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Compile Data Set for Download or QSAR

Found 244 hits with Last Name = 'okamoto' 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
Alpha-mannosidase 2


(Rattus norvegicus)		BDBM50016703
PNG
(2-Hydroxymethyl-pyrrolidine-3,4-diol | BDBM5003148...)
Show SMILES OC[C@H]1NC[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2/t3-,4-,5?/m1/s1
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 3.50E+4n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Competitive Inhibitory activity against Golgi Alpha-mannosidase II

J Med Chem 38: 2349-56 (1995)


BindingDB Entry DOI: 10.7270/Q2N878T0
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Rattus norvegicus)		BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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<5.00E+4n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Competitive Inhibitory activity against Golgi Alpha-mannosidase II

J Med Chem 38: 2349-56 (1995)


BindingDB Entry DOI: 10.7270/Q2N878T0
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Rattus norvegicus)		BDBM18355
PNG
((2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-...)
Show SMILES CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
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<5.00E+4n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Competitive Inhibitory activity against Golgi Alpha-mannosidase II

J Med Chem 38: 2349-56 (1995)


BindingDB Entry DOI: 10.7270/Q2N878T0
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Rattus norvegicus)		BDBM18353
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-methylpiperidine...)
Show SMILES CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C7H15NO4/c1-8-2-5(10)7(12)6(11)4(8)3-9/h4-7,9-12H,2-3H2,1H3/t4-,5+,6-,7-/m1/s1
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<5.00E+4n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Competitive Inhibitory activity against Golgi Alpha-mannosidase II

J Med Chem 38: 2349-56 (1995)


BindingDB Entry DOI: 10.7270/Q2N878T0
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Rattus norvegicus)		BDBM50031480
PNG
((2R,3R,4R)-2-Hydroxymethyl-1-methyl-pyrrolidine-3,...)
Show SMILES CN1C[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C6H13NO3/c1-7-2-5(9)6(10)4(7)3-8/h4-6,8-10H,2-3H2,1H3/t4-,5-,6-/m1/s1
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 5.10E+4n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Competitive Inhibitory activity against Golgi Alpha-mannosidase II

J Med Chem 38: 2349-56 (1995)


BindingDB Entry DOI: 10.7270/Q2N878T0
More data for this
Ligand-Target Pair
Alpha-mannosidase 2


(Rattus norvegicus)		BDBM50031484
PNG
((2R,3R,4R)-1-Butyl-2-hydroxymethyl-pyrrolidine-3,4...)
Show SMILES CCCCN1C[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C9H19NO3/c1-2-3-4-10-5-8(12)9(13)7(10)6-11/h7-9,11-13H,2-6H2,1H3/t7-,8-,9-/m1/s1
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 1.20E+5n/an/an/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Competitive Inhibitory activity against Golgi Alpha-mannosidase II

J Med Chem 38: 2349-56 (1995)


BindingDB Entry DOI: 10.7270/Q2N878T0
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50088301
PNG
((E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-be...)
Show SMILES Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 |c:15|
Show InChI InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1
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n/an/a 1.40n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory effect on Chemokine binding to C-C chemokine receptor type 5 using [125I]-RANTES

J Med Chem 43: 2049-63 (2000)


BindingDB Entry DOI: 10.7270/Q26D5S75
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50088321
PNG
(CHEMBL292548 | Dimethyl-(tetrahydro-pyran-4-yl)-{4...)
Show SMILES Cc1ccc(cc1)-c1ccc2OCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 |c:15|
Show InChI InChI=1S/C32H36N2O3/c1-23-4-8-25(9-5-23)26-10-13-31-28(20-26)21-27(14-19-37-31)32(35)33-29-11-6-24(7-12-29)22-34(2,3)30-15-17-36-18-16-30/h4-13,20-21,30H,14-19,22H2,1-3H3/p+1
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n/an/a 1.40n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory effect on Chemokine binding to C-C chemokine receptor type 5 using [125I]-RANTES

J Med Chem 43: 2049-63 (2000)


