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Compile Data Set for Download or QSAR

Found 235 hits with Last Name = 'zabierek' and Initial = 'a'   
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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM27774
PNG
(N-[2-amino-5-(thiophen-2-yl)phenyl]-4-{1,8-diazasp...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1cccs1
Show InChI InChI=1S/C26H30N4OS/c27-22-9-8-21(24-3-1-16-32-24)17-23(22)29-25(31)20-6-4-19(5-7-20)18-30-14-11-26(12-15-30)10-2-13-28-26/h1,3-9,16-17,28H,2,10-15,18,27H2,(H,29,31)
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n/an/a 4n/an/an/an/a8.037



Merck Research Laboratories



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 19: 1168-72 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.083
BindingDB Entry DOI: 10.7270/Q2SQ8XQM
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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM27782
PNG
(N-(2-amino-5-phenylphenyl)-4-{1,8-diazaspiro[4.5]d...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)C(=O)N1CCC2(CCCN2)CC1)-c1ccccc1
Show InChI InChI=1S/C28H30N4O2/c29-24-12-11-23(20-5-2-1-3-6-20)19-25(24)31-26(33)21-7-9-22(10-8-21)27(34)32-17-14-28(15-18-32)13-4-16-30-28/h1-3,5-12,19,30H,4,13-18,29H2,(H,31,33)
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n/an/a 8n/an/an/an/a8.037



Merck Research Laboratories



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 19: 1168-72 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.083
BindingDB Entry DOI: 10.7270/Q2SQ8XQM
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM27775
PNG
(N-[2-amino-5-(thiophen-3-yl)phenyl]-4-{1,8-diazasp...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1ccsc1
Show InChI InChI=1S/C26H30N4OS/c27-23-7-6-21(22-8-15-32-18-22)16-24(23)29-25(31)20-4-2-19(3-5-20)17-30-13-10-26(11-14-30)9-1-12-28-26/h2-8,15-16,18,28H,1,9-14,17,27H2,(H,29,31)
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n/an/a 8n/an/an/an/a8.037



Merck Research Laboratories



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 19: 1168-72 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.083
BindingDB Entry DOI: 10.7270/Q2SQ8XQM
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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM27773
PNG
(N-(2-amino-5-phenylphenyl)-4-{1,8-diazaspiro[4.5]d...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1ccccc1
Show InChI InChI=1S/C28H32N4O/c29-25-12-11-24(22-5-2-1-3-6-22)19-26(25)31-27(33)23-9-7-21(8-10-23)20-32-17-14-28(15-18-32)13-4-16-30-28/h1-3,5-12,19,30H,4,13-18,20,29H2,(H,31,33)
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n/an/a 8n/an/an/an/a8.037



Merck Research Laboratories



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 19: 1168-72 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.083
BindingDB Entry DOI: 10.7270/Q2SQ8XQM
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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM27770
PNG
(N-(2-amino-5-phenylphenyl)-4-{[methyl(pyridin-4-yl...)
Show SMILES CN(Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1)c1ccncc1
Show InChI InChI=1S/C26H24N4O/c1-30(23-13-15-28-16-14-23)18-19-7-9-21(10-8-19)26(31)29-25-17-22(11-12-24(25)27)20-5-3-2-4-6-20/h2-17H,18,27H2,1H3,(H,29,31)
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n/an/a 10n/an/an/an/a8.037



Merck Research Laboratories



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 19: 1168-72 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.083
BindingDB Entry DOI: 10.7270/Q2SQ8XQM
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM27769
PNG
(N-(2-amino-5-phenylphenyl)-4-[(pyridin-4-ylamino)m...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNc2ccncc2)cc1)-c1ccccc1
Show InChI InChI=1S/C25H22N4O/c26-23-11-10-21(19-4-2-1-3-5-19)16-24(23)29-25(30)20-8-6-18(7-9-20)17-28-22-12-14-27-15-13-22/h1-16H,17,26H2,(H,27,28)(H,29,30)
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n/an/a 10n/an/an/an/a8.037



