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Compile Data Set for Download or QSAR

Found 286 hits with Last Name = 'hagiwara' and Initial = 'm'   
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
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM15211
PNG
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)
Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+
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48 -42.5n/an/an/an/an/an/a30



Nagoya University School of Medicine



Assay Description
Protein kinase C, cAMP dependent protein kinase, cGMP dependent protein kinase and myosin light chain kinase activity were measure under conditions d...


J Biol Chem 265: 5267-72 (1990)


BindingDB Entry DOI: 10.7270/Q2QR4VRF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM92607
PNG
(H-88)
Show SMILES O=S(=O)(NCCNC\C=C\c1ccccc1)c1cccc2cnccc12
Show InChI InChI=1S/C20H21N3O2S/c24-26(25,20-10-4-9-18-16-22-13-11-19(18)20)23-15-14-21-12-5-8-17-6-2-1-3-7-17/h1-11,13,16,21,23H,12,14-15H2/b8-5+
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360 -37.4n/an/an/an/an/an/a30



Nagoya University School of Medicine



Assay Description
Protein kinase C, cAMP dependent protein kinase, cGMP dependent protein kinase and myosin light chain kinase activity were measure under conditions d...


J Biol Chem 265: 5267-72 (1990)


BindingDB Entry DOI: 10.7270/Q2QR4VRF
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Homo sapiens (Human))
BDBM15211
PNG
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)
Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+
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480 -36.7n/an/an/an/an/an/a30



Nagoya University School of Medicine



Assay Description
Protein kinase C, cAMP dependent protein kinase, cGMP dependent protein kinase and myosin light chain kinase activity were measure under conditions d...


J Biol Chem 265: 5267-72 (1990)


BindingDB Entry DOI: 10.7270/Q2QR4VRF
More data for this
Ligand-Target Pair
cGMP-dependent protein kinase


(Homo sapiens (Human))
BDBM92607
PNG
(H-88)
Show SMILES O=S(=O)(NCCNC\C=C\c1ccccc1)c1cccc2cnccc12
Show InChI InChI=1S/C20H21N3O2S/c24-26(25,20-10-4-9-18-16-22-13-11-19(18)20)23-15-14-21-12-5-8-17-6-2-1-3-7-17/h1-11,13,16,21,23H,12,14-15H2/b8-5+
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760 -35.5n/an/an/an/an/an/a30



Nagoya University School of Medicine



Assay Description
Protein kinase C, cAMP dependent protein kinase, cGMP dependent protein kinase and myosin light chain kinase activity were measure under conditions d...


J Biol Chem 265: 5267-72 (1990)


BindingDB Entry DOI: 10.7270/Q2QR4VRF
More data for this
Ligand-Target Pair
Myosin light chain kinase


(Homo sapiens (Human))
BDBM15211
PNG
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)
Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+
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2.83E+4 -26.4n/an/an/an/an/an/a30



Nagoya University School of Medicine



Assay Description
Protein kinase C, cAMP dependent protein kinase, cGMP dependent protein kinase and myosin light chain kinase activity were measure under conditions d...


J Biol Chem 265: 5267-72 (1990)


BindingDB Entry DOI: 10.7270/Q2QR4VRF
More data for this
Ligand-Target Pair
CAMK2B


(Homo sapiens (Human))
BDBM15211
PNG
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)
Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+
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2.97E+4 -26.3n/an/an/an/an/an/a30



Nagoya University School of Medicine



Assay Description
Protein kinase C, cAMP dependent protein kinase, cGMP dependent protein kinase and myosin light chain kinase activity were measure under conditions d...


J Biol Chem 265: 5267-72 (1990)


BindingDB Entry DOI: 10.7270/Q2QR4VRF
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM15211
PNG
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)
Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+
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3.17E+4 -26.1n/an/an/an/an/an/a30



Nagoya University School of Medicine



Assay Description
Protein kinase C, cAMP dependent protein kinase, cGMP dependent protein kinase and myosin light chain kinase activity were measure under conditions d...