BindingDB Entry DOI: 10.7270/Q26D5S75
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50088302
PNG
(CHEMBL56565 | Dimethyl-(tetrahydro-pyran-4-yl)-(4-...)
Show SMILES C[N+](C)(Cc1ccc(NC(=O)C2=Cc3cc(ccc3OCC2)-c2ccc(cc2)C(F)(F)F)cc1)C1CCOCC1 |t:11|
Show InChI InChI=1S/C32H33F3N2O3/c1-37(2,29-14-16-39-17-15-29)21-22-3-10-28(11-4-22)36-31(38)25-13-18-40-30-12-7-24(19-26(30)20-25)23-5-8-27(9-6-23)32(33,34)35/h3-12,19-20,29H,13-18,21H2,1-2H3/p+1
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n/an/a 1.5n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory effect on Chemokine binding to C-C chemokine receptor type 5 using [125I]-RANTES

J Med Chem 43: 2049-63 (2000)


BindingDB Entry DOI: 10.7270/Q26D5S75
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50088301
PNG
((E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-be...)
Show SMILES Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 |c:15|
Show InChI InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1
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n/an/a 1.80n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory effect on Chemokine binding to C-C chemokine receptor type 5 using [125I]-RANTES

J Med Chem 43: 2049-63 (2000)


BindingDB Entry DOI: 10.7270/Q26D5S75
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50088322
PNG
((4-{[7-(4-Ethoxy-phenyl)-2,3-dihydro-benzo[b]oxepi...)
Show SMILES CCOc1ccc(cc1)-c1ccc2OCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 |c:17|
Show InChI InChI=1S/C33H38N2O4/c1-4-38-31-12-7-25(8-13-31)26-9-14-32-28(21-26)22-27(15-20-39-32)33(36)34-29-10-5-24(6-11-29)23-35(2,3)30-16-18-37-19-17-30/h5-14,21-22,30H,4,15-20,23H2,1-3H3/p+1
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n/an/a 1.80n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory effect on Chemokine binding to C-C chemokine receptor type 5 using [125I]-RANTES

J Med Chem 43: 2049-63 (2000)


BindingDB Entry DOI: 10.7270/Q26D5S75
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50088319
PNG
(CHEMBL62339 | Dimethyl-(4-{[3-(4-piperidin-1-yl-ph...)
Show SMILES C[N+](C)(Cc1ccc(NC(=O)C2=Cc3cc(ccc3CCC2)-c2ccc(cc2)N2CCCCC2)cc1)C1CCOCC1 |t:11|
Show InChI InChI=1S/C37H45N3O2/c1-40(2,36-19-23-42-24-20-36)27-28-9-15-34(16-10-28)38-37(41)32-8-6-7-29-11-12-31(25-33(29)26-32)30-13-17-35(18-14-30)39-21-4-3-5-22-39/h9-18,25-26,36H,3-8,19-24,27H2,1-2H3/p+1
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n/an/a 2.20n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory effect on Chemokine binding to C-C chemokine receptor type 5 using [125I]-RANTES

J Med Chem 43: 2049-63 (2000)


BindingDB Entry DOI: 10.7270/Q26D5S75
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50064157
PNG
(CHEMBL3401132)
Show SMILES [H][C@@]12COC[C@@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r|
Show InChI InChI=1S/C16H17FN4O3/c1-20-15(22)6-12(10-2-3-18-7-11(10)17)19-16(20)21-4-5-24-14-9-23-8-13(14)21/h2-3,6-7,13-14H,4-5,8-9H2,1H3/t13-,14-/m1/s1
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n/an/a 3.10n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...

Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50088311
PNG
(CHEMBL61208 | Dimethyl-(tetrahydro-thiopyran-4-yl)...)
Show SMILES Cc1ccc(cc1)-c1ccc2OCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCSCC2)cc1 |c:15|
Show InChI InChI=1S/C32H36N2O2S/c1-23-4-8-25(9-5-23)26-10-13-31-28(20-26)21-27(14-17-36-31)32(35)33-29-11-6-24(7-12-29)22-34(2,3)30-15-18-37-19-16-30/h4-13,20-21,30H,14-19,22H2,1-3H3/p+1
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n/an/a 3.10n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory effect on Chemokine binding to C-C chemokine receptor type 5 using [125I]-RANTES

J Med Chem 43: 2049-63 (2000)


