Found 64 hits of Enzyme Inhibition Constant Data 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 |
|---|
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50466852
(CHEMBL4294976)Show SMILES CCOc1ccccc1CNc1nc(C)nc2[nH]cc(-c3ccnc(N)c3)c12 Show InChI InChI=1S/C21H22N6O/c1-3-28-17-7-5-4-6-15(17)11-24-20-19-16(14-8-9-23-18(22)10-14)12-25-21(19)27-13(2)26-20/h4-10,12H,3,11H2,1-2H3,(H2,22,23)(H2,24,25,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human full-length N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in baculovirus expression system using MBP as substrate af... |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha 3
(Homo sapiens) | BDBM50335638
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21 Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of CK2 (unknown origin) |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50466849
(CHEMBL4284240)Show SMILES COc1ccc2CC(Cc2c1)n1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1 Show InChI InChI=1S/C22H22N6O/c1-12-25-19-6-5-18(15-10-20(23)27-21(24)11-15)26-22(19)28(12)16-7-13-3-4-17(29-2)9-14(13)8-16/h3-6,9-11,16H,7-8H2,1-2H3,(H4,23,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human full-length N-terminal GST-tagged DYRK1A (1 to 763 residues) expressed in baculovirus expression system using MBP as substrate af... |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50466855
(CHEMBL4285678)Show SMILES [H][C@@]12O[C@@](C)([C@H](O)[C@@H](O)[C@H]1O)n1c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C26H19N3O6/c1-26-22(32)20(30)21(31)25(35-26)28-12-8-4-2-6-10(12)14-16-17(24(34)27-23(16)33)15-11-7-3-5-9-13(11)29(26)19(15)18(14)28/h2-9,20-22,25,30-32H,1H3,(H,27,33,34)/t20-,21+,22+,25+,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50466860
(CHEMBL4282315)Show SMILES Cl.COc1cc2[nH]c(=O)c(cc2cn1)C(=O)Nc1cc(ccc1Cl)C(=O)NC(CCN)c1ccsc1 Show InChI InChI=1S/C24H22ClN5O4S.ClH/c1-34-21-10-19-15(11-27-21)8-16(23(32)29-19)24(33)30-20-9-13(2-3-17(20)25)22(31)28-18(4-6-26)14-5-7-35-12-14;/h2-3,5,7-12,18H,4,6,26H2,1H3,(H,28,31)(H,29,32)(H,30,33);1H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human full-length GST-tagged DYRK1A expressed in baculovirus expression system using RRRFRPASPLRGPPK as substrate after 60 mins by TR-F... |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50466850
(CHEMBL4288045)Show SMILES COCCc1cc2cc(C(=O)Nc3cc(ccc3Cl)C(=O)N[C@H](CCN)c3ccccc3)c(=O)[nH]c2cc1OC |r| Show InChI InChI=1S/C30H31ClN4O5/c1-39-13-11-19-14-21-15-22(29(37)34-25(21)17-27(19)40-2)30(38)35-26-16-20(8-9-23(26)31)28(36)33-24(10-12-32)18-6-4-3-5-7-18/h3-9,14-17,24H,10-13,32H2,1-2H3,(H,33,36)(H,34,37)(H,35,38)/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human full-length GST-tagged DYRK1A expressed in baculovirus expression system using RRRFRPASPLRGPPK as substrate after 60 mins by TR-F... |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50466841
(CHEMBL4284572)Show SMILES Cl.NCC(Nc1nccc(n1)-c1n[nH]c2nc(NCCN3CCOCC3)ncc12)c1ccccc1 Show InChI InChI=1S/C23H28N10O.ClH/c24-14-19(16-4-2-1-3-5-16)29-23-25-7-6-18(28-23)20-17-15-27-22(30-21(17)32-31-20)26-8-9-33-10-12-34-13-11-33;/h1-7,15,19H,8-14,24H2,(H,25,28,29)(H2,26,27,30,31,32);1H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human full-length GST-tagged DYRK1A expressed in baculovirus expression system using RRRFRPASPLRGPPK as substrate after 60 mins by TR-F... |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50466863
(CHEMBL4286467)Show SMILES COc1cc2[nH]c(=O)c(cc2cc1CCCN1CCOCC1)C(=O)Nc1cc(ccc1C)C(=O)NCc1cccc(Cl)c1 Show InChI InChI=1S/C33H35ClN4O5/c1-21-8-9-24(31(39)35-20-22-5-3-7-26(34)15-22)18-28(21)36-32(40)27-17-25-16-23(6-4-10-38-11-13-43-14-12-38)30(42-2)19-29(25)37-33(27)41/h3,5,7-9,15-19H,4,6,10-14,20H2,1-2H3,(H,35,39)(H,36,40)(H,37,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human full-length GST-tagged DYRK1A expressed in baculovirus expression system using RRRFRPASPLRGPPK as substrate after 60 mins by TR-F... |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50235342