J Biol Chem 265: 5267-72 (1990)


BindingDB Entry DOI: 10.7270/Q2QR4VRF
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM15211
PNG
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)
Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+
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3.83E+4 -25.6n/an/an/an/an/an/a30



Nagoya University School of Medicine



Assay Description
Protein kinase C, cAMP dependent protein kinase, cGMP dependent protein kinase and myosin light chain kinase activity were measure under conditions d...


J Biol Chem 265: 5267-72 (1990)


BindingDB Entry DOI: 10.7270/Q2QR4VRF
More data for this
Ligand-Target Pair
Myosin light chain kinase


(Homo sapiens (Human))
BDBM92607
PNG
(H-88)
Show SMILES O=S(=O)(NCCNC\C=C\c1ccccc1)c1cccc2cnccc12
Show InChI InChI=1S/C20H21N3O2S/c24-26(25,20-10-4-9-18-16-22-13-11-19(18)20)23-15-14-21-12-5-8-17-6-2-1-3-7-17/h1-11,13,16,21,23H,12,14-15H2/b8-5+
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5.00E+4 -25.0n/an/an/an/an/an/a30



Nagoya University School of Medicine



Assay Description
Protein kinase C, cAMP dependent protein kinase, cGMP dependent protein kinase and myosin light chain kinase activity were measure under conditions d...


J Biol Chem 265: 5267-72 (1990)


BindingDB Entry DOI: 10.7270/Q2QR4VRF
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM92607
PNG
(H-88)
Show SMILES O=S(=O)(NCCNC\C=C\c1ccccc1)c1cccc2cnccc12
Show InChI InChI=1S/C20H21N3O2S/c24-26(25,20-10-4-9-18-16-22-13-11-19(18)20)23-15-14-21-12-5-8-17-6-2-1-3-7-17/h1-11,13,16,21,23H,12,14-15H2/b8-5+
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6.07E+4 -24.5n/an/an/an/an/an/a30



Nagoya University School of Medicine



Assay Description
Protein kinase C, cAMP dependent protein kinase, cGMP dependent protein kinase and myosin light chain kinase activity were measure under conditions d...


J Biol Chem 265: 5267-72 (1990)


BindingDB Entry DOI: 10.7270/Q2QR4VRF
More data for this
Ligand-Target Pair
CAMK2B


(Homo sapiens (Human))
BDBM92607
PNG
(H-88)
Show SMILES O=S(=O)(NCCNC\C=C\c1ccccc1)c1cccc2cnccc12
Show InChI InChI=1S/C20H21N3O2S/c24-26(25,20-10-4-9-18-16-22-13-11-19(18)20)23-15-14-21-12-5-8-17-6-2-1-3-7-17/h1-11,13,16,21,23H,12,14-15H2/b8-5+
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7.13E+4 -24.1n/an/an/an/an/an/a30



Nagoya University School of Medicine



Assay Description
Protein kinase C, cAMP dependent protein kinase, cGMP dependent protein kinase and myosin light chain kinase activity were measure under conditions d...


J Biol Chem 265: 5267-72 (1990)


BindingDB Entry DOI: 10.7270/Q2QR4VRF
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM92607
PNG
(H-88)
Show SMILES O=S(=O)(NCCNC\C=C\c1ccccc1)c1cccc2cnccc12
Show InChI InChI=1S/C20H21N3O2S/c24-26(25,20-10-4-9-18-16-22-13-11-19(18)20)23-15-14-21-12-5-8-17-6-2-1-3-7-17/h1-11,13,16,21,23H,12,14-15H2/b8-5+
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7.57E+4 -23.9n/an/an/an/an/an/a30



Nagoya University School of Medicine



Assay Description
Protein kinase C, cAMP dependent protein kinase, cGMP dependent protein kinase and myosin light chain kinase activity were measure under conditions d...