BindingDB Entry DOI: 10.7270/Q26D5S75
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50088306
PNG
((1-Ethyl-propyl)-dimethyl-{4-[(7-p-tolyl-2,3-dihyd...)
Show SMILES CCC(CC)[N+](C)(C)Cc1ccc(NC(=O)C2=Cc3cc(ccc3OCC2)-c2ccc(C)cc2)cc1 |t:16|
Show InChI InChI=1S/C32H38N2O2/c1-6-30(7-2)34(4,5)22-24-10-15-29(16-11-24)33-32(35)27-18-19-36-31-17-14-26(20-28(31)21-27)25-12-8-23(3)9-13-25/h8-17,20-21,30H,6-7,18-19,22H2,1-5H3/p+1
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n/an/a 3.30n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory effect on Chemokine binding to C-C chemokine receptor type 5 using [125I]-RANTES

J Med Chem 43: 2049-63 (2000)


BindingDB Entry DOI: 10.7270/Q26D5S75
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50064156
PNG
(CHEMBL3401131)
Show SMILES [H][C@@]12CCCC[C@@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r|
Show InChI InChI=1S/C18H21FN4O2/c1-22-17(24)10-14(12-6-7-20-11-13(12)19)21-18(22)23-8-9-25-16-5-3-2-4-15(16)23/h6-7,10-11,15-16H,2-5,8-9H2,1H3/t15-,16-/m1/s1
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n/an/a 3.70n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...

Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50088312
PNG
(CHEMBL62180 | Dimethyl-(4-{[3-(4-pyrrolidin-1-yl-p...)
Show SMILES C[N+](C)(Cc1ccc(NC(=O)C2=Cc3cc(ccc3CCC2)-c2ccc(cc2)N2CCCC2)cc1)C1CCOCC1 |t:11|
Show InChI InChI=1S/C36H43N3O2/c1-39(2,35-18-22-41-23-19-35)26-27-8-14-33(15-9-27)37-36(40)31-7-5-6-28-10-11-30(24-32(28)25-31)29-12-16-34(17-13-29)38-20-3-4-21-38/h8-17,24-25,35H,3-7,18-23,26H2,1-2H3/p+1
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n/an/a 3.80n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory effect on Chemokine binding to C-C chemokine receptor type 5 using [125I]-RANTES

J Med Chem 43: 2049-63 (2000)


BindingDB Entry DOI: 10.7270/Q26D5S75
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50064154
PNG
(CHEMBL3401129)
Show SMILES [H][C@@]12CCC[C@@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r|
Show InChI InChI=1S/C17H19FN4O2/c1-21-16(23)9-13(11-5-6-19-10-12(11)18)20-17(21)22-7-8-24-15-4-2-3-14(15)22/h5-6,9-10,14-15H,2-4,7-8H2,1H3/t14-,15-/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...

Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50088325
PNG
(CHEMBL62598 | Dimethyl-(4-oxo-cyclohexyl)-{4-[(7-p...)
Show SMILES Cc1ccc(cc1)-c1ccc2OCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCC(=O)CC2)cc1 |c:15|
Show InChI InChI=1S/C33H36N2O3/c1-23-4-8-25(9-5-23)26-10-17-32-28(20-26)21-27(18-19-38-32)33(37)34-29-11-6-24(7-12-29)22-35(2,3)30-13-15-31(36)16-14-30/h4-12,17,20-21,30H,13-16,18-19,22H2,1-3H3/p+1
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n/an/a 4.5n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory effect on Chemokine binding to C-C chemokine receptor type 5 using [125I]-RANTES

J Med Chem 43: 2049-63 (2000)


BindingDB Entry DOI: 10.7270/Q26D5S75
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50064152
PNG
(CHEMBL3401127)
Show SMILES C[C@H]1OCCN([C@@H]1C)c1nc(cc(=O)n1C)-c1ccncc1F |r|
Show InChI InChI=1S/C16H19FN4O2/c1-10-11(2)23-7-6-21(10)16-19-14(8-15(22)20(16)3)12-4-5-18-9-13(12)17/h4-5,8-11H,6-7H2,1-3H3/t10-,11-/m1/s1
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n/an/a 4.90n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...

Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50088315
PNG
((3-Hydroxy-propyl)-dimethyl-{4-[(7-p-tolyl-2,3-dih...)
Show SMILES Cc1ccc(cc1)-c1ccc2OCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)CCCO)cc1 |c:15|
Show InChI InChI=1S/C30H34N2O3/c1-22-5-9-24(10-6-22)25-11-14-29-27(19-25)20-26(15-18-35-29)30(34)31-28-12-7-23(8-13-28)21-32(2,3)16-4-17-33/h5-14,19-20,33H,4,15-18,21H2,1-3H3/p+1
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n/an/a 6.80n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory effect on Chemokine binding to C-C chemokine receptor type 5 using [125I]-RANTES

J Med Chem 43: 2049-63 (2000)


BindingDB Entry DOI: 10.7270/Q26D5S75
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50064143
PNG
(CHEMBL3401118)
Show SMILES C[C@@H]1COCCN1c1nc(cc(=O)n1C)-c1ccncc1F |r|
Show InChI InChI=1S/C15H17FN4O2/c1-10-9-22-6-5-20(10)15-18-13(7-14(21)19(15)2)11-3-4-17-8-12(11)16/h3-4,7-8,10H,5-6,9H2,1-2H3/t10-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...

Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50064153
PNG
(CHEMBL3401128)
Show SMILES CC1N(CCOC1(C)C)c1nc(cc(=O)n1C)-c1ccncc1F
Show InChI InChI=1S/C17H21FN4O2/c1-11-17(2,3)24-8-7-22(11)16-20-14(9-15(23)21(16)4)12-5-6-19-10-13(12)18/h5-6,9-11H,7-8H2,1-4H3
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n/an/a 9.70n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...

Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50443871
PNG
(CHEMBL3091536)
Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCO[C@H](C1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C19H18FN5O2/c1-24-18(26)10-16(15-6-7-21-12-22-15)23-19(24)25-8-9-27-17(11-25)13-2-4-14(20)5-3-13/h2-7,10,12,17H,8-9,11H2,1H3/t17-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...

Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50064142
PNG
(CHEMBL3401117)
Show SMILES Cn1c(nc(cc1=O)-c1ccncc1F)N1CCOC(C1)C1CCC1
Show InChI InChI=1S/C18H21FN4O2/c1-22-17(24)9-15(13-5-6-20-10-14(13)19)21-18(22)23-7-8-25-16(11-23)12-3-2-4-12/h5-6,9-10,12,16H,2-4,7-8,11H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...

Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50064141
PNG
(CHEMBL3401116)
Show SMILES CCCCC1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncc1F
Show InChI InChI=1S/C18H23FN4O2/c1-3-4-5-13-12-23(8-9-25-13)18-21-16(10-17(24)22(18)2)14-6-7-20-11-15(14)19/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...

Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50064145
PNG
(CHEMBL3401120)
Show SMILES CC(C)[C@@H]1COCCN1c1nc(cc(=O)n1C)-c1ccncc1F |r|
Show InChI InChI=1S/C17H21FN4O2/c1-11(2)15-10-24-7-6-22(15)17-20-14(8-16(23)21(17)3)12-4-5-19-9-13(12)18/h4-5,8-9,11,15H,6-7,10H2,1-3H3/t15-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...

Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))		BDBM50334268
PNG
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)
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n/an/a 14n/an/an/an/an/an/a



PharmaDesign, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ASK1 assessed as phosphorylated fluorescent peptide by mobility shift assay

Bioorg Med Chem 19: 486-9 (2011)


Article DOI: 10.1016/j.bmc.2010.11.004
BindingDB Entry DOI: 10.7270/Q2JH3MGM
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))		BDBM50334269
PNG
(4-tert-butyl-N-(imidazo[1,2-a]quinolin-2-yl)benzam...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2c(ccc3ccccc23)n1
Show InChI InChI=1S/C22H21N3O/c1-22(2,3)17-11-8-16(9-12-17)21(26)24-19-14-25-18-7-5-4-6-15(18)10-13-20(25)23-19/h4-14H,1-3H3,(H,24,26)
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n/an/a 15n/an/an/an/an/an/a



PharmaDesign, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ASK1 assessed as phosphorylated fluorescent peptide by mobility shift assay

Bioorg Med Chem 19: 486-9 (2011)


Article DOI: 10.1016/j.bmc.2010.11.004
BindingDB Entry DOI: 10.7270/Q2JH3MGM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50064150
PNG
(CHEMBL3401125)
Show SMILES C[C@@H]1OCCN([C@@H]1C)c1nc(cc(=O)n1C)-c1ccncc1F |r|
Show InChI InChI=1S/C16H19FN4O2/c1-10-11(2)23-7-6-21(10)16-19-14(8-15(22)20(16)3)12-4-5-18-9-13(12)17/h4-5,8-11H,6-7H2,1-3H3/t10-,11+/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...

Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50064150
PNG
(CHEMBL3401125)
Show SMILES C[C@@H]1OCCN([C@@H]1C)c1nc(cc(=O)n1C)-c1ccncc1F |r|
Show InChI InChI=1S/C16H19FN4O2/c1-10-11(2)23-7-6-21(10)16-19-14(8-15(22)20(16)3)12-4-5-18-9-13(12)17/h4-5,8-11H,6-7H2,1-3H3/t10-,11+/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...

Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50064140
PNG
(CHEMBL3401115)
Show SMILES CC(C)C1CN(CCO1)c1nc(cc(=O)n1C)-c1ccncc1F
Show InChI InChI=1S/C17H21FN4O2/c1-11(2)15-10-22(6-7-24-15)17-20-14(8-16(23)21(17)3)12-4-5-19-9-13(12)18/h4-5,8-9,11,15H,6-7,10H2,1-3H3
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n/an/a 17n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...

Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50064144
PNG
(CHEMBL3401119)
Show SMILES CC[C@@H]1COCCN1c1nc(cc(=O)n1C)-c1ccncc1F |r|
Show InChI InChI=1S/C16H19FN4O2/c1-3-11-10-23-7-6-21(11)16-19-14(8-15(22)20(16)2)12-4-5-18-9-13(12)17/h4-5,8-9,11H,3,6-7,10H2,1-2H3/t11-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...

Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50064151
PNG
(CHEMBL3401126)
Show SMILES C[C@@H]1OCCN([C@H]1C)c1nc(cc(=O)n1C)-c1ccncc1F |r|
Show InChI InChI=1S/C16H19FN4O2/c1-10-11(2)23-7-6-21(10)16-19-14(8-15(22)20(16)3)12-4-5-18-9-13(12)17/h4-5,8-11H,6-7H2,1-3H3/t10-,11-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...

Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))		BDBM50334270
PNG
(2-methyl-2-(4-(6-(thiophen-3-yl)imidazo[1,2-a]pyri...)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-c1ccsc1
Show InChI InChI=1S/C22H19N3O3S/c1-22(2,21(27)28)17-6-3-14(4-7-17)20(26)24-18-12-25-11-15(5-8-19(25)23-18)16-9-10-29-13-16/h3-13H,1-2H3,(H,24,26)(H,27,28)
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n/an/a 19n/an/an/an/an/an/a



PharmaDesign, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ASK1 assessed as phosphorylated fluorescent peptide by mobility shift assay

Bioorg Med Chem 19: 486-9 (2011)


Article DOI: 10.1016/j.bmc.2010.11.004
BindingDB Entry DOI: 10.7270/Q2JH3MGM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50064146
PNG
(CHEMBL3401121)
Show SMILES C[C@H]1COCCN1c1nc(cc(=O)n1C)-c1ccncc1F |r|
Show InChI InChI=1S/C15H17FN4O2/c1-10-9-22-6-5-20(10)15-18-13(7-14(21)19(15)2)11-3-4-17-8-12(11)16/h3-4,7-8,10H,5-6,9H2,1-2H3/t10-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...

Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50088320
PNG
(1-Methyl-1-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycl...)
Show SMILES Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+]2(C)CCCCC2)cc1 |c:15|
Show InChI InChI=1S/C32H36N2O/c1-24-9-13-27(14-10-24)28-16-15-26-7-6-8-29(22-30(26)21-28)32(35)33-31-17-11-25(12-18-31)23-34(2)19-4-3-5-20-34/h9-18,21-22H,3-8,19-20,23H2,1-2H3/p+1
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n/an/a 25n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory effect on Chemokine binding to C-C chemokine receptor type 5 using [125I]-RANTES

J Med Chem 43: 2049-63 (2000)


