC
Show InChI InChI=1S/C14H14O8/c1-18-12(15)7-5-9-4-6-10(21-13(16)19-2)11(8-9)22-14(17)20-3/h4-8H,1-3H3/b7-5+
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n/an/a 1.07E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47430
PNG
((5Z)-3-anilino-5-(3,4-dihydroxybenzylidene)-2-thio...)
Show SMILES Oc1ccc(\C=C2/SC(=S)N(Nc3ccccc3)C2=O)cc1O
Show InChI InChI=1S/C16H12N2O3S2/c19-12-7-6-10(8-13(12)20)9-14-15(21)18(16(22)23-14)17-11-4-2-1-3-5-11/h1-9,17,19-20H/b14-9-
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n/an/a 1.10E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM46022
PNG
(1-(3,4-dihydroxyphenyl)-2-[1-(4-fluorophenyl)tetra...)
Show SMILES Oc1ccc(cc1O)C(=O)CSc1nnnn1-c1ccc(F)cc1
Show InChI InChI=1S/C15H11FN4O3S/c16-10-2-4-11(5-3-10)20-15(17-18-19-20)24-8-14(23)9-1-6-12(21)13(22)7-9/h1-7,21-22H,8H2
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n/an/a 1.11E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47405
PNG
(2-chloranyl-N-[1-[(2,4-dichlorophenyl)methyl]-3,5-...)
Show SMILES Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)CCl
Show InChI InChI=1S/C14H14Cl3N3O/c1-8-14(18-13(21)6-15)9(2)20(19-8)7-10-3-4-11(16)5-12(10)17/h3-5H,6-7H2,1-2H3,(H,18,21)
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n/an/a 1.14E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47400
PNG
(MLS000065286 | N-(2,5-dimethoxyphenyl)-4-(methylth...)
Show SMILES COc1ccc(OC)c(NS(=O)(=O)c2ccc(SC)cc2)c1
Show InChI InChI=1S/C15H17NO4S2/c1-19-11-4-9-15(20-2)14(10-11)16-22(17,18)13-7-5-12(21-3)6-8-13/h4-10,16H,1-3H3
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n/an/a 1.24E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47403
PNG
(MLS000550559 | N-(9H-carbazol-1-yl)-2,2,2-trifluor...)
Show SMILES FC(F)(F)C(=O)Nc1cccc2c3ccccc3[nH]c12
Show InChI InChI=1S/C14H9F3N2O/c15-14(16,17)13(20)19-11-7-3-5-9-8-4-1-2-6-10(8)18-12(9)11/h1-7,18H,(H,19,20)
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n/an/a 1.37E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47399
PNG
(3-chloro-N-(1,1-diketo-2,3-dihydrothiophen-3-yl)be...)
Show SMILES Clc1c(sc2ccccc12)C(=O)NC1CS(=O)(=O)C=C1
Show InChI InChI=1S/C13H10ClNO3S2/c14-11-9-3-1-2-4-10(9)19-12(11)13(16)15-8-5-6-20(17,18)7-8/h1-6,8H,7H2,(H,15,16)
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n/an/a 1.38E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47463
PNG
(1-(5,6-Dichloro-pyridine-3-sulfonyl)-2,3-dihydro-1...)
Show SMILES Clc1cc(cnc1Cl)S(=O)(=O)N1CCc2ccccc12
Show InChI InChI=1S/C13H10Cl2N2O2S/c14-11-7-10(8-16-13(11)15)20(18,19)17-6-5-9-3-1-2-4-12(9)17/h1-4,7-8H,5-6H2
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n/an/a 1.58E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM31059
PNG
(2-(3,4-dihydro-2H-quinolin-1-yl)-9,10-dimethoxy-6,...)
Show SMILES COc1cc2CCn3c(cc(nc3=O)N3CCCc4ccccc34)-c2cc1OC
Show InChI InChI=1S/C23H23N3O3/c1-28-20-12-16-9-11-26-19(17(16)13-21(20)29-2)14-22(24-23(26)27)25-10-5-7-15-6-3-4-8-18(15)25/h3-4,6,8,12-14H,5,7,9-11H2,1-2H3
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n/an/a 3.56E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47475
PNG
(2-[[(Z)-[2-[3-(diethylsulfamoyl)phenyl]-1,3-bis(ox...)
Show SMILES CCN(CC)S(=O)(=O)c1cccc(c1)-n1c(O)c(C=Nc2ccccc2C(O)=O)c2ccccc2c1=O
Show InChI InChI=1S/C27H25N3O6S/c1-3-29(4-2)37(35,36)19-11-9-10-18(16-19)30-25(31)21-13-6-5-12-20(21)23(26(30)32)17-28-24-15-8-7-14-22(24)27(33)34/h5-17,32H,3-4H2,1-2H3,(H,33,34)
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n/an/a>4.00E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47451
PNG
(MLS000773959 | N-[2-(3,4-dihydroxyphenyl)ethyl]-3-...)
Show SMILES CN(c1ccccc1)S(=O)(=O)c1cccc(c1)C(=O)NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C22H22N2O5S/c1-24(18-7-3-2-4-8-18)30(28,29)19-9-5-6-17(15-19)22(27)23-13-12-16-10-11-20(25)21(26)14-16/h2-11,14-15,25-26H,12-13H2,1H3,(H,23,27)
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n/an/a>4.00E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM37769
PNG
(MLS000100112 | N-(2-hydroxy-5-methyl-phenyl)-2-(3-...)
Show SMILES Cc1cccc(OCC(=O)Nc2cc(C)ccc2O)c1
Show InChI InChI=1S/C16H17NO3/c1-11-4-3-5-13(8-11)20-10-16(19)17-14-9-12(2)6-7-15(14)18/h3-9,18H,10H2,1-2H3,(H,17,19)
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n/an/a>4.00E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20863Q9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%