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Compile Data Set for Download or QSAR

Found 191 hits with Last Name = 'zabierek' and Initial = 'aa'   
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
MAP/microtubule affinity-regulating kinase 3


(Homo sapiens (Human))
BDBM50208911
PNG
(CHEMBL3884319)
Show SMILES CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
Show InChI InChI=1S/C23H22N4O2/c1-23(2)17-13-24-22(25-14-7-4-3-5-8-14)26-20(17)27(21(23)29)18-12-11-16-15(18)9-6-10-19(16)28/h3-10,13,18,28H,11-12H2,1-2H3,(H,24,25,26)/t18-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human MARK3 using biotin labeled peptide substrate by HTRF based assay


Bioorg Med Chem Lett 27: 114-120 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.068
BindingDB Entry DOI: 10.7270/Q2N018JC
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))
BDBM50208911
PNG
(CHEMBL3884319)
Show SMILES CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
Show InChI InChI=1S/C23H22N4O2/c1-23(2)17-13-24-22(25-14-7-4-3-5-8-14)26-20(17)27(21(23)29)18-12-11-16-15(18)9-6-10-19(16)28/h3-10,13,18,28H,11-12H2,1-2H3,(H,24,25,26)/t18-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length His-tagged NUAK1 expressed in baculovirus expression system


Bioorg Med Chem Lett 27: 114-120 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.068
BindingDB Entry DOI: 10.7270/Q2N018JC
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 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
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50208911
PNG
(CHEMBL3884319)
Show SMILES CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
Show InChI InChI=1S/C23H22N4O2/c1-23(2)17-13-24-22(25-14-7-4-3-5-8-14)26-20(17)27(21(23)29)18-12-11-16-15(18)9-6-10-19(16)28/h3-10,13,18,28H,11-12H2,1-2H3,(H,24,25,26)/t18-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged FLT3 cytoplasmic domain (564 to 958 residues) expressed in baculovirus expression system


Bioorg Med Chem Lett 27: 114-120 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.068
BindingDB Entry DOI: 10.7270/Q2N018JC
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 3


(Homo sapiens (Human))
BDBM50208915
PNG
(CHEMBL3883979)
Show SMILES CC1(C)C(=O)N([C@H]2CCc3c2cccc3N)c2nc(Nc3ccccc3)ncc12 |r|
Show InChI InChI=1S/C23H23N5O/c1-23(2)17-13-25-22(26-14-7-4-3-5-8-14)27-20(17)28(21(23)29)19-12-11-15-16(19)9-6-10-18(15)24/h3-10,13,19H,11-12,24H2,1-2H3,(H,25,26,27)/t19-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human MARK3 using biotin labeled peptide substrate by HTRF based assay


Bioorg Med Chem Lett 27: 114-120 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.068
BindingDB Entry DOI: 10.7270/Q2N018JC
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 3


(Homo sapiens (Human))
BDBM50208927
PNG
(CHEMBL3884318)
Show SMILES C[C@H](N1C(=O)C(C)(C)c2cnc(Nc3cccnc3)nc12)c1cccc(O)c1 |r|
Show InChI InChI=1S/C21H21N5O2/c1-13(14-6-4-8-16(27)10-14)26-18-17(21(2,3)19(26)28)12-23-20(25-18)24-15-7-5-9-22-11-15/h4-13,27H,1-3H3,(H,23,24,25)/t13-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human MARK3 using biotin labeled peptide substrate by HTRF based assay


Bioorg Med Chem Lett 27: 114-120 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.068
BindingDB Entry DOI: 10.7270/Q2N018JC
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50208911
PNG
(CHEMBL3884319)
Show SMILES CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
Show InChI InChI=1S/C23H22N4O2/c1-23(2)17-13-24-22(25-14-7-4-3-5-8-14)26-20(17)27(21(23)29)18-12-11-16-15(18)9-6-10-19(16)28/h3-10,13,18,28H,11-12H2,1-2H3,(H,24,25,26)/t18-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged CSF1R cytoplasmic domain (538 to 910 residues) expressed in baculovirus expression system


Bioorg Med Chem Lett 27: 114-120 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.068
BindingDB Entry DOI: 10.7270/Q2N018JC
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 3