BindingDB Entry DOI: 10.7270/Q26D5S75
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50088301
PNG
((E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-be...)
Show SMILES Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 |c:15|
Show InChI InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1
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n/an/a 27n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory effect of the compound on the binding of [125I]- MCP-1 to C-C chemokine receptor type 2-expressing CHO cells

J Med Chem 43: 2049-63 (2000)


BindingDB Entry DOI: 10.7270/Q26D5S75
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50064147
PNG
(CHEMBL3401122)
Show SMILES CC[C@H]1COCCN1c1nc(cc(=O)n1C)-c1ccncc1F |r|
Show InChI InChI=1S/C16H19FN4O2/c1-3-11-10-23-7-6-21(11)16-19-14(8-15(22)20(16)2)12-4-5-18-9-13(12)17/h4-5,8-9,11H,3,6-7,10H2,1-2H3/t11-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...

Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50064155
PNG
(CHEMBL3401130)
Show SMILES [H][C@]12CCC[C@]1([H])N(CCO2)c1nc(cc(=O)n1C)-c1ccncc1F |r|
Show InChI InChI=1S/C17H19FN4O2/c1-21-16(23)9-13(11-5-6-19-10-12(11)18)20-17(21)22-7-8-24-15-4-2-3-14(15)22/h5-6,9-10,14-15H,2-4,7-8H2,1H3/t14-,15-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...

Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))		BDBM18353
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-methylpiperidine...)
Show SMILES CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C7H15NO4/c1-8-2-5(10)7(12)6(11)4(8)3-9/h4-7,9-12H,2-3H2,1H3/t4-,5+,6-,7-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of Sucrase in rat intestinal brush border membranes by D-glucose oxidase-peroxidase method

J Med Chem 38: 2349-56 (1995)


BindingDB Entry DOI: 10.7270/Q2N878T0
More data for this
Ligand-Target Pair
Sucrase-isomaltase, intestinal


(Rattus norvegicus (Rat))		BDBM18353
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-methylpiperidine...)
Show SMILES CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C7H15NO4/c1-8-2-5(10)7(12)6(11)4(8)3-9/h4-7,9-12H,2-3H2,1H3/t4-,5+,6-,7-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Hokuriku University

Curated by ChEMBL


Assay Description
Inhibition of Sucrase in rat intestinal brush border membranes by D-glucose oxidase-peroxidase method

J Med Chem 38: 2349-56 (1995)


BindingDB Entry DOI: 10.7270/Q2N878T0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50064149
PNG
(CHEMBL3401124)
Show SMILES C[C@H]1CN([C@H](C)CO1)c1nc(cc(=O)n1C)-c1ccncc1F |r|
Show InChI InChI=1S/C16H19FN4O2/c1-10-9-23-11(2)8-21(10)16-19-14(6-15(22)20(16)3)12-4-5-18-7-13(12)17/h4-7,10-11H,8-9H2,1-3H3/t10-,11+/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...

Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
C-C chemokine receptor type 5


(Homo sapiens (Human))		BDBM50088309
PNG
(1-Methyl-1-{4-[(7-p-tolyl-2,3-dihydro-benzo[b]oxep...)
Show SMILES Cc1ccc(cc1)-c1ccc2OCCC(=Cc2c1)C(=O)Nc1ccc(C[N+]2(C)CCCCC2)cc1 |c:15|
Show InChI InChI=1S/C31H34N2O2/c1-23-6-10-25(11-7-23)26-12-15-30-28(20-26)21-27(16-19-35-30)31(34)32-29-13-8-24(9-14-29)22-33(2)17-4-3-5-18-33/h6-15,20-21H,3-5,16-19,22H2,1-2H3/p+1
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n/an/a 43n/an/an/an/an/an/a



Takeda Chemical Industries, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory effect on Chemokine binding to C-C chemokine receptor type 5 using [125I]-RANTES

J Med Chem 43: 2049-63 (2000)