J Biol Chem 265: 5267-72 (1990)


BindingDB Entry DOI: 10.7270/Q2QR4VRF
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM92607
PNG
(H-88)
Show SMILES O=S(=O)(NCCNC\C=C\c1ccccc1)c1cccc2cnccc12
Show InChI InChI=1S/C20H21N3O2S/c24-26(25,20-10-4-9-18-16-22-13-11-19(18)20)23-15-14-21-12-5-8-17-6-2-1-3-7-17/h1-11,13,16,21,23H,12,14-15H2/b8-5+
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1.04E+5 -23.1n/an/an/an/an/an/a30



Nagoya University School of Medicine



Assay Description
Protein kinase C, cAMP dependent protein kinase, cGMP dependent protein kinase and myosin light chain kinase activity were measure under conditions d...


J Biol Chem 265: 5267-72 (1990)


BindingDB Entry DOI: 10.7270/Q2QR4VRF
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM15211
PNG
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)
Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+
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1.37E+5 -22.4n/an/an/an/an/an/a30



Nagoya University School of Medicine



Assay Description
Protein kinase C, cAMP dependent protein kinase, cGMP dependent protein kinase and myosin light chain kinase activity were measure under conditions d...


J Biol Chem 265: 5267-72 (1990)


BindingDB Entry DOI: 10.7270/Q2QR4VRF
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50280346
PNG
((S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyla...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(F)(F)F)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C30H39F3N6O6S/c1-46-14-12-22(26(35)42)38-29(45)24(16-18-5-3-2-4-6-18)37-25(41)17-36-28(44)23(11-13-30(31,32)33)39-27(43)21(34)15-19-7-9-20(40)10-8-19/h2-10,21-24,40H,11-17,34H2,1H3,(H2,35,42)(H,36,44)(H,37,41)(H,38,45)(H,39,43)/t21-,22-,23-,24-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against enkephalin mu receptor using [3H]-PL-017 as ligand in rat cerebrum in vitro


Bioorg Med Chem Lett 2: 219-222 (1992)


Article DOI: 10.1016/S0960-894X(01)81068-4
BindingDB Entry DOI: 10.7270/Q2D50MVQ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50019056
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against enkephalin delta receptor using [3H]-DPDPE as ligand in rat cerebrum in vitro


Bioorg Med Chem Lett 2: 219-222 (1992)


Article DOI: 10.1016/S0960-894X(01)81068-4
BindingDB Entry DOI: 10.7270/Q2D50MVQ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50280346
PNG
((S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyla...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCC(F)(F)F)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O
Show InChI InChI=1S/C30H39F3N6O6S/c1-46-14-12-22(26(35)42)38-29(45)24(16-18-5-3-2-4-6-18)37-25(41)17-36-28(44)23(11-13-30(31,32)33)39-27(43)21(34)15-19-7-9-20(40)10-8-19/h2-10,21-24,40H,11-17,34H2,1H3,(H2,35,42)(H,36,44)(H,37,41)(H,38,45)(H,39,43)/t21-,22-,23-,24-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against enkephalin delta receptor using [3H]-DPDPE as ligand in rat cerebrum in vitro


Bioorg Med Chem Lett 2: 219-222 (1992)


Article DOI: 10.1016/S0960-894X(01)81068-4
BindingDB Entry DOI: 10.7270/Q2D50MVQ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50019056
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against enkephalin mu receptor using [3H]-PL-017 as ligand in rat cerebrum in vitro


Bioorg Med Chem Lett 2: 219-222 (1992)


Article DOI: 10.1016/S0960-894X(01)81068-4
BindingDB Entry DOI: 10.7270/Q2D50MVQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50120880
PNG
(2-[(2-{2-[2-Amino-3-(3-hydroxy-phenyl)-propionylam...)
Show SMILES C[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1cccc(O)c1)C(O)=O
Show InChI InChI=1S/C28H39N7O6/c1-17(27(40)41)35(2)26(39)23(16-18-8-4-3-5-9-18)34-25(38)22(12-7-13-32-28(30)31)33-24(37)21(29)15-19-10-6-11-20(36)14-19/h3-6,8-11,14,17,21-23,36H,7,12-13,15-16,29H2,1-2H3,(H,33,37)(H,34,38)(H,40,41)(H4,30,31,32)/t17-,21-,22-,23-/m0/s1
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n/an/a 10.2n/an/an/an/an/an/a



Daiichi Fine Chemical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor mu 1 by the displacement of [3H]-DAMGO in mouse spinal cord