Merck Research Laboratories



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 19: 1168-72 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.083
BindingDB Entry DOI: 10.7270/Q2SQ8XQM
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM27762
PNG
(N-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-4-ylamino...)
Show SMILES Oc1ccc(cc1NC(=O)c1ccc(CNc2ccncc2)cc1)-c1ccccc1
Show InChI InChI=1S/C25H21N3O2/c29-24-11-10-21(19-4-2-1-3-5-19)16-23(24)28-25(30)20-8-6-18(7-9-20)17-27-22-12-14-26-15-13-22/h1-16,29H,17H2,(H,26,27)(H,28,30)
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n/an/a 10n/an/an/an/a8.037



Merck Research Laboratories



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 19: 1168-72 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.083
BindingDB Entry DOI: 10.7270/Q2SQ8XQM
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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM27779
PNG
(N-[2-amino-5-(thiophen-2-yl)phenyl]-4-{1,8-diazasp...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)C(=O)N1CCC2(CCCN2)CC1)-c1cccs1
Show InChI InChI=1S/C26H28N4O2S/c27-21-9-8-20(23-3-1-16-33-23)17-22(21)29-24(31)18-4-6-19(7-5-18)25(32)30-14-11-26(12-15-30)10-2-13-28-26/h1,3-9,16-17,28H,2,10-15,27H2,(H,29,31)
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n/an/a 11n/an/an/an/a8.037



Merck Research Laboratories



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 19: 1168-72 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.083
BindingDB Entry DOI: 10.7270/Q2SQ8XQM
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM27780
PNG
(N-[2-amino-5-(2-fluorophenyl)phenyl]-4-{1,8-diazas...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)C(=O)N1CCC2(CCCN2)CC1)-c1ccccc1F
Show InChI InChI=1S/C28H29FN4O2/c29-23-5-2-1-4-22(23)21-10-11-24(30)25(18-21)32-26(34)19-6-8-20(9-7-19)27(35)33-16-13-28(14-17-33)12-3-15-31-28/h1-2,4-11,18,31H,3,12-17,30H2,(H,32,34)
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n/an/a 11n/an/an/an/a8.037



Merck Research Laboratories



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 19: 1168-72 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.083
BindingDB Entry DOI: 10.7270/Q2SQ8XQM
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM27781
PNG
(N-[2-amino-5-(4-fluorophenyl)phenyl]-4-{1,8-diazas...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)C(=O)N1CCC2(CCCN2)CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H29FN4O2/c29-23-9-6-19(7-10-23)22-8-11-24(30)25(18-22)32-26(34)20-2-4-21(5-3-20)27(35)33-16-13-28(14-17-33)12-1-15-31-28/h2-11,18,31H,1,12-17,30H2,(H,32,34)
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n/an/a 12n/an/an/an/a8.037



Merck Research Laboratories



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 19: 1168-72 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.083
BindingDB Entry DOI: 10.7270/Q2SQ8XQM
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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM27778
PNG
(N-[2-amino-5-(4-fluorophenyl)phenyl]-4-{1,8-diazas...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H31FN4O/c29-24-9-6-21(7-10-24)23-8-11-25(30)26(18-23)32-27(34)22-4-2-20(3-5-22)19-33-16-13-28(14-17-33)12-1-15-31-28/h2-11,18,31H,1,12-17,19,30H2,(H,32,34)
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n/an/a 13n/an/an/an/a8.037



Merck Research Laboratories



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 19: 1168-72 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.083
BindingDB Entry DOI: 10.7270/Q2SQ8XQM
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM27771
PNG
(N-(2-amino-5-phenylphenyl)-4-({[(1,5-dimethyl-1H-p...)
Show SMILES Cc1c(CNCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2ccccc2)cnn1C
Show InChI InChI=1S/C26H27N5O/c1-18-23(17-29-31(18)2)16-28-15-19-8-10-21(11-9-19)26(32)30-25-14-22(12-13-24(25)27)20-6-4-3-5-7-20/h3-14,17,28H,15-16,27H2,1-2H3,(H,30,32)
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n/an/a 13n/an/an/an/a8.037



