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Compile Data Set for Download or QSAR

Found 74 hits with Last Name = 'navarro' 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
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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4n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Binding affinity for cannabinoid receptor 1 in rat cerebellar membrane


J Med Chem 47: 2939-42 (2004)


Article DOI: 10.1021/jm031099y
BindingDB Entry DOI: 10.7270/Q2DV1KNW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50147009
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-3-hexy...)
Show SMILES CCCCCCc1nc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H20Cl3N3/c1-2-3-4-5-6-19-24-20(14-7-9-15(21)10-8-14)26(25-19)18-12-11-16(22)13-17(18)23/h7-13H,2-6H2,1H3
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748n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Ability to displace [3H]WIN-55212-2 radioligand from cannabinoid receptor 1 in rat cerebellar membrane


J Med Chem 47: 2939-42 (2004)


Article DOI: 10.1021/jm031099y
BindingDB Entry DOI: 10.7270/Q2DV1KNW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Rattus norvegicus (rat))
BDBM50147009
PNG
(5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-3-hexy...)
Show SMILES CCCCCCc1nc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H20Cl3N3/c1-2-3-4-5-6-19-24-20(14-7-9-15(21)10-8-14)26(25-19)18-12-11-16(22)13-17(18)23/h7-13H,2-6H2,1H3
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856n/an/an/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Ability to displace [3H]SR-141,716A radioligand from cannabinoid receptor 1 in rat cerebellar membrane


J Med Chem 47: 2939-42 (2004)


Article DOI: 10.1021/jm031099y
BindingDB Entry DOI: 10.7270/Q2DV1KNW
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8146
PNG
(N-(3,5-dimethylphenyl)-4-{pyrazolo[1,5-a]pyridazin...)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1
Show InChI InChI=1S/C18H16N6/c1-12-8-13(2)10-14(9-12)22-18-19-7-5-16(23-18)15-11-21-24-17(15)4-3-6-20-24/h3-11H,1-2H3,(H,19,22,23)
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n/an/a 1n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate af...


J Med Chem 63: 756-783 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01741
BindingDB Entry DOI: 10.7270/Q2PR809G
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8136
PNG
(N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{pyrazolo[1...)
Show SMILES C1COc2cc(Nc3nccc(n3)-c3cnn4ncccc34)ccc2O1
Show InChI InChI=1S/C18H14N6O2/c1-2-15-13(11-21-24(15)20-6-1)14-5-7-19-18(23-14)22-12-3-4-16-17(10-12)26-9-8-25-16/h1-7,10-11H,8-9H2,(H,19,22,23)
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n/an/a 1n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate af...


J Med Chem 63: 756-783 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01741
BindingDB Entry DOI: 10.7270/Q2PR809G
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8137
PNG
(N-(3,4-difluorophenyl)-4-{pyrazolo[1,5-a]pyridazin...)
Show SMILES Fc1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1F
Show InChI InChI=1S/C16H10F2N6/c17-12-4-3-10(8-13(12)18)22-16-19-7-5-14(23-16)11-9-21-24-15(11)2-1-6-20-24/h1-9H,(H,19,22,23)
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n/an/a 2n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...


J Med Chem 63: 756-783 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01741
BindingDB Entry DOI: 10.7270/Q2PR809G
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8128
PNG
(N-(3-methoxyphenyl)-4-{pyrazolo[1,5-a]pyridazin-3-...)
Show SMILES COc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
Show InChI InChI=1S/C17H14N6O/c1-24-13-5-2-4-12(10-13)21-17-18-9-7-15(22-17)14-11-20-23-16(14)6-3-8-19-23/h2-11H,1H3,(H,18,21,22)
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n/an/a 2n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...


