Found 139 hits Enz. Inhib. hit(s) with all data for entry = 50002789 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Protein kinase C beta type
(Homo sapiens (Human)) | BDBM17055
((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10| Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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Patents
Similars
| Article PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of DAG-activated human PKCbeta1 after 10 mins in presence of [32P]ATP by beta scintillation counting method |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Protein kinase C beta type
(Homo sapiens (Human)) | BDBM17055
((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10| Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of DAG-activated human PKCbeta2 after 10 mins in presence of [32P]ATP by beta scintillation counting method |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Protein kinase C beta type
(Homo sapiens (Human)) | BDBM50128285
(3-(1-Methyl-1H-indol-3-yl)-4-[1-(1-pyridin-2-ylmet...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of PKCbeta (unknown origin) |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Rattus norvegicus (rat)) | BDBM3175
(3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of Wistar rat GSK-3beta using RRAAEELDSRAGS(P)PQL as substrate after 15 mins in presence of [gamma-32P]-ATP by scintillation counting meth... |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta/[Tau protein] kinase
(Sus scrofa) | BDBM2605
((Arylindolyl)maleimide deriv. 27 | 3-(1-methyl-1H-...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ncccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C21H16N4O2/c1-24-10-14(12-6-3-4-8-16(12)24)17-18(21(27)23-20(17)26)15-11-25(2)19-13(15)7-5-9-22-19/h3-11H,1-2H3,(H,23,26,27) | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM50128285
(3-(1-Methyl-1H-indol-3-yl)-4-[1-(1-pyridin-2-ylmet...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of PKCalpha (unknown origin) |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM2605
((Arylindolyl)maleimide deriv. 27 | 3-(1-methyl-1H-...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ncccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C21H16N4O2/c1-24-10-14(12-6-3-4-8-16(12)24)17-18(21(27)23-20(17)26)15-11-25(2)19-13(15)7-5-9-22-19/h3-11H,1-2H3,(H,23,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of recombinant full length human CDK9/cyclin T expressed in baculovirus infected Sf9 insect cells using YSPTSPSYSPTSPSYSPTSPSKKKK as subst... |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Protein kinase C gamma type
(Homo sapiens (Human)) | BDBM50128285
(3-(1-Methyl-1H-indol-3-yl)-4-[1-(1-pyridin-2-ylmet...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of PKCgamma (unknown origin) |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM2605
((Arylindolyl)maleimide deriv. 27 | 3-(1-methyl-1H-...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ncccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C21H16N4O2/c1-24-10-14(12-6-3-4-8-16(12)24)17-18(21(27)23-20(17)26)15-11-25(2)19-13(15)7-5-9-22-19/h3-11H,1-2H3,(H,23,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of full length human CDK2/cyclin A using histone H1 as substrate in presence of [gamma-33P]ATP |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Protein kinase C epsilon type
(Homo sapiens (Human)) | BDBM50128285
(3-(1-Methyl-1H-indol-3-yl)-4-[1-(1-pyridin-2-ylmet...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of PKCepsilon (unknown origin) |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta/[Tau protein] kinase
