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PubMed code 24666646

Compile data set for download or QSAR
Found 37 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))
BDBM50003620
PNG
(CHEMBL3234895)
Show SMILES CC(C)(O)COCc1cccc(Nc2sc(cc2C(N)=O)-c2c(F)cc(cc2F)C(C)(C)O)n1
Show InChI InChI=1S/C24H27F2N3O4S/c1-23(2,31)12-33-11-14-6-5-7-19(28-14)29-22-15(21(27)30)10-18(34-22)20-16(25)8-13(9-17(20)26)24(3,4)32/h5-10,31-32H,11-12H2,1-4H3,(H2,27,30)(H,28,29)
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n/an/a 7.5n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50003586
PNG
(CHEMBL3234884)
Show SMILES CS(=O)(=O)c1ccc(Nc2sc(cc2C(N)=O)-c2ccccc2)nc1
Show InChI InChI=1S/C17H15N3O3S2/c1-25(22,23)12-7-8-15(19-10-12)20-17-13(16(18)21)9-14(24-17)11-5-3-2-4-6-11/h2-10H,1H3,(H2,18,21)(H,19,20)
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n/an/a 16n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50003619
PNG
(CHEMBL3234873)
Show SMILES CC(C)(O)c1ccc(cc1)-c1cc(C(N)=O)c(Nc2cccc(CN3CCOCC3)n2)s1
Show InChI InChI=1S/C24H28N4O3S/c1-24(2,30)17-8-6-16(7-9-17)20-14-19(22(25)29)23(32-20)27-21-5-3-4-18(26-21)15-28-10-12-31-13-11-28/h3-9,14,30H,10-13,15H2,1-2H3,(H2,25,29)(H,26,27)
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n/an/a 20n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50003615
PNG
(CHEMBL3234874)
Show SMILES NC(=O)c1cc(sc1Nc1cccc(CN2CCOCC2)n1)-c1ccccc1F
Show InChI InChI=1S/C21H21FN4O2S/c22-17-6-2-1-5-15(17)18-12-16(20(23)27)21(29-18)25-19-7-3-4-14(24-19)13-26-8-10-28-11-9-26/h1-7,12H,8-11,13H2,(H2,23,27)(H,24,25)
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n/an/a 34n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50003589
PNG
(CHEMBL3233031)
Show SMILES Cc1cccc(Nc2sc(cc2C(N)=O)-c2ccccc2F)n1
Show InChI InChI=1S/C17H14FN3OS/c1-10-5-4-8-15(20-10)21-17-12(16(19)22)9-14(23-17)11-6-2-3-7-13(11)18/h2-9H,1H3,(H2,19,22)(H,20,21)
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n/an/a 36n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50375661
PNG
(CHEMBL404609)
Show SMILES NC(=O)Nc1sc(cc1C(N)=O)-c1ccccc1
Show InChI InChI=1S/C12H11N3O2S/c13-10(16)8-6-9(7-4-2-1-3-5-7)18-11(8)15-12(14)17/h1-6H,(H2,13,16)(H3,14,15,17)
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n/an/a 61n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50003574
PNG
(CHEMBL3234894)
Show SMILES NC(=O)c1cc(sc1Nc1ccccn1)-c1ccccc1
Show InChI InChI=1S/C16H13N3OS/c17-15(20)12-10-13(11-6-2-1-3-7-11)21-16(12)19-14-8-4-5-9-18-14/h1-10H,(H2,17,20)(H,18,19)
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n/an/a 65n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50003603
PNG
(CHEMBL3234879)
Show SMILES Cc1cccc(Nc2sc(cc2C(N)=O)-c2cccc(F)c2F)n1
Show InChI InChI=1S/C17H13F2N3OS/c1-9-4-2-7-14(21-9)22-17-11(16(20)23)8-13(24-17)10-5-3-6-12(18)15(10)19/h2-8H,1H3,(H2,20,23)(H,21,22)
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n/an/a 80n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50003620
PNG
(CHEMBL3234895)
Show SMILES CC(C)(O)COCc1cccc(Nc2sc(cc2C(N)=O)-c2c(F)cc(cc2F)C(C)(C)O)n1
Show InChI InChI=1S/C24H27F2N3O4S/c1-23(2,31)12-33-11-14-6-5-7-19(28-14)29-22-15(21(27)30)10-18(34-22)20-16(25)8-13(9-17(20)26)24(3,4)32/h5-10,31-32H,11-12H2,1-4H3,(H2,27,30)(H,28,29)