J Med Chem 45: 5081-9 (2002)


BindingDB Entry DOI: 10.7270/Q290233R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50120878
PNG
(2-[(2-{5-Guanidino-2-[2-guanidino-3-(3-hydroxy-phe...)
Show SMILES [#6]-[#6@H](-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccc(-[#8])c1)\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C29H41N9O6/c1-17(27(43)44)38(2)26(42)23(15-18-8-4-3-5-9-18)36-24(40)21(12-7-13-34-28(30)31)35-25(41)22(37-29(32)33)16-19-10-6-11-20(39)14-19/h3-6,8-11,14,17,21-23,39H,7,12-13,15-16H2,1-2H3,(H,35,41)(H,36,40)(H,43,44)(H4,30,31,34)(H4,32,33,37)/t17-,21-,22-,23-/m0/s1
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Daiichi Fine Chemical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor mu 1 by the displacement of [3H]-DAMGO in mouse spinal cord


J Med Chem 45: 5081-9 (2002)


BindingDB Entry DOI: 10.7270/Q290233R
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50347750
PNG
(CHEMBL1802358)
Show SMILES O=C1NC(Nc2ccccc2)=NC1=Cc1ccc2OCOc2c1 |w:13.15,c:11|
Show InChI InChI=1S/C17H13N3O3/c21-16-13(8-11-6-7-14-15(9-11)23-10-22-14)19-17(20-16)18-12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,19,20,21)
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Universite£? de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4172-86 (2011)


Article DOI: 10.1021/jm200274d
BindingDB Entry DOI: 10.7270/Q27D2VHR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50120875
PNG
(2-(2-{5-Guanidino-2-[2-guanidino-3-(3-hydroxy-phen...)
Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccc(-[#8])c1)\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
Show InChI InChI=1S/C28H39N9O6/c1-16(26(42)43)34-24(40)21(14-17-7-3-2-4-8-17)36-23(39)20(11-6-12-33-27(29)30)35-25(41)22(37-28(31)32)15-18-9-5-10-19(38)13-18/h2-5,7-10,13,16,20-22,38H,6,11-12,14-15H2,1H3,(H,34,40)(H,35,41)(H,36,39)(H,42,43)(H4,29,30,33)(H4,31,32,37)/t16-,20-,21-,22-/m0/s1
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Daiichi Fine Chemical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor mu 1 by the displacement of [3H]-DAMGO in mouse spinal cord


J Med Chem 45: 5081-9 (2002)


BindingDB Entry DOI: 10.7270/Q290233R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50120876
PNG
(6-Amino-2-[(2-{5-guanidino-2-[2-guanidino-3-(3-hyd...)
Show SMILES [#6]-[#7](-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O)-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccc(-[#8])c1)\[#7]=[#6](/[#7])-[#7]
Show InChI InChI=1S/C32H48N10O6/c1-42(26(30(47)48)14-5-6-15-33)29(46)25(18-20-9-3-2-4-10-20)40-27(44)23(13-8-16-38-31(34)35)39-28(45)24(41-32(36)37)19-21-11-7-12-22(43)17-21/h2-4,7,9-12,17,23-26,43H,5-6,8,13-16,18-19,33H2,1H3,(H,39,45)(H,40,44)(H,47,48)(H4,34,35,38)(H4,36,37,41)/t23-,24-,25-,26-/m0/s1
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Daiichi Fine Chemical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor mu 1 by the displacement of [3H]-DAMGO in mouse spinal cord


J Med Chem 45: 5081-9 (2002)


BindingDB Entry DOI: 10.7270/Q290233R
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50347750
PNG
(CHEMBL1802358)
Show SMILES O=C1NC(Nc2ccccc2)=NC1=Cc1ccc2OCOc2c1 |w:13.15,c:11|
Show InChI InChI=1S/C17H13N3O3/c21-16-13(8-11-6-7-14-15(9-11)23-10-22-14)19-17(20-16)18-12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,19,20,21)
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Universite£? de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK2 using KKISGRLSPIMTEQ as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4172-86 (2011)