(Sus scrofa) | BDBM50463034
(CHEMBL4238971)Show SMILES O=C1NC(=O)C(=C1c1cn(CCCCCC#N)c2ccccc12)c1cn(CCCCCC#N)c2ccccc12 |c:5| Show InChI InChI=1S/C32H31N5O2/c33-17-9-1-3-11-19-36-21-25(23-13-5-7-15-27(23)36)29-30(32(39)35-31(29)38)26-22-37(20-12-4-2-10-18-34)28-16-8-6-14-24(26)28/h5-8,13-16,21-22H,1-4,9-12,19-20H2,(H,35,38,39) | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta/[Tau protein] kinase
(Sus scrofa) | BDBM50463027
(CHEMBL4242235)Show SMILES Cn1cc(C2=C(C(=O)N(O)C2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C21H15N3O3/c1-23-11-15(13-7-3-5-9-17(13)23)19-18(20(25)24(27)21(19)26)14-10-22-16-8-4-2-6-12(14)16/h2-11,22,27H,1H3 | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta/[Tau protein] kinase
(Sus scrofa) | BDBM50463030
(CHEMBL4239321)Show SMILES CC(C)n1cc(C2=C(C(=O)N(O)C2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:6| Show InChI InChI=1S/C24H21N3O3/c1-14(2)26-13-18(16-9-5-7-11-20(16)26)22-21(23(28)27(30)24(22)29)17-12-25(3)19-10-6-4-8-15(17)19/h4-14,30H,1-3H3 | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM17055
((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10| Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of PIM1 (unknown origin) |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta/[Tau protein] kinase
(Sus scrofa) | BDBM50463035
(CHEMBL4245590)Show SMILES Cn1cc(C2=C(C(=O)N(O)C2=O)c2cn(CCCCCC#N)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C27H24N4O3/c1-29-16-20(18-10-4-6-12-22(18)29)24-25(27(33)31(34)26(24)32)21-17-30(15-9-3-2-8-14-28)23-13-7-5-11-19(21)23/h4-7,10-13,16-17,34H,2-3,8-9,15H2,1H3 | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Protein kinase C gamma type
(Homo sapiens (Human)) | BDBM17055
((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10| Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of DAG-activated human PKCgamma after 10 mins in presence of [32P]ATP by beta scintillation counting method |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta/[Tau protein] kinase
(Sus scrofa) | BDBM50463036
(CHEMBL4246062)Show SMILES CCn1cc(C2=C(C(=O)N(O)C2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:5| Show InChI InChI=1S/C23H19N3O3/c1-3-25-13-17(15-9-5-7-11-19(15)25)21-20(22(27)26(29)23(21)28)16-12-24(2)18-10-6-4-8-14(16)18/h4-13,29H,3H2,1-2H3 | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Rattus norvegicus (rat)) | BDBM2683
(2-[1-(3-dimethylaminopropyl)-indol-3-yl]-3-(indol-...)Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9| Show InChI InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of Wistar rat GSK-3beta using RRAAEELDSRAGS(P)PQL as substrate after 15 mins in presence of [gamma-32P]-ATP by scintillation counting meth... |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Protein kinase C alpha type
(Homo sapiens (Human)) | BDBM17055
((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10| Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of DAG-activated human PKCalpha after 10 mins in presence of [32P]ATP by beta scintillation counting method |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta/[Tau protein] kinase
(Sus scrofa) | BDBM50463028
(CHEMBL4238883)Show SMILES CCn1cc(C2=C(C(=O)N(O)C2=O)c2cn(C(C)C)c3ccccc23)c2ccccc12 |t:5| Show InChI InChI=1S/C25H23N3O3/c1-4-26-13-18(16-9-5-7-11-20(16)26)22-23(25(30)28(31)24(22)29)19-14-27(15(2)3)21-12-8-6-10-17(19)21/h5-15,31H,4H2,1-3H3 | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50463034