J Med Chem 63: 756-783 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01741
BindingDB Entry DOI: 10.7270/Q2PR809G
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8146
PNG
(N-(3,5-dimethylphenyl)-4-{pyrazolo[1,5-a]pyridazin...)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1
Show InChI InChI=1S/C18H16N6/c1-12-8-13(2)10-14(9-12)22-18-19-7-5-16(23-18)15-11-21-24-17(15)4-3-6-20-24/h3-11H,1-2H3,(H,19,22,23)
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n/an/a 3.20n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...


J Med Chem 63: 756-783 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01741
BindingDB Entry DOI: 10.7270/Q2PR809G
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM92862
PNG
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)
Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3
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n/an/a 5n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR assessed as inhibition of 4EBP1 phosphorylation after 30 mins by TR-FRET analysis


J Med Chem 57: 4834-48 (2014)


Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8126
PNG
(N-phenyl-4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidi...)
Show SMILES N(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12
Show InChI InChI=1S/C16H12N6/c1-2-5-12(6-3-1)20-16-17-10-8-14(21-16)13-11-19-22-15(13)7-4-9-18-22/h1-11H,(H,17,20,21)
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n/an/a 5n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...


J Med Chem 63: 756-783 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01741
BindingDB Entry DOI: 10.7270/Q2PR809G
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8136
PNG
(N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{pyrazolo[1...)
Show SMILES C1COc2cc(Nc3nccc(n3)-c3cnn4ncccc34)ccc2O1
Show InChI InChI=1S/C18H14N6O2/c1-2-15-13(11-21-24(15)20-6-1)14-5-7-19-18(23-14)22-12-3-4-16-17(10-12)26-9-8-25-16/h1-7,10-11H,8-9H2,(H,19,22,23)
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n/an/a 6.30n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...


J Med Chem 63: 756-783 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01741
BindingDB Entry DOI: 10.7270/Q2PR809G
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8137
PNG
(N-(3,4-difluorophenyl)-4-{pyrazolo[1,5-a]pyridazin...)
Show SMILES Fc1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1F
Show InChI InChI=1S/C16H10F2N6/c17-12-4-3-10(8-13(12)18)22-16-19-7-5-14(23-16)11-9-21-24-15(11)2-1-6-20-24/h1-9H,(H,19,22,23)
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n/an/a 10n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate af...


J Med Chem 63: 756-783 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01741
BindingDB Entry DOI: 10.7270/Q2PR809G
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8128
PNG
(N-(3-methoxyphenyl)-4-{pyrazolo[1,5-a]pyridazin-3-...)
Show SMILES COc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
Show InChI InChI=1S/C17H14N6O/c1-24-13-5-2-4-12(10-13)21-17-18-9-7-15(22-17)14-11-20-23-16(14)6-3-8-19-23/h2-11H,1H3,(H,18,21,22)
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n/an/a 10n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate af...


J Med Chem 63: 756-783 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01741
BindingDB Entry DOI: 10.7270/Q2PR809G
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50506295
PNG
(GW801372X)
Show SMILES COc1cc(Nc2nccc(n2)-c2cnn3ncccc23)cc(OC)c1
Show InChI InChI=1S/C18H16N6O2/c1-25-13-8-12(9-14(10-13)26-2)22-18-19-7-5-16(23-18)15-11-21-24-17(15)4-3-6-20-24/h3-11H,1-2H3,(H,19,22,23)
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n/an/a 13n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate af...


J Med Chem 63: 756-783 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01741
BindingDB Entry DOI: 10.7270/Q2PR809G
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM92862
PNG
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)
Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3
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n/an/a 13n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human PI3K-delta assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis


J Med Chem 57: 4834-48 (2014)


Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50506295
PNG
(GW801372X)
Show SMILES COc1cc(Nc2nccc(n2)-c2cnn3ncccc23)cc(OC)c1
Show InChI InChI=1S/C18H16N6O2/c1-25-13-8-12(9-14(10-13)26-2)22-18-19-7-5-16(23-18)15-11-21-24-17(15)4-3-6-20-24/h3-11H,1-2H3,(H,19,22,23)
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n/an/a 16n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...