Article DOI: 10.1021/jm200274d
BindingDB Entry DOI: 10.7270/Q27D2VHR
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50347748
PNG
(CHEMBL1802356)
Show SMILES O=C1NC(Nc2ccc3OCOc3c2)=NC1=Cc1ccc2OCOc2c1 |w:16.19,c:15|
Show InChI InChI=1S/C18H13N3O5/c22-17-12(5-10-1-3-13-15(6-10)25-8-23-13)20-18(21-17)19-11-2-4-14-16(7-11)26-9-24-14/h1-7H,8-9H2,(H2,19,20,21,22)
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Universite£? de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK2 using KKISGRLSPIMTEQ as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4172-86 (2011)


Article DOI: 10.1021/jm200274d
BindingDB Entry DOI: 10.7270/Q27D2VHR
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50347750
PNG
(CHEMBL1802358)
Show SMILES O=C1NC(Nc2ccccc2)=NC1=Cc1ccc2OCOc2c1 |w:13.15,c:11|
Show InChI InChI=1S/C17H13N3O3/c21-16-13(8-11-6-7-14-15(9-11)23-10-22-14)19-17(20-16)18-12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,19,20,21)
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Universite£? de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using KKISGRLSPIMTEQ as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4172-86 (2011)


Article DOI: 10.1021/jm200274d
BindingDB Entry DOI: 10.7270/Q27D2VHR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50120877
PNG
(2-[(2-{5-Guanidino-2-[3-(3-hydroxy-phenyl)-2-methy...)
Show SMILES CN[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](C)C(O)=O
Show InChI InChI=1S/C29H41N7O6/c1-18(28(41)42)36(3)27(40)24(16-19-9-5-4-6-10-19)35-25(38)22(13-8-14-33-29(30)31)34-26(39)23(32-2)17-20-11-7-12-21(37)15-20/h4-7,9-12,15,18,22-24,32,37H,8,13-14,16-17H2,1-3H3,(H,34,39)(H,35,38)(H,41,42)(H4,30,31,33)/t18-,22-,23-,24-/m0/s1
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Daiichi Fine Chemical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor mu 1 by the displacement of [3H]-DAMGO in mouse spinal cord


J Med Chem 45: 5081-9 (2002)


BindingDB Entry DOI: 10.7270/Q290233R
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50347744
PNG
(CHEMBL1803083)
Show SMILES O=C1NC(NCC2CC2)=NC1=Cc1ccc2OCOc2c1 |w:11.13,c:9|
Show InChI InChI=1S/C15H15N3O3/c19-14-11(17-15(18-14)16-7-9-1-2-9)5-10-3-4-12-13(6-10)21-8-20-12/h3-6,9H,1-2,7-8H2,(H2,16,17,18,19)
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Universite£? de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK2 using KKISGRLSPIMTEQ as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4172-86 (2011)


Article DOI: 10.1021/jm200274d
BindingDB Entry DOI: 10.7270/Q27D2VHR
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50347746
PNG
(CHEMBL1803085)
Show SMILES Oc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:9.9,t:6|
Show InChI InChI=1S/C17H13N3O4/c21-12-4-2-11(3-5-12)18-17-19-13(16(22)20-17)7-10-1-6-14-15(8-10)24-9-23-14/h1-8,21H,9H2,(H2,18,19,20,22)
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Universite£? de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK2 using KKISGRLSPIMTEQ as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4172-86 (2011)


Article DOI: 10.1021/jm200274d
BindingDB Entry DOI: 10.7270/Q27D2VHR
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50347746
PNG
(CHEMBL1803085)
Show SMILES Oc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:9.9,t:6|
Show InChI InChI=1S/C17H13N3O4/c21-12-4-2-11(3-5-12)18-17-19-13(16(22)20-17)7-10-1-6-14-15(8-10)24-9-23-14/h1-8,21H,9H2,(H2,18,19,20,22)
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Universite£? de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4172-86 (2011)