(CHEMBL4238971)Show SMILES O=C1NC(=O)C(=C1c1cn(CCCCCC#N)c2ccccc12)c1cn(CCCCCC#N)c2ccccc12 |c:5| Show InChI InChI=1S/C32H31N5O2/c33-17-9-1-3-11-19-36-21-25(23-13-5-7-15-27(23)36)29-30(32(39)35-31(29)38)26-22-37(20-12-4-2-10-18-34)28-16-8-6-14-24(26)28/h5-8,13-16,21-22H,1-4,9-12,19-20H2,(H,35,38,39) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of recombinant full length human CDK9/cyclin T expressed in baculovirus infected Sf9 insect cells using YSPTSPSYSPTSPSYSPTSPSKKKK as subst... |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Protein kinase C epsilon type
(Homo sapiens (Human)) | BDBM17055
((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10| Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of DAG-activated human PKCepsilon after 10 mins in presence of [32P]ATP by beta scintillation counting method |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(RAT) | BDBM50463034
(CHEMBL4238971)Show SMILES O=C1NC(=O)C(=C1c1cn(CCCCCC#N)c2ccccc12)c1cn(CCCCCC#N)c2ccccc12 |c:5| Show InChI InChI=1S/C32H31N5O2/c33-17-9-1-3-11-19-36-21-25(23-13-5-7-15-27(23)36)29-30(32(39)35-31(29)38)26-22-37(20-12-4-2-10-18-34)28-16-8-6-14-24(26)28/h5-8,13-16,21-22H,1-4,9-12,19-20H2,(H,35,38,39) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of recombinant rat DYRK1A kinase domain expressed in bacteria using KKISGRLSPIMTEQ as substrate in presence of [gamma-33P]ATP |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50463026
(CHEMBL4240779)Show SMILES Cn1cc(C2=C(C(=O)N(O)C2=O)c2cn(CCCCCC(O)=O)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C27H25N3O5/c1-28-15-19(17-9-4-6-11-21(17)28)24-25(27(34)30(35)26(24)33)20-16-29(14-8-2-3-13-23(31)32)22-12-7-5-10-18(20)22/h4-7,9-12,15-16,35H,2-3,8,13-14H2,1H3,(H,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of recombinant full length human CDK9/cyclin T expressed in baculovirus infected Sf9 insect cells using YSPTSPSYSPTSPSYSPTSPSKKKK as subst... |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50463028
(CHEMBL4238883)Show SMILES CCn1cc(C2=C(C(=O)N(O)C2=O)c2cn(C(C)C)c3ccccc23)c2ccccc12 |t:5| Show InChI InChI=1S/C25H23N3O3/c1-4-26-13-18(16-9-5-7-11-20(16)26)22-23(25(30)28(31)24(22)29)19-14-27(15(2)3)21-12-8-6-10-17(19)21/h5-15,31H,4H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of recombinant full length human CDK9/cyclin T expressed in baculovirus infected Sf9 insect cells using YSPTSPSYSPTSPSYSPTSPSKKKK as subst... |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
3-phosphoinositide-dependent protein kinase 1
(Homo sapiens (Human)) | BDBM17055
((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10| Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of wild type PDK1 (unknown origin) |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glycogen synthase kinase-3 beta/[Tau protein] kinase
(Sus scrofa) | BDBM50463024
(CHEMBL4241699)Show SMILES ON1C(=O)C(=C(C1=O)c1cn(CCCCCC(O)=O)c2ccccc12)c1c[nH]c2ccccc12 |c:4| Show InChI InChI=1S/C26H23N3O5/c30-22(31)12-2-1-7-13-28-15-19(17-9-4-6-11-21(17)28)24-23(25(32)29(34)26(24)33)18-14-27-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,27,34H,1-2,7,12-13H2,(H,30,31) | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta/[Tau protein] kinase
(Sus scrofa) | BDBM50463033
(CHEMBL4244860)Show SMILES ON1C(=O)C(=C(C1=O)c1cn(CCCCCC#N)c2ccccc12)c1cn(CCCCCC#N)c2ccccc12 |c:4| Show InChI InChI=1S/C32H31N5O3/c33-17-9-1-3-11-19-35-21-25(23-13-5-7-15-27(23)35)29-30(32(39)37(40)31(29)38)26-22-36(20-12-4-2-10-18-34)28-16-8-6-14-24(26)28/h5-8,13-16,21-22,40H,1-4,9-12,19-20H2 | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM2605