J Med Chem 63: 756-783 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01741
BindingDB Entry DOI: 10.7270/Q2PR809G
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8126
PNG
(N-phenyl-4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidi...)
Show SMILES N(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12
Show InChI InChI=1S/C16H12N6/c1-2-5-12(6-3-1)20-16-17-10-8-14(21-16)13-11-19-22-15(13)7-4-9-18-22/h1-11H,(H,17,20,21)
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n/an/a 20n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate af...


J Med Chem 63: 756-783 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01741
BindingDB Entry DOI: 10.7270/Q2PR809G
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM92862
PNG
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)
Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3
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n/an/a 20n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human PI3K-alpha assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis


J Med Chem 57: 4834-48 (2014)


Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50506295
PNG
(GW801372X)
Show SMILES COc1cc(Nc2nccc(n2)-c2cnn3ncccc23)cc(OC)c1
Show InChI InChI=1S/C18H16N6O2/c1-25-13-8-12(9-14(10-13)26-2)22-18-19-7-5-16(23-18)15-11-21-24-17(15)4-3-6-20-24/h3-11H,1-2H3,(H,19,22,23)
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n/an/a 20n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human CDK4 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...


J Med Chem 63: 756-783 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01741
BindingDB Entry DOI: 10.7270/Q2PR809G
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8197
PNG
(4-{6-methyl-2-phenylpyrazolo[1,5-a]pyridazin-3-yl}...)
Show SMILES Cc1ccc2c(c(nn2n1)-c1ccccc1)-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C24H17F3N6/c1-15-10-11-20-21(22(32-33(20)31-15)16-6-3-2-4-7-16)19-12-13-28-23(30-19)29-18-9-5-8-17(14-18)24(25,26)27/h2-14H,1H3,(H,28,29,30)
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n/an/a 40n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate af...


J Med Chem 63: 756-783 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01741
BindingDB Entry DOI: 10.7270/Q2PR809G
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8133
PNG
(N-(4-tert-butylphenyl)-4-{pyrazolo[1,5-a]pyridazin...)
Show SMILES CC(C)(C)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
Show InChI InChI=1S/C20H20N6/c1-20(2,3)14-6-8-15(9-7-14)24-19-21-12-10-17(25-19)16-13-23-26-18(16)5-4-11-22-26/h4-13H,1-3H3,(H,21,24,25)
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n/an/a 50n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate af...


J Med Chem 63: 756-783 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01741
BindingDB Entry DOI: 10.7270/Q2PR809G
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8189
PNG
(N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{2-[3-(trif...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc3OCCOc3c2)n1
Show InChI InChI=1S/C25H17F3N6O2/c26-25(27,28)16-4-1-3-15(13-16)23-22(19-5-2-9-30-34(19)33-23)18-8-10-29-24(32-18)31-17-6-7-20-21(14-17)36-12-11-35-20/h1-10,13-14H,11-12H2,(H,29,31,32)
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n/an/a 50n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate af...


J Med Chem 63: 756-783 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01741
BindingDB Entry DOI: 10.7270/Q2PR809G
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8152
PNG
(4-{6-methoxypyrazolo[1,5-a]pyridazin-3-yl}-N-[3-(t...)
Show SMILES COc1ccc2c(cnn2n1)-c1ccnc(Nc2cccc(OC(F)(F)F)c2)n1
Show InChI InChI=1S/C18H13F3N6O2/c1-28-16-6-5-15-13(10-23-27(15)26-16)14-7-8-22-17(25-14)24-11-3-2-4-12(9-11)29-18(19,20)21/h2-10H,1H3,(H,22,24,25)
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n/an/a 50n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate af...