(Homo sapiens (Human))
BDBM50208920
PNG
(CHEMBL3884535)
Show SMILES CC1(C)C(=O)N(C2CCCCC2)c2nc(Nc3cccc(c3)N3CCNCC3)ncc12
Show InChI InChI=1S/C24H32N6O/c1-24(2)20-16-26-23(28-21(20)30(22(24)31)18-8-4-3-5-9-18)27-17-7-6-10-19(15-17)29-13-11-25-12-14-29/h6-7,10,15-16,18,25H,3-5,8-9,11-14H2,1-2H3,(H,26,27,28)
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n/an/a 14n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human MARK3 using biotin labeled peptide substrate by HTRF based assay


Bioorg Med Chem Lett 27: 114-120 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.068
BindingDB Entry DOI: 10.7270/Q2N018JC
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
MAP/microtubule affinity-regulating kinase 3


(Homo sapiens (Human))
BDBM50208928
PNG
(CHEMBL3884344)
Show SMILES CC1(C)C(=O)N([C@H]2CCc3c2cccc3NS(C)(=O)=O)c2nc(Nc3ccccc3)ncc12 |r|
Show InChI InChI=1S/C24H25N5O3S/c1-24(2)18-14-25-23(26-15-8-5-4-6-9-15)27-21(18)29(22(24)30)20-13-12-16-17(20)10-7-11-19(16)28-33(3,31)32/h4-11,14,20,28H,12-13H2,1-3H3,(H,25,26,27)/t20-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human MARK3 using biotin labeled peptide substrate by HTRF based assay


Bioorg Med Chem Lett 27: 114-120 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.068
BindingDB Entry DOI: 10.7270/Q2N018JC
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
MAP/microtubule affinity-regulating kinase 4


(Homo sapiens (Human))
BDBM50208911
PNG
(CHEMBL3884319)
Show SMILES CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
Show InChI InChI=1S/C23H22N4O2/c1-23(2)17-13-24-22(25-14-7-4-3-5-8-14)26-20(17)27(21(23)29)18-12-11-16-15(18)9-6-10-19(16)28/h3-10,13,18,28H,11-12H2,1-2H3,(H,24,25,26)/t18-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human MARK4 expressed in HEK293T cells coexpressing tau protein assessed as reduction in tau phosphorylation at Ser262 residues by Alph...


Bioorg Med Chem Lett 27: 114-120 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.068
BindingDB Entry DOI: 10.7270/Q2N018JC
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 3


(Homo sapiens (Human))
BDBM50208917
PNG
(CHEMBL3883433)
Show SMILES CC1(C)C(=O)N([C@H]2CCc3ccccc23)c2nc(Nc3cccnc3)ncc12 |r|
Show InChI InChI=1S/C22H21N5O/c1-22(2)17-13-24-21(25-15-7-5-11-23-12-15)26-19(17)27(20(22)28)18-10-9-14-6-3-4-8-16(14)18/h3-8,11-13,18H,9-10H2,1-2H3,(H,24,25,26)/t18-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human MARK3 using biotin labeled peptide substrate by HTRF based assay


Bioorg Med Chem Lett 27: 114-120 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.068
BindingDB Entry DOI: 10.7270/Q2N018JC
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
MAP/microtubule affinity-regulating kinase 3


(Homo sapiens (Human))
BDBM50208914
PNG
(CHEMBL3884884)
Show SMILES C[C@H](N1C(=O)C(C)(C)c2cnc(Nc3cccnc3)nc12)c1ccccc1 |r|
Show InChI InChI=1S/C21H21N5O/c1-14(15-8-5-4-6-9-15)26-18-17(21(2,3)19(26)27)13-23-20(25-18)24-16-10-7-11-22-12-16/h4-14H,1-3H3,(H,23,24,25)/t14-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human MARK3 using biotin labeled peptide substrate by HTRF based assay


Bioorg Med Chem Lett 27: 114-120 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.068
BindingDB Entry DOI: 10.7270/Q2N018JC
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 3


(Homo sapiens (Human))
BDBM50209096
PNG
(CHEMBL3885080)
Show SMILES CC[C@H](C)N1C(=O)C2(CC2)c2cnc(Nc3cccnc3)nc12 |r|
Show InChI InChI=1S/C17H19N5O/c1-3-11(2)22-14-13(17(6-7-17)15(22)23)10-19-16(21-14)20-12-5-4-8-18-9-12/h4-5,8-11H,3,6-7H2,1-2H3,(H,19,20,21)/t11-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of MARK3 (unknown origin)


Bioorg Med Chem Lett 27: 109-113 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.066
BindingDB Entry DOI: 10.7270/Q20867B1
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)
MAP/microtubule affinity-regulating kinase 3