((Arylindolyl)maleimide deriv. 27 | 3-(1-methyl-1H-...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ncccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C21H16N4O2/c1-24-10-14(12-6-3-4-8-16(12)24)17-18(21(27)23-20(17)26)15-11-25(2)19-13(15)7-5-9-22-19/h3-11H,1-2H3,(H,23,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of recombinant full length human CDK5/p25 expressed in bacteria using histone H1 as substrate in presence of [gamma-33P]ATP |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(RAT) | BDBM50463026
(CHEMBL4240779)Show SMILES Cn1cc(C2=C(C(=O)N(O)C2=O)c2cn(CCCCCC(O)=O)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C27H25N3O5/c1-28-15-19(17-9-4-6-11-21(17)28)24-25(27(34)30(35)26(24)33)20-16-29(14-8-2-3-13-23(31)32)22-12-7-5-10-18(20)22/h4-7,9-12,15-16,35H,2-3,8,13-14H2,1H3,(H,31,32) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of recombinant rat DYRK1A kinase domain expressed in bacteria using KKISGRLSPIMTEQ as substrate in presence of [gamma-33P]ATP |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50463036
(CHEMBL4246062)Show SMILES CCn1cc(C2=C(C(=O)N(O)C2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:5| Show InChI InChI=1S/C23H19N3O3/c1-3-25-13-17(15-9-5-7-11-19(15)25)21-20(22(27)26(29)23(21)28)16-12-24(2)18-10-6-4-8-14(16)18/h4-13,29H,3H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of recombinant full length human CDK9/cyclin T expressed in baculovirus infected Sf9 insect cells using YSPTSPSYSPTSPSYSPTSPSKKKK as subst... |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50463030
(CHEMBL4239321)Show SMILES CC(C)n1cc(C2=C(C(=O)N(O)C2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:6| Show InChI InChI=1S/C24H21N3O3/c1-14(2)26-13-18(16-9-5-7-11-20(16)26)22-21(23(28)27(30)24(22)29)17-12-25(3)19-10-6-4-8-15(17)19/h4-14,30H,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of recombinant full length human CDK9/cyclin T expressed in baculovirus infected Sf9 insect cells using YSPTSPSYSPTSPSYSPTSPSKKKK as subst... |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta/[Tau protein] kinase
(Sus scrofa) | BDBM50463031
(CHEMBL4249393)Show SMILES CC(C)n1cc(C2=C(C(=O)N(O)C2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:6| Show InChI InChI=1S/C23H19N3O3/c1-13(2)25-12-17(15-8-4-6-10-19(15)25)21-20(22(27)26(29)23(21)28)16-11-24-18-9-5-3-7-14(16)18/h3-13,24,29H,1-2H3 | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50463027
(CHEMBL4242235)Show SMILES Cn1cc(C2=C(C(=O)N(O)C2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C21H15N3O3/c1-23-11-15(13-7-3-5-9-17(13)23)19-18(20(25)24(27)21(19)26)14-10-22-16-8-4-2-6-12(14)16/h2-11,22,27H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of recombinant full length human CDK9/cyclin T expressed in baculovirus infected Sf9 insect cells using YSPTSPSYSPTSPSYSPTSPSKKKK as subst... |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM2605
((Arylindolyl)maleimide deriv. 27 | 3-(1-methyl-1H-...)Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ncccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C21H16N4O2/c1-24-10-14(12-6-3-4-8-16(12)24)17-18(21(27)23-20(17)26)15-11-25(2)19-13(15)7-5-9-22-19/h3-11H,1-2H3,(H,23,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of recombinant full length human PIM1 expressed in bacteria using histone H1 as substrate in presence of [gamma-33P]ATP |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(RAT) | BDBM50463024