J Med Chem 63: 756-783 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01741
BindingDB Entry DOI: 10.7270/Q2PR809G
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM8128
PNG
(N-(3-methoxyphenyl)-4-{pyrazolo[1,5-a]pyridazin-3-...)
Show SMILES COc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1
Show InChI InChI=1S/C17H14N6O/c1-24-13-5-2-4-12(10-13)21-17-18-9-7-15(22-17)14-11-20-23-16(14)6-3-8-19-23/h2-11H,1H3,(H,18,21,22)
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n/an/a 63n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human CDK4 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...


J Med Chem 63: 756-783 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01741
BindingDB Entry DOI: 10.7270/Q2PR809G
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM92862
PNG
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)
Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3
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n/an/a 100n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human PI3K-gamma assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis


J Med Chem 57: 4834-48 (2014)


Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50018265
PNG
(CHEMBL3290293)
Show SMILES Cn1cc(cn1)-c1ccc2ncc3n(C)c(=O)n(-c4ccc(cc4)C(C)(C)C#N)c3c2c1
Show InChI InChI=1S/C25H22N6O/c1-25(2,15-26)18-6-8-19(9-7-18)31-23-20-11-16(17-12-28-29(3)14-17)5-10-21(20)27-13-22(23)30(4)24(31)32/h5-14H,1-4H3
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n/an/a 126n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human PI3K-gamma assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis


J Med Chem 57: 4834-48 (2014)


Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM8126
PNG
(N-phenyl-4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidi...)
Show SMILES N(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12
Show InChI InChI=1S/C16H12N6/c1-2-5-12(6-3-1)20-16-17-10-8-14(21-16)13-11-19-22-15(13)7-4-9-18-22/h1-11H,(H,17,20,21)
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n/an/a 158n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human CDK4 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...


J Med Chem 63: 756-783 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01741
BindingDB Entry DOI: 10.7270/Q2PR809G
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8133
PNG
(N-(4-tert-butylphenyl)-4-{pyrazolo[1,5-a]pyridazin...)
Show SMILES CC(C)(C)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
Show InChI InChI=1S/C20H20N6/c1-20(2,3)14-6-8-15(9-7-14)24-19-21-12-10-17(25-19)16-13-23-26-18(16)5-4-11-22-26/h4-13H,1-3H3,(H,21,24,25)
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n/an/a 158n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...


J Med Chem 63: 756-783 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01741
BindingDB Entry DOI: 10.7270/Q2PR809G
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM8152
PNG
(4-{6-methoxypyrazolo[1,5-a]pyridazin-3-yl}-N-[3-(t...)
Show SMILES COc1ccc2c(cnn2n1)-c1ccnc(Nc2cccc(OC(F)(F)F)c2)n1
Show InChI InChI=1S/C18H13F3N6O2/c1-28-16-6-5-15-13(10-23-27(15)26-16)14-7-8-22-17(25-14)24-11-3-2-4-12(9-11)29-18(19,20)21/h2-10H,1H3,(H,22,24,25)
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n/an/a 200n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...


J Med Chem 63: 756-783 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01741
BindingDB Entry DOI: 10.7270/Q2PR809G
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50018267
PNG
(CHEMBL3290305)
Show SMILES Cc1ccc(cc1)-n1c2c(cnc3ccc(cc23)-c2ccncc2)n(C)c1=O
Show InChI InChI=1S/C23H18N4O/c1-15-3-6-18(7-4-15)27-22-19-13-17(16-9-11-24-12-10-16)5-8-20(19)25-14-21(22)26(2)23(27)28/h3-14H,1-2H3
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n/an/a 251n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human PI3K-gamma assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis


J Med Chem 57: 4834-48 (2014)


Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM92862
PNG
(US9284315, BEZ-235 | mTOR Inhibitor, BEZ235)
Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1
Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3
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n/an/a 316n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human PI3K-beta assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis


J Med Chem 57: 4834-48 (2014)


Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50018268
PNG
(CHEMBL3290307)
Show SMILES COc1ccc(cc1)-n1c2c(cnc3ccc(cc23)-c2ccncc2)n(C)c1=O
Show InChI InChI=1S/C23H18N4O2/c1-26-21-14-25-20-8-3-16(15-9-11-24-12-10-15)13-19(20)22(21)27(23(26)28)17-4-6-18(29-2)7-5-17/h3-14H,1-2H3
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n/an/a 316n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human PI3K-gamma assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis


J Med Chem 57: 4834-48 (2014)


Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM8136
PNG
(N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{pyrazolo[1...)
Show SMILES C1COc2cc(Nc3nccc(n3)-c3cnn4ncccc34)ccc2O1
Show InChI InChI=1S/C18H14N6O2/c1-2-15-13(11-21-24(15)20-6-1)14-5-7-19-18(23-14)22-12-3-4-16-17(10-12)26-9-8-25-16/h1-7,10-11H,8-9H2,(H,19,22,23)
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n/an/a 316n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human CDK4 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...


J Med Chem 63: 756-783 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01741
BindingDB Entry DOI: 10.7270/Q2PR809G
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50018268
PNG
(CHEMBL3290307)
Show SMILES COc1ccc(cc1)-n1c2c(cnc3ccc(cc23)-c2ccncc2)n(C)c1=O
Show InChI InChI=1S/C23H18N4O2/c1-26-21-14-25-20-8-3-16(15-9-11-24-12-10-15)13-19(20)22(21)27(23(26)28)17-4-6-18(29-2)7-5-17/h3-14H,1-2H3
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n/an/a 380n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR assessed as inhibition of 4EBP1 phosphorylation after 30 mins by TR-FRET analysis


J Med Chem 57: 4834-48 (2014)


Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50018265
PNG
(CHEMBL3290293)
Show SMILES Cn1cc(cn1)-c1ccc2ncc3n(C)c(=O)n(-c4ccc(cc4)C(C)(C)C#N)c3c2c1
Show InChI InChI=1S/C25H22N6O/c1-25(2,15-26)18-6-8-19(9-7-18)31-23-20-11-16(17-12-28-29(3)14-17)5-10-21(20)27-13-22(23)30(4)24(31)32/h5-14H,1-4H3
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n/an/a 398n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human PI3K-alpha assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis


J Med Chem 57: 4834-48 (2014)


Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50018267
PNG
(CHEMBL3290305)
Show SMILES Cc1ccc(cc1)-n1c2c(cnc3ccc(cc23)-c2ccncc2)n(C)c1=O
Show InChI InChI=1S/C23H18N4O/c1-15-3-6-18(7-4-15)27-22-19-13-17(16-9-11-24-12-10-16)5-8-20(19)25-14-21(22)26(2)23(27)28/h3-14H,1-2H3
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n/an/a 468n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR assessed as inhibition of 4EBP1 phosphorylation after 30 mins by TR-FRET analysis


J Med Chem 57: 4834-48 (2014)


Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50018268
PNG
(CHEMBL3290307)
Show SMILES COc1ccc(cc1)-n1c2c(cnc3ccc(cc23)-c2ccncc2)n(C)c1=O
Show InChI InChI=1S/C23H18N4O2/c1-26-21-14-25-20-8-3-16(15-9-11-24-12-10-15)13-19(20)22(21)27(23(26)28)17-4-6-18(29-2)7-5-17/h3-14H,1-2H3
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n/an/a 501n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human PI3K-alpha assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis


J Med Chem 57: 4834-48 (2014)


Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50018267
PNG
(CHEMBL3290305)
Show SMILES Cc1ccc(cc1)-n1c2c(cnc3ccc(cc23)-c2ccncc2)n(C)c1=O
Show InChI InChI=1S/C23H18N4O/c1-15-3-6-18(7-4-15)27-22-19-13-17(16-9-11-24-12-10-16)5-8-20(19)25-14-21(22)26(2)23(27)28/h3-14H,1-2H3
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n/an/a 631n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human PI3K-alpha assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis


J Med Chem 57: 4834-48 (2014)


Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50018265
PNG
(CHEMBL3290293)
Show SMILES Cn1cc(cn1)-c1ccc2ncc3n(C)c(=O)n(-c4ccc(cc4)C(C)(C)C#N)c3c2c1
Show InChI InChI=1S/C25H22N6O/c1-25(2,15-26)18-6-8-19(9-7-18)31-23-20-11-16(17-12-28-29(3)14-17)5-10-21(20)27-13-22(23)30(4)24(31)32/h5-14H,1-4H3
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n/an/a 794n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human PI3K-delta assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis


J Med Chem 57: 4834-48 (2014)


Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50018265
PNG
(CHEMBL3290293)
Show SMILES Cn1cc(cn1)-c1ccc2ncc3n(C)c(=O)n(-c4ccc(cc4)C(C)(C)C#N)c3c2c1
Show InChI InChI=1S/C25H22N6O/c1-25(2,15-26)18-6-8-19(9-7-18)31-23-20-11-16(17-12-28-29(3)14-17)5-10-21(20)27-13-22(23)30(4)24(31)32/h5-14H,1-4H3
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n/an/a 1.18E+3n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR assessed as inhibition of 4EBP1 phosphorylation after 30 mins by TR-FRET analysis


J Med Chem 57: 4834-48 (2014)


Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50232478
PNG
(CHEMBL403233)
Show SMILES O[C@@]12CC\C=C/CCCCN3CC[C@@H](C(=C1)c1nccc4c5ccccc5[nH]c14)[C@]1(C[C@@H]4\C=C/CCCCN4[C@@H]21)C3 |r,c:4,14,36|
Show InChI InChI=1S/C36H44N4O/c41-36-18-10-4-1-2-5-11-20-39-22-17-30(35(25-39)23-26-13-7-3-6-12-21-40(26)34(35)36)29(24-36)32-33-28(16-19-37-32)27-14-8-9-15-31(27)38-33/h1,4,7-9,13-16,19,24,26,30,34,38,41H,2-3,5-6,10-12,17-18,20-23,25H2/b4-1-,13-7-/t26-,30-,34+,35-,36-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p35


J Nat Prod 70: 1397-405 (2007)


Article DOI: 10.1021/np060092r
BindingDB Entry DOI: 10.7270/Q2R78G2K
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM8146
PNG
(N-(3,5-dimethylphenyl)-4-{pyrazolo[1,5-a]pyridazin...)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1
Show InChI InChI=1S/C18H16N6/c1-12-8-13(2)10-14(9-12)22-18-19-7-5-16(23-18)15-11-21-24-17(15)4-3-6-20-24/h3-11H,1-2H3,(H,19,22,23)
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n/an/a 1.59E+3n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human CDK4 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...


J Med Chem 63: 756-783 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01741
BindingDB Entry DOI: 10.7270/Q2PR809G
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50018266
PNG
(CHEMBL3290300)
Show SMILES Cn1c2cnc3ccccc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O
Show InChI InChI=1S/C21H18N4O/c1-21(2,13-22)14-8-10-15(11-9-14)25-19-16-6-4-5-7-17(16)23-12-18(19)24(3)20(25)26/h4-12H,1-3H3
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n/an/a 1.62E+3n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR assessed as inhibition of 4EBP1 phosphorylation after 30 mins by TR-FRET analysis


J Med Chem 57: 4834-48 (2014)


Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50018266
PNG
(CHEMBL3290300)
Show SMILES Cn1c2cnc3ccccc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O
Show InChI InChI=1S/C21H18N4O/c1-21(2,13-22)14-8-10-15(11-9-14)25-19-16-6-4-5-7-17(16)23-12-18(19)24(3)20(25)26/h4-12H,1-3H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human PI3K-gamma assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis


J Med Chem 57: 4834-48 (2014)


Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM8133
PNG
(N-(4-tert-butylphenyl)-4-{pyrazolo[1,5-a]pyridazin...)
Show SMILES CC(C)(C)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1
Show InChI InChI=1S/C20H20N6/c1-20(2,3)14-6-8-15(9-7-14)24-19-21-12-10-17(25-19)16-13-23-26-18(16)5-4-11-22-26/h4-13H,1-3H3,(H,21,24,25)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human CDK4 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...