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n/an/a 90n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)-mediated STAT5 phosphorylation by AlphaScreen assay


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50003611
PNG
(CHEMBL3234878)
Show SMILES Cc1cccc(Nc2sc(cc2C(N)=O)-c2ccccc2Cl)n1
Show InChI InChI=1S/C17H14ClN3OS/c1-10-5-4-8-15(20-10)21-17-12(16(19)22)9-14(23-17)11-6-2-3-7-13(11)18/h2-9H,1H3,(H2,19,22)(H,20,21)
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n/an/a 93n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50003591
PNG
(CHEMBL3234881)
Show SMILES Cc1cccc(Nc2sc(cc2C(N)=O)-c2ccc(F)cc2)n1
Show InChI InChI=1S/C17H14FN3OS/c1-10-3-2-4-15(20-10)21-17-13(16(19)22)9-14(23-17)11-5-7-12(18)8-6-11/h2-9H,1H3,(H2,19,22)(H,20,21)
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n/an/a 140n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50003580
PNG
(CHEMBL3234888)
Show SMILES NC(=O)c1cc(sc1Nc1ccc(cn1)C#N)-c1ccccc1
Show InChI InChI=1S/C17H12N4OS/c18-9-11-6-7-15(20-10-11)21-17-13(16(19)22)8-14(23-17)12-4-2-1-3-5-12/h1-8,10H,(H2,19,22)(H,20,21)
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n/an/a 146n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50003590
PNG
(CHEMBL3234882)
Show SMILES Cc1cccc(Nc2sc(cc2C(N)=O)-c2cccc(F)c2)n1
Show InChI InChI=1S/C17H14FN3OS/c1-10-4-2-7-15(20-10)21-17-13(16(19)22)9-14(23-17)11-5-3-6-12(18)8-11/h2-9H,1H3,(H2,19,22)(H,20,21)
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n/an/a 155n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50003583
PNG
(CHEMBL3234887)
Show SMILES NC(=O)c1cc(sc1Nc1ccc(F)cn1)-c1ccccc1
Show InChI InChI=1S/C16H12FN3OS/c17-11-6-7-14(19-9-11)20-16-12(15(18)21)8-13(22-16)10-4-2-1-3-5-10/h1-9H,(H2,18,21)(H,19,20)
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n/an/a 161n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50003615
PNG
(CHEMBL3234874)
Show SMILES NC(=O)c1cc(sc1Nc1cccc(CN2CCOCC2)n1)-c1ccccc1F
Show InChI InChI=1S/C21H21FN4O2S/c22-17-6-2-1-5-15(17)18-12-16(20(23)27)21(29-18)25-19-7-3-4-14(24-19)13-26-8-10-28-11-9-26/h1-7,12H,8-11,13H2,(H2,23,27)(H,24,25)
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n/an/a 161n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50003577
PNG
(CHEMBL3234891)
Show SMILES NC(=O)c1cc(sc1Nc1ccncc1)-c1ccccc1
Show InChI InChI=1S/C16H13N3OS/c17-15(20)13-10-14(11-4-2-1-3-5-11)21-16(13)19-12-6-8-18-9-7-12/h1-10H,(H2,17,20)(H,18,19)
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n/an/a 175n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50003593
PNG
(CHEMBL3234880)
Show SMILES Cc1cccc(Nc2sc(cc2C(N)=O)-c2ccc(F)cc2F)n1
Show InChI InChI=1S/C17H13F2N3OS/c1-9-3-2-4-15(21-9)22-17-12(16(20)23)8-14(24-17)11-6-5-10(18)7-13(11)19/h2-8H,1H3,(H2,20,23)(H,21,22)
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n/an/a 178n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50003585
PNG
(CHEMBL3234885)
Show SMILES Cc1ccc(Nc2sc(cc2C(N)=O)-c2ccccc2)nc1
Show InChI InChI=1S/C17H15N3OS/c1-11-7-8-15(19-10-11)20-17-13(16(18)21)9-14(22-17)12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,21)(H,19,20)
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n/an/a 178n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50003584