Article DOI: 10.1021/jm200274d
BindingDB Entry DOI: 10.7270/Q27D2VHR
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50347745
PNG
(CHEMBL1803084)
Show SMILES Cc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:9.9,t:6|
Show InChI InChI=1S/C18H15N3O3/c1-11-2-5-13(6-3-11)19-18-20-14(17(22)21-18)8-12-4-7-15-16(9-12)24-10-23-15/h2-9H,10H2,1H3,(H2,19,20,21,22)
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Universite£? de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK2 using KKISGRLSPIMTEQ as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4172-86 (2011)


Article DOI: 10.1021/jm200274d
BindingDB Entry DOI: 10.7270/Q27D2VHR
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50347748
PNG
(CHEMBL1802356)
Show SMILES O=C1NC(Nc2ccc3OCOc3c2)=NC1=Cc1ccc2OCOc2c1 |w:16.19,c:15|
Show InChI InChI=1S/C18H13N3O5/c22-17-12(5-10-1-3-13-15(6-10)25-8-23-13)20-18(21-17)19-11-2-4-14-16(7-11)26-9-24-14/h1-7H,8-9H2,(H2,19,20,21,22)
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Universite£? de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using KKISGRLSPIMTEQ as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4172-86 (2011)


Article DOI: 10.1021/jm200274d
BindingDB Entry DOI: 10.7270/Q27D2VHR
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50347769
PNG
(CHEMBL1802852)
Show SMILES COCCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C |w:8.8,t:5|
Show InChI InChI=1S/C15H17N3O4/c1-18-14(19)11(17-15(18)16-5-6-20-2)7-10-3-4-12-13(8-10)22-9-21-12/h3-4,7-8H,5-6,9H2,1-2H3,(H,16,17)
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Universite£? de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4172-86 (2011)


Article DOI: 10.1021/jm200274d
BindingDB Entry DOI: 10.7270/Q27D2VHR
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50347747
PNG
(CHEMBL1802355)
Show SMILES COc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:10.10,t:7|
Show InChI InChI=1S/C18H15N3O4/c1-23-13-5-3-12(4-6-13)19-18-20-14(17(22)21-18)8-11-2-7-15-16(9-11)25-10-24-15/h2-9H,10H2,1H3,(H2,19,20,21,22)
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Universite£? de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK2 using KKISGRLSPIMTEQ as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4172-86 (2011)


Article DOI: 10.1021/jm200274d
BindingDB Entry DOI: 10.7270/Q27D2VHR
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50347772
PNG
(CHEMBL1802855)
Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCN1CCOCC1 |w:5.5,c:17|
Show InChI InChI=1S/C18H22N4O4/c1-21-17(23)14(10-13-2-3-15-16(11-13)26-12-25-15)20-18(21)19-4-5-22-6-8-24-9-7-22/h2-3,10-11H,4-9,12H2,1H3,(H,19,20)
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Universite£? de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4172-86 (2011)


Article DOI: 10.1021/jm200274d
BindingDB Entry DOI: 10.7270/Q27D2VHR
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50347744
PNG
(CHEMBL1803083)
Show SMILES O=C1NC(NCC2CC2)=NC1=Cc1ccc2OCOc2c1 |w:11.13,c:9|
Show InChI InChI=1S/C15H15N3O3/c19-14-11(17-15(18-14)16-7-9-1-2-9)5-10-3-4-12-13(6-10)21-8-20-12/h3-6,9H,1-2,7-8H2,(H2,16,17,18,19)
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Universite£? de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4172-86 (2011)


Article DOI: 10.1021/jm200274d
BindingDB Entry DOI: 10.7270/Q27D2VHR
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50347778
PNG
(CHEMBL1803069)
Show SMILES CN1C(Nc2ccccc2)=NC(=Cc2ccc3OCOc3c2)C1=O |w:12.13,c:10|
Show InChI InChI=1S/C18H15N3O3/c1-21-17(22)14(20-18(21)19-13-5-3-2-4-6-13)9-12-7-8-15-16(10-12)24-11-23-15/h2-10H,11H2,1H3,(H,19,20)
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Universite£? de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4172-86 (2011)