(Homo sapiens (Human))
BDBM50208926
PNG
(CHEMBL3884179)
Show SMILES C[C@H](N1C(=O)C(C)(C)c2cnc(Nc3cccnc3)nc12)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C21H20FN5O/c1-13(14-6-8-15(22)9-7-14)27-18-17(21(2,3)19(27)28)12-24-20(26-18)25-16-5-4-10-23-11-16/h4-13H,1-3H3,(H,24,25,26)/t13-/m0/s1
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n/an/a 61n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of MARK3 (unknown origin)


Bioorg Med Chem Lett 27: 109-113 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.066
BindingDB Entry DOI: 10.7270/Q20867B1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP/microtubule affinity-regulating kinase 3


(Homo sapiens (Human))
BDBM50208926
PNG
(CHEMBL3884179)
Show SMILES C[C@H](N1C(=O)C(C)(C)c2cnc(Nc3cccnc3)nc12)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C21H20FN5O/c1-13(14-6-8-15(22)9-7-14)27-18-17(21(2,3)19(27)28)12-24-20(26-18)25-16-5-4-10-23-11-16/h4-13H,1-3H3,(H,24,25,26)/t13-/m0/s1
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n/an/a 62n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human MARK3 using biotin labeled peptide substrate by HTRF based assay


Bioorg Med Chem Lett 27: 114-120 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.068
BindingDB Entry DOI: 10.7270/Q2N018JC
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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50208911
PNG
(CHEMBL3884319)
Show SMILES CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
Show InChI InChI=1S/C23H22N4O2/c1-23(2)17-13-24-22(25-14-7-4-3-5-8-14)26-20(17)27(21(23)29)18-12-11-16-15(18)9-6-10-19(16)28/h3-10,13,18,28H,11-12H2,1-2H3,(H,24,25,26)/t18-/m0/s1
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n/an/a 76n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged KIT cytoplasmic domain (544 to 976 residues) expressed in baculovirus expression system


Bioorg Med Chem Lett 27: 114-120 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.068
BindingDB Entry DOI: 10.7270/Q2N018JC
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
MAP/microtubule affinity-regulating kinase 3


(Homo sapiens (Human))
BDBM50208932
PNG
(CHEMBL3883412)
Show SMILES CC(C)[C@H](C)N1C(=O)C(C)(C)c2cnc(Nc3ccccc3)nc12 |r|
Show InChI InChI=1S/C19H24N4O/c1-12(2)13(3)23-16-15(19(4,5)17(23)24)11-20-18(22-16)21-14-9-7-6-8-10-14/h6-13H,1-5H3,(H,20,21,22)/t13-/m0/s1
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n/an/a 80n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human MARK3 using biotin labeled peptide substrate by HTRF based assay


Bioorg Med Chem Lett 27: 114-120 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.068
BindingDB Entry DOI: 10.7270/Q2N018JC
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 3


(Homo sapiens (Human))
BDBM50209077
PNG
(CHEMBL3884116)
Show SMILES CC[C@H](C)N1C(=O)C(C)(C)c2cnc(Nc3ccc(cc3)-c3nnc(C)[nH]3)nc12 |r|
Show InChI InChI=1S/C21H25N7O/c1-6-12(2)28-18-16(21(4,5)19(28)29)11-22-20(25-18)24-15-9-7-14(8-10-15)17-23-13(3)26-27-17/h7-12H,6H2,1-5H3,(H,22,24,25)(H,23,26,27)/t12-/m0/s1
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n/an/a 80n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of MARK3 (unknown origin)


Bioorg Med Chem Lett 27: 109-113 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.066
BindingDB Entry DOI: 10.7270/Q20867B1
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 3


(Homo sapiens (Human))
BDBM50208922
PNG
(CHEMBL3884253)
Show SMILES CC[C@H](C)N1C(=O)C(C)(C)c2cnc(Nc3cccnc3)nc12 |r|
Show InChI InChI=1S/C17H21N5O/c1-5-11(2)22-14-13(17(3,4)15(22)23)10-19-16(21-14)20-12-7-6-8-18-9-12/h6-11H,5H2,1-4H3,(H,19,20,21)/t11-/m0/s1
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n/an/a 82n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of MARK3 (unknown origin)