(CHEMBL4241699)Show SMILES ON1C(=O)C(=C(C1=O)c1cn(CCCCCC(O)=O)c2ccccc12)c1c[nH]c2ccccc12 |c:4| Show InChI InChI=1S/C26H23N3O5/c30-22(31)12-2-1-7-13-28-15-19(17-9-4-6-11-21(17)28)24-23(25(32)29(34)26(24)33)18-14-27-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,27,34H,1-2,7,12-13H2,(H,30,31) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of recombinant rat DYRK1A kinase domain expressed in bacteria using KKISGRLSPIMTEQ as substrate in presence of [gamma-33P]ATP |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50463024
(CHEMBL4241699)Show SMILES ON1C(=O)C(=C(C1=O)c1cn(CCCCCC(O)=O)c2ccccc12)c1c[nH]c2ccccc12 |c:4| Show InChI InChI=1S/C26H23N3O5/c30-22(31)12-2-1-7-13-28-15-19(17-9-4-6-11-21(17)28)24-23(25(32)29(34)26(24)33)18-14-27-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,27,34H,1-2,7,12-13H2,(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of recombinant full length human CDK9/cyclin T expressed in baculovirus infected Sf9 insect cells using YSPTSPSYSPTSPSYSPTSPSKKKK as subst... |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50463035
(CHEMBL4245590)Show SMILES Cn1cc(C2=C(C(=O)N(O)C2=O)c2cn(CCCCCC#N)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C27H24N4O3/c1-29-16-20(18-10-4-6-12-22(18)29)24-25(27(33)31(34)26(24)32)21-17-30(15-9-3-2-8-14-28)23-13-7-5-11-19(21)23/h4-7,10-13,16-17,34H,2-3,8-9,15H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of recombinant full length human CDK9/cyclin T expressed in baculovirus infected Sf9 insect cells using YSPTSPSYSPTSPSYSPTSPSKKKK as subst... |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50463034
(CHEMBL4238971)Show SMILES O=C1NC(=O)C(=C1c1cn(CCCCCC#N)c2ccccc12)c1cn(CCCCCC#N)c2ccccc12 |c:5| Show InChI InChI=1S/C32H31N5O2/c33-17-9-1-3-11-19-36-21-25(23-13-5-7-15-27(23)36)29-30(32(39)35-31(29)38)26-22-37(20-12-4-2-10-18-34)28-16-8-6-14-24(26)28/h5-8,13-16,21-22H,1-4,9-12,19-20H2,(H,35,38,39) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of full length human CDK2/cyclin A using histone H1 as substrate in presence of [gamma-33P]ATP |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta/[Tau protein] kinase
(Sus scrofa) | BDBM50463029
(CHEMBL4241803)Show SMILES Cn1cc(C2=C(C(=O)N(O)C2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C22H17N3O3/c1-23-11-15(13-7-3-5-9-17(13)23)19-20(22(27)25(28)21(19)26)16-12-24(2)18-10-6-4-8-14(16)18/h3-12,28H,1-2H3 | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta/[Tau protein] kinase
(Sus scrofa) | BDBM50463026
(CHEMBL4240779)Show SMILES Cn1cc(C2=C(C(=O)N(O)C2=O)c2cn(CCCCCC(O)=O)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C27H25N3O5/c1-28-15-19(17-9-4-6-11-21(17)28)24-25(27(34)30(35)26(24)33)20-16-29(14-8-2-3-13-23(31)32)22-12-7-5-10-18(20)22/h4-7,9-12,15-16,35H,2-3,8,13-14H2,1H3,(H,31,32) | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50463026
(CHEMBL4240779)Show SMILES Cn1cc(C2=C(C(=O)N(O)C2=O)c2cn(CCCCCC(O)=O)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C27H25N3O5/c1-28-15-19(17-9-4-6-11-21(17)28)24-25(27(34)30(35)26(24)33)20-16-29(14-8-2-3-13-23(31)32)22-12-7-5-10-18(20)22/h4-7,9-12,15-16,35H,2-3,8,13-14H2,1H3,(H,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of full length human CDK2/cyclin A using histone H1 as substrate in presence of [gamma-33P]ATP |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta/[Tau protein] kinase
(Sus scrofa) | BDBM50463025
(CHEMBL4238093)Show SMILES ON1C(=O)C(=C(C1=O)c1c[nH]c2ncccc12)c1c[nH]c2ccccc12 |c:4| Show InChI InChI=1S/C19H12N4O3/c24-18-15(12-8-21-14-6-2-1-4-10(12)14)16(19(25)23(18)26)13-9-22-17-11(13)5-3-7-20-17/h1-9,21,26H,(H,20,22) | PDB
UniProtKB/TrEMBL
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of domestic porcine brain full length GSK-3alpha/beta using GS-1 as substrate in presence of [gamma-33P]ATP |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50463025