Article DOI: 10.1021/jm200274d
BindingDB Entry DOI: 10.7270/Q27D2VHR
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50347746
PNG
(CHEMBL1803085)
Show SMILES Oc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:9.9,t:6|
Show InChI InChI=1S/C17H13N3O4/c21-12-4-2-11(3-5-12)18-17-19-13(16(22)20-17)7-10-1-6-14-15(8-10)24-9-23-14/h1-8,21H,9H2,(H2,18,19,20,22)
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n/an/a 96n/an/an/an/an/an/a



Universite£? de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using KKISGRLSPIMTEQ as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4172-86 (2011)


Article DOI: 10.1021/jm200274d
BindingDB Entry DOI: 10.7270/Q27D2VHR
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50347744
PNG
(CHEMBL1803083)
Show SMILES O=C1NC(NCC2CC2)=NC1=Cc1ccc2OCOc2c1 |w:11.13,c:9|
Show InChI InChI=1S/C15H15N3O3/c19-14-11(17-15(18-14)16-7-9-1-2-9)5-10-3-4-12-13(6-10)21-8-20-12/h3-6,9H,1-2,7-8H2,(H2,16,17,18,19)
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Universite£? de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using KKISGRLSPIMTEQ as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4172-86 (2011)


Article DOI: 10.1021/jm200274d
BindingDB Entry DOI: 10.7270/Q27D2VHR
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50347761
PNG
(CHEMBL1803072)
Show SMILES CN1C(Nc2ccc3OCOc3c2)=NC(=Cc2ccc3OCOc3c2)C1=O |w:15.17,c:14|
Show InChI InChI=1S/C19H15N3O5/c1-22-18(23)13(6-11-2-4-14-16(7-11)26-9-24-14)21-19(22)20-12-3-5-15-17(8-12)27-10-25-15/h2-8H,9-10H2,1H3,(H,20,21)
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n/an/a 100n/an/an/an/an/an/a



Universite£? de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK2 using KKISGRLSPIMTEQ as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4172-86 (2011)


Article DOI: 10.1021/jm200274d
BindingDB Entry DOI: 10.7270/Q27D2VHR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50120879
PNG
(2-[(2-{2-[2-Dimethylamino-3-(3-hydroxy-phenyl)-pro...)
Show SMILES C[C@H](N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cccc(O)c1)N(C)C)C(O)=O
Show InChI InChI=1S/C30H43N7O6/c1-19(29(42)43)37(4)28(41)24(17-20-10-6-5-7-11-20)35-26(39)23(14-9-15-33-30(31)32)34-27(40)25(36(2)3)18-21-12-8-13-22(38)16-21/h5-8,10-13,16,19,23-25,38H,9,14-15,17-18H2,1-4H3,(H,34,40)(H,35,39)(H,42,43)(H4,31,32,33)/t19-,23-,24-,25-/m0/s1
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n/an/a 101n/an/an/an/an/an/a



Daiichi Fine Chemical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor mu 1 by the displacement of [3H]-DAMGO in mouse spinal cord


J Med Chem 45: 5081-9 (2002)


BindingDB Entry DOI: 10.7270/Q290233R
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50347747
PNG
(CHEMBL1802355)
Show SMILES COc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:10.10,t:7|
Show InChI InChI=1S/C18H15N3O4/c1-23-13-5-3-12(4-6-13)19-18-20-14(17(22)21-18)8-11-2-7-15-16(9-11)25-10-24-15/h2-9H,10H2,1H3,(H2,19,20,21,22)
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n/an/a 110n/an/an/an/an/an/a



Universite£? de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using KKISGRLSPIMTEQ as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4172-86 (2011)


Article DOI: 10.1021/jm200274d
BindingDB Entry DOI: 10.7270/Q27D2VHR
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50347749
PNG
(CHEMBL1802357)
Show SMILES O=C1NC(Nc2ccc3OCCOc3c2)=NC1=Cc1ccc2OCOc2c1 |w:17.20,c:16|
Show InChI InChI=1S/C19H15N3O5/c23-18-13(7-11-1-3-15-16(8-11)27-10-26-15)21-19(22-18)20-12-2-4-14-17(9-12)25-6-5-24-14/h1-4,7-9H,5-6,10H2,(H2,20,21,22,23)
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Universite£? de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK2 using KKISGRLSPIMTEQ as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4172-86 (2011)