Merck Research Laboratories



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 19: 1168-72 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.083
BindingDB Entry DOI: 10.7270/Q2SQ8XQM
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM27761
PNG
(N-(2-hydroxy-5-phenylphenyl)-4-({[1-(pyridin-4-yl)...)
Show SMILES CC(NCc1ccc(cc1)C(=O)Nc1cc(ccc1O)-c1ccccc1)c1ccncc1
Show InChI InChI=1S/C27H25N3O2/c1-19(21-13-15-28-16-14-21)29-18-20-7-9-23(10-8-20)27(32)30-25-17-24(11-12-26(25)31)22-5-3-2-4-6-22/h2-17,19,29,31H,18H2,1H3,(H,30,32)
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n/an/a 13n/an/an/an/a8.037



Merck Research Laboratories



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 19: 1168-72 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.083
BindingDB Entry DOI: 10.7270/Q2SQ8XQM
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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM27776
PNG
(N-[2-amino-5-(2-fluorophenyl)phenyl]-4-{1,8-diazas...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1ccccc1F
Show InChI InChI=1S/C28H31FN4O/c29-24-5-2-1-4-23(24)22-10-11-25(30)26(18-22)32-27(34)21-8-6-20(7-9-21)19-33-16-13-28(14-17-33)12-3-15-31-28/h1-2,4-11,18,31H,3,12-17,19,30H2,(H,32,34)
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n/an/a 16n/an/an/an/a8.037



Merck Research Laboratories



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 19: 1168-72 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.083
BindingDB Entry DOI: 10.7270/Q2SQ8XQM
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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM27760
PNG
(N-(2-hydroxy-5-phenylphenyl)-4-{[(pyridin-3-ylmeth...)
Show SMILES Oc1ccc(cc1NC(=O)c1ccc(CNCc2cccnc2)cc1)-c1ccccc1
Show InChI InChI=1S/C26H23N3O2/c30-25-13-12-23(21-6-2-1-3-7-21)15-24(25)29-26(31)22-10-8-19(9-11-22)16-28-18-20-5-4-14-27-17-20/h1-15,17,28,30H,16,18H2,(H,29,31)
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n/an/a 32n/an/an/an/a8.037



Merck Research Laboratories



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 19: 1168-72 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.083
BindingDB Entry DOI: 10.7270/Q2SQ8XQM
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM27772
PNG
(N-(2-amino-5-phenylphenyl)-4-{2,8-diazaspiro[4.5]d...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCNC3)CC2)cc1)-c1ccccc1
Show InChI InChI=1S/C28H32N4O/c29-25-11-10-24(22-4-2-1-3-5-22)18-26(25)31-27(33)23-8-6-21(7-9-23)19-32-16-13-28(14-17-32)12-15-30-20-28/h1-11,18,30H,12-17,19-20,29H2,(H,31,33)
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n/an/a 33n/an/an/an/a8.037



Merck Research Laboratories



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 19: 1168-72 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.083
BindingDB Entry DOI: 10.7270/Q2SQ8XQM
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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM27777
PNG
(N-[2-amino-5-(3-fluorophenyl)phenyl]-4-{1,8-diazas...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1cccc(F)c1
Show InChI InChI=1S/C28H31FN4O/c29-24-4-1-3-22(17-24)23-9-10-25(30)26(18-23)32-27(34)21-7-5-20(6-8-21)19-33-15-12-28(13-16-33)11-2-14-31-28/h1,3-10,17-18,31H,2,11-16,19,30H2,(H,32,34)
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n/an/a 47n/an/an/an/a8.037



Merck Research Laboratories



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 19: 1168-72 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.083
BindingDB Entry DOI: 10.7270/Q2SQ8XQM
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
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
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))
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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM27759
PNG
(N-(2-hydroxy-5-phenylphenyl)-4-{[(2-methylpropyl)a...)
Show SMILES CC(C)CNCc1ccc(cc1)C(=O)Nc1cc(ccc1O)-c1ccccc1
Show InChI InChI=1S/C24H26N2O2/c1-17(2)15-25-16-18-8-10-20(11-9-18)24(28)26-22-14-21(12-13-23(22)27)19-6-4-3-5-7-19/h3-14,17,25,27H,15-16H2,1-2H3,(H,26,28)
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n/an/a 112n/an/an/an/a8.037



Merck Research Laboratories



Assay Description
The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...


Bioorg Med Chem Lett 19: 1168-72 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.083
BindingDB Entry DOI: 10.7270/Q2SQ8XQM
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
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