(CHEMBL4238093)Show SMILES ON1C(=O)C(=C(C1=O)c1c[nH]c2ncccc12)c1c[nH]c2ccccc12 |c:4| Show InChI InChI=1S/C19H12N4O3/c24-18-15(12-8-21-14-6-2-1-4-10(12)14)16(19(25)23(18)26)13-9-22-17-11(13)5-3-7-20-17/h1-9,21,26H,(H,20,22) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of recombinant full length human PIM1 expressed in bacteria using histone H1 as substrate in presence of [gamma-33P]ATP |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(RAT) | BDBM50463035
(CHEMBL4245590)Show SMILES Cn1cc(C2=C(C(=O)N(O)C2=O)c2cn(CCCCCC#N)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C27H24N4O3/c1-29-16-20(18-10-4-6-12-22(18)29)24-25(27(33)31(34)26(24)32)21-17-30(15-9-3-2-8-14-28)23-13-7-5-11-19(21)23/h4-7,10-13,16-17,34H,2-3,8-9,15H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of recombinant rat DYRK1A kinase domain expressed in bacteria using KKISGRLSPIMTEQ as substrate in presence of [gamma-33P]ATP |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50463027
(CHEMBL4242235)Show SMILES Cn1cc(C2=C(C(=O)N(O)C2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C21H15N3O3/c1-23-11-15(13-7-3-5-9-17(13)23)19-18(20(25)24(27)21(19)26)14-10-22-16-8-4-2-6-12(14)16/h2-11,22,27H,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of recombinant full length human PIM1 expressed in bacteria using histone H1 as substrate in presence of [gamma-33P]ATP |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50463030
(CHEMBL4239321)Show SMILES CC(C)n1cc(C2=C(C(=O)N(O)C2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:6| Show InChI InChI=1S/C24H21N3O3/c1-14(2)26-13-18(16-9-5-7-11-20(16)26)22-21(23(28)27(30)24(22)29)17-12-25(3)19-10-6-4-8-15(17)19/h4-14,30H,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of full length human CDK2/cyclin A using histone H1 as substrate in presence of [gamma-33P]ATP |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50463029
(CHEMBL4241803)Show SMILES Cn1cc(C2=C(C(=O)N(O)C2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C22H17N3O3/c1-23-11-15(13-7-3-5-9-17(13)23)19-20(22(27)25(28)21(19)26)16-12-24(2)18-10-6-4-8-14(16)18/h3-12,28H,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of recombinant full length human CDK9/cyclin T expressed in baculovirus infected Sf9 insect cells using YSPTSPSYSPTSPSYSPTSPSKKKK as subst... |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50463024
(CHEMBL4241699)Show SMILES ON1C(=O)C(=C(C1=O)c1cn(CCCCCC(O)=O)c2ccccc12)c1c[nH]c2ccccc12 |c:4| Show InChI InChI=1S/C26H23N3O5/c30-22(31)12-2-1-7-13-28-15-19(17-9-4-6-11-21(17)28)24-23(25(32)29(34)26(24)33)18-14-27-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,27,34H,1-2,7,12-13H2,(H,30,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of recombinant full length human CDK5/p25 expressed in bacteria using histone H1 as substrate in presence of [gamma-33P]ATP |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50463025
(CHEMBL4238093)Show SMILES ON1C(=O)C(=C(C1=O)c1c[nH]c2ncccc12)c1c[nH]c2ccccc12 |c:4| Show InChI InChI=1S/C19H12N4O3/c24-18-15(12-8-21-14-6-2-1-4-10(12)14)16(19(25)23(18)26)13-9-22-17-11(13)5-3-7-20-17/h1-9,21,26H,(H,20,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University College Cork
Curated by ChEMBL
| Assay Description Inhibition of recombinant full length human aurora B expressed in baculovirus infected Sf9 insect cells using MBP as substrate in presence of [gamma-... |
Bioorg Med Chem 26: 4209-4224 (2018)
Article DOI: 10.1016/j.bmc.2018.07.012 BindingDB Entry DOI: 10.7270/Q270843T |
More data for this Ligand-Target Pair | |