J Med Chem 63: 756-783 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01741
BindingDB Entry DOI: 10.7270/Q2PR809G
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50018267
PNG
(CHEMBL3290305)
Show SMILES Cc1ccc(cc1)-n1c2c(cnc3ccc(cc23)-c2ccncc2)n(C)c1=O
Show InChI InChI=1S/C23H18N4O/c1-15-3-6-18(7-4-15)27-22-19-13-17(16-9-11-24-12-10-16)5-8-20(19)25-14-21(22)26(2)23(27)28/h3-14H,1-2H3
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n/an/a 2.51E+3n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human PI3K-delta assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis


J Med Chem 57: 4834-48 (2014)


Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50018268
PNG
(CHEMBL3290307)
Show SMILES COc1ccc(cc1)-n1c2c(cnc3ccc(cc23)-c2ccncc2)n(C)c1=O
Show InChI InChI=1S/C23H18N4O2/c1-26-21-14-25-20-8-3-16(15-9-11-24-12-10-15)13-19(20)22(21)27(23(26)28)17-4-6-18(29-2)7-5-17/h3-14H,1-2H3
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n/an/a 2.51E+3n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human PI3K-delta assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis


J Med Chem 57: 4834-48 (2014)


Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50018266
PNG
(CHEMBL3290300)
Show SMILES Cn1c2cnc3ccccc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O
Show InChI InChI=1S/C21H18N4O/c1-21(2,13-22)14-8-10-15(11-9-14)25-19-16-6-4-5-7-17(16)23-12-18(19)24(3)20(25)26/h4-12H,1-3H3
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n/an/a 3.98E+3n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human PI3K-alpha assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis


J Med Chem 57: 4834-48 (2014)


Article DOI: 10.1021/jm500361r
BindingDB Entry DOI: 10.7270/Q2CJ8G1T
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50219735
PNG
(12,13-dehydro-8-O-acetylmanzamine A | CHEMBL252520)
Show SMILES CC(=O)Oc1cccc2c3ccnc(C4=C\C5=C\C\C=C/CCCCN6CCC4[C@]4(C[C@@H]7\C=C/CCCCN7[C@@H]54)C6)c3[nH]c12 |w:28.27,c:19,33,t:14,16|
Show InChI InChI=1S/C38H44N4O2/c1-26(43)44-33-16-12-15-29-30-17-19-39-35(36(30)40-34(29)33)31-23-27-13-8-4-2-3-6-10-20-41-22-18-32(31)38(25-41)24-28-14-9-5-7-11-21-42(28)37(27)38/h2,4,9,12-17,19,23,28,32,37,40H,3,5-8,10-11,18,20-22,24-25H2,1H3/b4-2-,14-9-,27-13-/t28-,32?,37-,38-/m0/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSKbeta


J Nat Prod 70: 1397-405 (2007)


Article DOI: 10.1021/np060092r
BindingDB Entry DOI: 10.7270/Q2R78G2K
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM8181
PNG
(N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(4-metho...)
Show SMILES COc1ccc(cc1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc3OCCOc3c2)n1
Show InChI InChI=1S/C25H20N6O3/c1-32-18-7-4-16(5-8-18)24-23(20-3-2-11-27-31(20)30-24)19-10-12-26-25(29-19)28-17-6-9-21-22(15-17)34-14-13-33-21/h2-12,15H,13-14H2,1H3,(H,26,28,29)
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n/an/a 5.01E+3n/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate af...


J Med Chem 63: 756-783 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01741
BindingDB Entry DOI: 10.7270/Q2PR809G
More data for this
Ligand-Target Pair
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