Bioorg Med Chem Lett 27: 109-113 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.066
BindingDB Entry DOI: 10.7270/Q20867B1
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
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))
BDBM50208911
PNG
(CHEMBL3884319)
Show SMILES CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
Show InChI InChI=1S/C23H22N4O2/c1-23(2)17-13-24-22(25-14-7-4-3-5-8-14)26-20(17)27(21(23)29)18-12-11-16-15(18)9-6-10-19(16)28/h3-10,13,18,28H,11-12H2,1-2H3,(H,24,25,26)/t18-/m0/s1
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n/an/a 98n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal GST/N-terminal His-tagged AMPK alpha1/beta1/gamma1 expressed in baculovirus expression system


Bioorg Med Chem Lett 27: 114-120 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.068
BindingDB Entry DOI: 10.7270/Q2N018JC
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 3


(Homo sapiens (Human))
BDBM50208922
PNG
(CHEMBL3884253)
Show SMILES CC[C@H](C)N1C(=O)C(C)(C)c2cnc(Nc3cccnc3)nc12 |r|
Show InChI InChI=1S/C17H21N5O/c1-5-11(2)22-14-13(17(3,4)15(22)23)10-19-16(21-14)20-12-7-6-8-18-9-12/h6-11H,5H2,1-4H3,(H,19,20,21)/t11-/m0/s1
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n/an/a 117n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human MARK3 using biotin labeled peptide substrate by HTRF based assay


Bioorg Med Chem Lett 27: 114-120 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.068
BindingDB Entry DOI: 10.7270/Q2N018JC
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 3


(Homo sapiens (Human))
BDBM50209079
PNG
(CHEMBL3885363)
Show SMILES CC[C@H](C)N1C(=O)C(C)(C)c2cnc(Nc3ccc(cc3)S(C)(=O)=O)nc12 |r|
Show InChI InChI=1S/C19H24N4O3S/c1-6-12(2)23-16-15(19(3,4)17(23)24)11-20-18(22-16)21-13-7-9-14(10-8-13)27(5,25)26/h7-12H,6H2,1-5H3,(H,20,21,22)/t12-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of MARK3 (unknown origin)


Bioorg Med Chem Lett 27: 109-113 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.066
BindingDB Entry DOI: 10.7270/Q20867B1
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM50208911
PNG
(CHEMBL3884319)
Show SMILES CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
Show InChI InChI=1S/C23H22N4O2/c1-23(2)17-13-24-22(25-14-7-4-3-5-8-14)26-20(17)27(21(23)29)18-12-11-16-15(18)9-6-10-19(16)28/h3-10,13,18,28H,11-12H2,1-2H3,(H,24,25,26)/t18-/m0/s1
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n/an/a 136n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length His-tagged PDK1 expressed in baculovirus expression system


Bioorg Med Chem Lett 27: 114-120 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.068
BindingDB Entry DOI: 10.7270/Q2N018JC
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
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50208911
PNG
(CHEMBL3884319)
Show SMILES CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
Show InChI InChI=1S/C23H22N4O2/c1-23(2)17-13-24-22(25-14-7-4-3-5-8-14)26-20(17)27(21(23)29)18-12-11-16-15(18)9-6-10-19(16)28/h3-10,13,18,28H,11-12H2,1-2H3,(H,24,25,26)/t18-/m0/s1
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n/an/a 157n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant His-tagged NTRK3 cytoplasmic domain (510 to 825 residues) expressed in baculovirus expression system


Bioorg Med Chem Lett 27: 114-120 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.068
BindingDB Entry DOI: 10.7270/Q2N018JC
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
Aurora kinase B


(Homo sapiens (Human))
BDBM50208911
PNG
(CHEMBL3884319)
Show SMILES CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
Show InChI InChI=1S/C23H22N4O2/c1-23(2)17-13-24-22(25-14-7-4-3-5-8-14)26-20(17)27(21(23)29)18-12-11-16-15(18)9-6-10-19(16)28/h3-10,13,18,28H,11-12H2,1-2H3,(H,24,25,26)/t18-/m0/s1
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n/an/a 163n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length His-tagged AURKB expressed in baculovirus expression system


Bioorg Med Chem Lett 27: 114-120 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.068
BindingDB Entry DOI: 10.7270/Q2N018JC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50208911
PNG
(CHEMBL3884319)
Show SMILES CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
Show InChI InChI=1S/C23H22N4O2/c1-23(2)17-13-24-22(25-14-7-4-3-5-8-14)26-20(17)27(21(23)29)18-12-11-16-15(18)9-6-10-19(16)28/h3-10,13,18,28H,11-12H2,1-2H3,(H,24,25,26)/t18-/m0/s1
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n/an/a 167n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human full length wild type DYKDDDDK-tagged LRRK2 expressed in baculovirus expression system