PNG
(CHEMBL3234886)
Show SMILES NC(=O)c1cc(sc1Nc1cc(F)ccn1)-c1ccccc1
Show InChI InChI=1S/C16H12FN3OS/c17-11-6-7-19-14(8-11)20-16-12(15(18)21)9-13(22-16)10-4-2-1-3-5-10/h1-9H,(H2,18,21)(H,19,20)
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n/an/a 227n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50003578
PNG
(CHEMBL3234890)
Show SMILES Cc1cccc(Nc2sc(cc2C(N)=O)-c2ccccc2)n1
Show InChI InChI=1S/C17H15N3OS/c1-11-6-5-9-15(19-11)20-17-13(16(18)21)10-14(22-17)12-7-3-2-4-8-12/h2-10H,1H3,(H2,18,21)(H,19,20)
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n/an/a 270n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50003612
PNG
(CHEMBL3234877)
Show SMILES Cc1cccc(Nc2sc(cc2C(N)=O)-c2cccc(Cl)c2)n1
Show InChI InChI=1S/C17H14ClN3OS/c1-10-4-2-7-15(20-10)21-17-13(16(19)22)9-14(23-17)11-5-3-6-12(18)8-11/h2-9H,1H3,(H2,19,22)(H,20,21)
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PubMed
n/an/a 312n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50003576
PNG
(CHEMBL3234892)
Show SMILES NC(=O)c1cc(sc1Nc1cccnc1)-c1ccccc1
Show InChI InChI=1S/C16H13N3OS/c17-15(20)13-9-14(11-5-2-1-3-6-11)21-16(13)19-12-7-4-8-18-10-12/h1-10,19H,(H2,17,20)
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n/an/a 319n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50003614
PNG
(CHEMBL3234875)
Show SMILES Cc1cccc(Nc2sc(cc2C(N)=O)-c2ccc(cc2)C(F)(F)F)n1
Show InChI InChI=1S/C18H14F3N3OS/c1-10-3-2-4-15(23-10)24-17-13(16(22)25)9-14(26-17)11-5-7-12(8-6-11)18(19,20)21/h2-9H,1H3,(H2,22,25)(H,23,24)
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n/an/a 380n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50003579
PNG
(CHEMBL3234889)
Show SMILES Cc1ccnc(Nc2sc(cc2C(N)=O)-c2ccccc2)c1
Show InChI InChI=1S/C17H15N3OS/c1-11-7-8-19-15(9-11)20-17-13(16(18)21)10-14(22-17)12-5-3-2-4-6-12/h2-10H,1H3,(H2,18,21)(H,19,20)
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n/an/a 398n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50003619
PNG
(CHEMBL3234873)
Show SMILES CC(C)(O)c1ccc(cc1)-c1cc(C(N)=O)c(Nc2cccc(CN3CCOCC3)n2)s1
Show InChI InChI=1S/C24H28N4O3S/c1-24(2,30)17-8-6-16(7-9-17)20-14-19(22(25)29)23(32-20)27-21-5-3-4-18(26-21)15-28-10-12-31-13-11-28/h3-9,14,30H,10-13,15H2,1-2H3,(H2,25,29)(H,26,27)
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n/an/a 520n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)-mediated STAT5 phosphorylation by AlphaScreen assay


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50003613
PNG
(CHEMBL3234876)
Show SMILES Cc1cccc(Nc2sc(cc2C(N)=O)-c2cccc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C18H14F3N3OS/c1-10-4-2-7-15(23-10)24-17-13(16(22)25)9-14(26-17)11-5-3-6-12(8-11)18(19,20)21/h2-9H,1H3,(H2,22,25)(H,23,24)
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n/an/a 690n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50003620
PNG
(CHEMBL3234895)
Show SMILES CC(C)(O)COCc1cccc(Nc2sc(cc2C(N)=O)-c2c(F)cc(cc2F)C(C)(C)O)n1
Show InChI InChI=1S/C24H27F2N3O4S/c1-23(2,31)12-33-11-14-6-5-7-19(28-14)29-22-15(21(27)30)10-18(34-22)20-16(25)8-13(9-17(20)26)24(3,4)32/h5-10,31-32H,11-12H2,1-4H3,(H2,27,30)(H,28,29)
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n/an/a 763n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50003587