Article DOI: 10.1021/jm200274d
BindingDB Entry DOI: 10.7270/Q27D2VHR
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50347740
PNG
(CHEMBL1803079)
Show SMILES CCCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1 |w:7.7,t:4|
Show InChI InChI=1S/C14H15N3O3/c1-2-5-15-14-16-10(13(18)17-14)6-9-3-4-11-12(7-9)20-8-19-11/h3-4,6-7H,2,5,8H2,1H3,(H2,15,16,17,18)
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Universite£? de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK2 using KKISGRLSPIMTEQ as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4172-86 (2011)


Article DOI: 10.1021/jm200274d
BindingDB Entry DOI: 10.7270/Q27D2VHR
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50347762
PNG
(CHEMBL1803073)
Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1Nc1ccc2OCCOc2c1 |w:5.5,c:17|
Show InChI InChI=1S/C20H17N3O5/c1-23-19(24)14(8-12-2-4-16-17(9-12)28-11-27-16)22-20(23)21-13-3-5-15-18(10-13)26-7-6-25-15/h2-5,8-10H,6-7,11H2,1H3,(H,21,22)
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Universite£? de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK2 using KKISGRLSPIMTEQ as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4172-86 (2011)


Article DOI: 10.1021/jm200274d
BindingDB Entry DOI: 10.7270/Q27D2VHR
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50347768
PNG
(CHEMBL1802851)
Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCO |w:5.5,c:17|
Show InChI InChI=1S/C14H15N3O4/c1-17-13(19)10(16-14(17)15-4-5-18)6-9-2-3-11-12(7-9)21-8-20-11/h2-3,6-7,18H,4-5,8H2,1H3,(H,15,16)
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Universite£? de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4172-86 (2011)


Article DOI: 10.1021/jm200274d
BindingDB Entry DOI: 10.7270/Q27D2VHR
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50347763
PNG
(CHEMBL1802846)
Show SMILES CC(C)CNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C |w:8.8,t:5|
Show InChI InChI=1S/C16H19N3O3/c1-10(2)8-17-16-18-12(15(20)19(16)3)6-11-4-5-13-14(7-11)22-9-21-13/h4-7,10H,8-9H2,1-3H3,(H,17,18)
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Universite£? de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4172-86 (2011)


Article DOI: 10.1021/jm200274d
BindingDB Entry DOI: 10.7270/Q27D2VHR
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50347740
PNG
(CHEMBL1803079)
Show SMILES CCCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1 |w:7.7,t:4|
Show InChI InChI=1S/C14H15N3O3/c1-2-5-15-14-16-10(13(18)17-14)6-9-3-4-11-12(7-9)20-8-19-11/h3-4,6-7H,2,5,8H2,1H3,(H2,15,16,17,18)
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Universite£? de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4172-86 (2011)


Article DOI: 10.1021/jm200274d
BindingDB Entry DOI: 10.7270/Q27D2VHR
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50347766
PNG
(CHEMBL1802849)
Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCC1CC1 |w:5.5,c:17|
Show InChI InChI=1S/C16H17N3O3/c1-19-15(20)12(18-16(19)17-8-10-2-3-10)6-11-4-5-13-14(7-11)22-9-21-13/h4-7,10H,2-3,8-9H2,1H3,(H,17,18)
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Universite£? de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4172-86 (2011)


Article DOI: 10.1021/jm200274d
BindingDB Entry DOI: 10.7270/Q27D2VHR
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50347758
PNG
(CHEMBL1802845)
Show SMILES CCCCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C |w:8.8,t:5|
Show InChI InChI=1S/C16H19N3O3/c1-3-4-7-17-16-18-12(15(20)19(16)2)8-11-5-6-13-14(9-11)22-10-21-13/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,17,18)
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Universite£? de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4172-86 (2011)


Article DOI: 10.1021/jm200274d
BindingDB Entry DOI: 10.7270/Q27D2VHR
More data for this
Ligand-Target Pair
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