BindingDB Entry DOI: 10.7270/Q26D5S75
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50344203
PNG
(5-Amino-3-[[3-(3-aminophenyl)-5-methyl-1H-pyrrol-2...)
Show SMILES Cc1cc(c(\C=C2/C(=O)Nc3ccc(N)cc23)[nH]1)-c1cccc(N)c1
Show InChI InChI=1S/C20H18N4O/c1-11-7-15(12-3-2-4-13(21)8-12)19(23-11)10-17-16-9-14(22)5-6-18(16)24-20(17)25/h2-10,23H,21-22H2,1H3,(H,24,25)/b17-10-
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n/an/a 51n/an/an/an/an/an/a



PharmaDesign, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK using FL-Peptide 13, 5-FAM-KKSRGDYMTMQIG-CONH2 substrate after 60 mins by mobility shift assay

Bioorg Med Chem 19: 3086-95 (2011)


Article DOI: 10.1016/j.bmc.2011.04.008
BindingDB Entry DOI: 10.7270/Q2JQ11B3
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50344205
PNG
(3-[[3-(3-Aminophenyl)-5-methyl-1H-pyrrol-2-yl]meth...)
Show SMILES Cc1cc(c(\C=C2/C(=O)Nc3ccccc23)[nH]1)-c1cccc(N)c1
Show InChI InChI=1S/C20H17N3O/c1-12-9-16(13-5-4-6-14(21)10-13)19(22-12)11-17-15-7-2-3-8-18(15)23-20(17)24/h2-11,22H,21H2,1H3,(H,23,24)/b17-11-
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n/an/a 62n/an/an/an/an/an/a



PharmaDesign, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK using FL-Peptide 13, 5-FAM-KKSRGDYMTMQIG-CONH2 substrate after 60 mins by mobility shift assay

Bioorg Med Chem 19: 3086-95 (2011)


Article DOI: 10.1016/j.bmc.2011.04.008
BindingDB Entry DOI: 10.7270/Q2JQ11B3
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM50064139
PNG
(CHEMBL3401114)
Show SMILES Cn1c(nc(cc1=O)-c1ccncc1F)N1CCOCC1
Show InChI InChI=1S/C14H15FN4O2/c1-18-13(20)8-12(10-2-3-16-9-11(10)15)17-14(18)19-4-6-21-7-5-19/h2-3,8-9H,4-7H2,1H3
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n/an/a 67n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta assessed as inhibition of [gamma32P]ATP after 1 hr by liquid scintillation counting in presence of prephosph...

Bioorg Med Chem Lett 25: 1086-91 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.005
BindingDB Entry DOI: 10.7270/Q2WD428R
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor


(Homo sapiens (Human))		BDBM50344202
PNG
(5-Amino-3-[[3-(4-aminophenyl)-5-methyl-1H-pyrrol-2...)
Show SMILES Cc1cc(c(\C=C2/C(=O)Nc3ccc(N)cc23)[nH]1)-c1ccc(N)cc1
Show InChI InChI=1S/C20H18N4O/c1-11-8-15(12-2-4-13(21)5-3-12)19(23-11)10-17-16-9-14(22)6-7-18(16)24-20(17)25/h2-10,23H,21-22H2,1H3,(H,24,25)/b17-10-
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n/an/a 68n/an/an/an/an/an/a



PharmaDesign, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ALK using FL-Peptide 13, 5-FAM-KKSRGDYMTMQIG-CONH2 substrate after 60 mins by mobility shift assay

Bioorg Med Chem 19: 3086-95 (2011)


Article DOI: 10.1016/j.bmc.2011.04.008
BindingDB Entry DOI: 10.7270/Q2JQ11B3
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50339636
PNG
(1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...)
Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1
Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)
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n/an/a 80n/an/an/an/an/an/a



Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis after 2 hrs trans-well migration assay

J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
BindingDB Entry DOI: 10.7270/Q28K79DQ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))		BDBM50339636
PNG
(1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-d...)
Show SMILES CC(C)Oc1cccc(NC(=O)NC(=O)c2cc3c(C)nn(C)c3nc2N(C)CCN(C)C)c1
Show InChI InChI=1S/C24H33N7O3/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33)
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n/an/a 80n/an/an/an/an/an/a



Telik, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 in human THP1 cells assessed as inhibition of CCL2-induced chemotaxis

J Med Chem 54: 1667-81 (2011)


Article DOI: 10.1021/jm1012903
BindingDB Entry DOI: 10.7270/Q28K79DQ
More data for this
Ligand-Target Pair
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