PNG
(CHEMBL3234883)
Show SMILES NC(=O)c1cc(sc1Nc1cccc(n1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C17H12F3N3OS/c18-17(19,20)13-7-4-8-14(22-13)23-16-11(15(21)24)9-12(25-16)10-5-2-1-3-6-10/h1-9H,(H2,21,24)(H,22,23)
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n/an/a 891n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50003575
PNG
(CHEMBL3234893)
Show SMILES NC(=O)c1cc(sc1Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C17H14N2OS/c18-16(20)14-11-15(12-7-3-1-4-8-12)21-17(14)19-13-9-5-2-6-10-13/h1-11,19H,(H2,18,20)
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n/an/a 1.01E+3n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50003619
PNG
(CHEMBL3234873)
Show SMILES CC(C)(O)c1ccc(cc1)-c1cc(C(N)=O)c(Nc2cccc(CN3CCOCC3)n2)s1
Show InChI InChI=1S/C24H28N4O3S/c1-24(2,30)17-8-6-16(7-9-17)20-14-19(22(25)29)23(32-20)27-21-5-3-4-18(26-21)15-28-10-12-31-13-11-28/h3-9,14,30H,10-13,15H2,1-2H3,(H2,25,29)(H,26,27)
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n/an/a 1.35E+3n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50003619
PNG
(CHEMBL3234873)
Show SMILES CC(C)(O)c1ccc(cc1)-c1cc(C(N)=O)c(Nc2cccc(CN3CCOCC3)n2)s1
Show InChI InChI=1S/C24H28N4O3S/c1-24(2,30)17-8-6-16(7-9-17)20-14-19(22(25)29)23(32-20)27-21-5-3-4-18(26-21)15-28-10-12-31-13-11-28/h3-9,14,30H,10-13,15H2,1-2H3,(H2,25,29)(H,26,27)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50375661
PNG
(CHEMBL404609)
Show SMILES NC(=O)Nc1sc(cc1C(N)=O)-c1ccccc1
Show InChI InChI=1S/C12H11N3O2S/c13-10(16)8-6-9(7-4-2-1-3-5-7)18-11(8)15-12(14)17/h1-6H,(H2,13,16)(H3,14,15,17)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50003574
PNG
(CHEMBL3234894)
Show SMILES NC(=O)c1cc(sc1Nc1ccccn1)-c1ccccc1
Show InChI InChI=1S/C16H13N3OS/c17-15(20)12-10-13(11-6-2-1-3-7-11)21-16(12)19-14-8-4-5-9-18-14/h1-10H,(H2,17,20)(H,18,19)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50003620
PNG
(CHEMBL3234895)
Show SMILES CC(C)(O)COCc1cccc(Nc2sc(cc2C(N)=O)-c2c(F)cc(cc2F)C(C)(C)O)n1
Show InChI InChI=1S/C24H27F2N3O4S/c1-23(2,31)12-33-11-14-6-5-7-19(28-14)29-22-15(21(27)30)10-18(34-22)20-16(25)8-13(9-17(20)26)24(3,4)32/h5-10,31-32H,11-12H2,1-4H3,(H2,27,30)(H,28,29)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50003576
PNG
(CHEMBL3234892)
Show SMILES NC(=O)c1cc(sc1Nc1cccnc1)-c1ccccc1
Show InChI InChI=1S/C16H13N3OS/c17-15(20)13-9-14(11-5-2-1-3-6-11)21-16(13)19-12-7-4-8-18-10-12/h1-10,19H,(H2,17,20)
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n/an/a 2.85E+4n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50003575
PNG
(CHEMBL3234893)
Show SMILES NC(=O)c1cc(sc1Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C17H14N2OS/c18-16(20)14-11-15(12-7-3-1-4-8-12)21-17(14)19-13-9-5-2-6-10-13/h1-11,19H,(H2,18,20)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50003577
PNG
(CHEMBL3234891)
Show SMILES NC(=O)c1cc(sc1Nc1ccncc1)-c1ccccc1
Show InChI InChI=1S/C16H13N3OS/c17-15(20)13-10-14(11-4-2-1-3-5-11)21-16(13)19-12-6-8-18-9-7-12/h1-10H,(H2,17,20)(H,18,19)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)


Bioorg Med Chem Lett 24: 1968-73 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.064
BindingDB Entry DOI: 10.7270/Q2CF9RM3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%