Bioorg Med Chem Lett 27: 114-120 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.068
BindingDB Entry DOI: 10.7270/Q2N018JC
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
MAP/microtubule affinity-regulating kinase 4


(Homo sapiens (Human))
BDBM50208928
PNG
(CHEMBL3884344)
Show SMILES CC1(C)C(=O)N([C@H]2CCc3c2cccc3NS(C)(=O)=O)c2nc(Nc3ccccc3)ncc12 |r|
Show InChI InChI=1S/C24H25N5O3S/c1-24(2)18-14-25-23(26-15-8-5-4-6-9-15)27-21(18)29(22(24)30)20-13-12-16-17(20)10-7-11-19(16)28-33(3,31)32/h4-11,14,20,28H,12-13H2,1-3H3,(H,25,26,27)/t20-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human MARK4 expressed in HEK293T cells coexpressing tau protein assessed as reduction in tau phosphorylation at Ser262 residues by Alph...


Bioorg Med Chem Lett 27: 114-120 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.068
BindingDB Entry DOI: 10.7270/Q2N018JC
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2/subunit beta-1/subunit gamma-1


(Homo sapiens (Human))
BDBM50208911
PNG
(CHEMBL3884319)
Show SMILES CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|
Show InChI InChI=1S/C23H22N4O2/c1-23(2)17-13-24-22(25-14-7-4-3-5-8-14)26-20(17)27(21(23)29)18-12-11-16-15(18)9-6-10-19(16)28/h3-10,13,18,28H,11-12H2,1-2H3,(H,24,25,26)/t18-/m0/s1
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n/an/a 206n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal GST/N-terminal His-tagged AMPK alpha2/beta1/gamma1 expressed in baculovirus expression system


Bioorg Med Chem Lett 27: 114-120 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.068
BindingDB Entry DOI: 10.7270/Q2N018JC
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 3


(Homo sapiens (Human))
BDBM50208931
PNG
(CHEMBL3883637)
Show SMILES CC1(C)C(=O)N(C2CCCC2)c2nc(Nc3ccccc3)ncc12
Show InChI InChI=1S/C19H22N4O/c1-19(2)15-12-20-18(21-13-8-4-3-5-9-13)22-16(15)23(17(19)24)14-10-6-7-11-14/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3,(H,20,21,22)
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n/an/a 226n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human MARK3 using biotin labeled peptide substrate by HTRF based assay


Bioorg Med Chem Lett 27: 114-120 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.068
BindingDB Entry DOI: 10.7270/Q2N018JC
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
MAP/microtubule affinity-regulating kinase 4


(Homo sapiens (Human))
BDBM50208927
PNG
(CHEMBL3884318)
Show SMILES C[C@H](N1C(=O)C(C)(C)c2cnc(Nc3cccnc3)nc12)c1cccc(O)c1 |r|
Show InChI InChI=1S/C21H21N5O2/c1-13(14-6-4-8-16(27)10-14)26-18-17(21(2,3)19(26)28)12-23-20(25-18)24-15-7-5-9-22-11-15/h4-13,27H,1-3H3,(H,23,24,25)/t13-/m0/s1
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n/an/a 270n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human MARK4 expressed in HEK293T cells coexpressing tau protein assessed as reduction in tau phosphorylation at Ser262 residues by Alph...


Bioorg Med Chem Lett 27: 114-120 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.068
BindingDB Entry DOI: 10.7270/Q2N018JC
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
MAP/microtubule affinity-regulating kinase 3


(Homo sapiens (Human))
BDBM50208918
PNG
(CHEMBL3883802)
Show SMILES CC1(C)C(=O)N(C2CCCCC2)c2nc(Nc3ccccc3)ncc12
Show InChI InChI=1S/C20H24N4O/c1-20(2)16-13-21-19(22-14-9-5-3-6-10-14)23-17(16)24(18(20)25)15-11-7-4-8-12-15/h3,5-6,9-10,13,15H,4,7-8,11-12H2,1-2H3,(H,21,22,23)
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n/an/a 304n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of full length human MARK3 using biotin labeled peptide substrate by HTRF based assay


Bioorg Med Chem Lett 27: 114-120 (2017)


Article DOI: 10.1016/j.bmcl.2016.08.068
BindingDB Entry DOI: 10.7270/Q2N018JC
More data for this
Ligand-Target Pair
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