(CHEMBL319467 | NU-6102)Show SMILES NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1 Show InChI InChI=1S/C18H22N6O3S/c19-28(25,26)14-8-6-13(7-9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,19,25,26)(H2,20,21,22,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
| PDB
Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/cyclin A (unknown origin) |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50335638
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21 Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human DYRK1B by radiometric filter-binding assay |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50335638
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21 Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
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| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human DYRK1A by radiometric filter-binding assay |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50466848
(CHEMBL4283751)Show InChI InChI=1S/C12H10N2O2S/c13-12-14-11(15)10(17-12)6-7-1-2-9-8(5-7)3-4-16-9/h1-2,5-6H,3-4H2,(H2,13,14,15)/b10-6- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length N-terminal GST-tagged DYRK1A expressed in baculovirus expression system using DYRKtide-F as substrate aft... |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50466852
(CHEMBL4294976)Show SMILES CCOc1ccccc1CNc1nc(C)nc2[nH]cc(-c3ccnc(N)c3)c12 Show InChI InChI=1S/C21H22N6O/c1-3-28-17-7-5-4-6-15(17)11-24-20-19-16(14-8-9-23-18(22)10-14)12-25-21(19)27-13(2)26-20/h4-10,12H,3,11H2,1-2H3,(H2,22,23)(H2,24,25,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human full-length N-terminal GST-tagged DYRK1B (1 to 629 residues) expressed in baculovirus expression system using MBP as substrate af... |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50235342
(CHEMBL319467 | NU-6102)Show SMILES NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1 Show InChI InChI=1S/C18H22N6O3S/c19-28(25,26)14-8-6-13(7-9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,19,25,26)(H2,20,21,22,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
| PDB
Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of CDK1/cyclin B1 (unknown origin) |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50466852
(CHEMBL4294976)Show SMILES CCOc1ccccc1CNc1nc(C)nc2[nH]cc(-c3ccnc(N)c3)c12 Show InChI InChI=1S/C21H22N6O/c1-3-28-17-7-5-4-6-15(17)11-24-20-19-16(14-8-9-23-18(22)10-14)12-25-21(19)27-13(2)26-20/h4-10,12H,3,11H2,1-2H3,(H2,22,23)(H2,24,25,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human full-length N-terminal GST-fused CDK9 (1 to 372 residues) expressed in baculovirus expression system using MBP as substrate after... |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50466860
(CHEMBL4282315)Show SMILES Cl.COc1cc2[nH]c(=O)c(cc2cn1)C(=O)Nc1cc(ccc1Cl)C(=O)NC(CCN)c1ccsc1 Show InChI InChI=1S/C24H22ClN5O4S.ClH/c1-34-21-10-19-15(11-27-21)8-16(23(32)29-19)24(33)30-20-9-13(2-3-17(20)25)22(31)28-18(4-6-26)14-5-7-35-12-14;/h2-3,5,7-12,18H,4,6,26H2,1H3,(H,28,31)(H,29,32)(H,30,33);1H | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human full-length recombinant GST-tagged DYRK1B expressed in baculovirus expression system using RRRFRPASPLRGPPK as substrate after 60 ... |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50466849
(CHEMBL4284240)Show SMILES COc1ccc2CC(Cc2c1)n1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1 Show InChI InChI=1S/C22H22N6O/c1-12-25-19-6-5-18(15-10-20(23)27-21(24)11-15)26-22(19)28(12)16-7-13-3-4-17(29-2)9-14(13)8-16/h3-6,9-11,16H,7-8H2,1-2H3,(H4,23,24,27) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of full-length human N-terminal GST-fused CLK1 (129 to 484 residues) expressed in baculovirus expression system using MBP as substrate aft... |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50466841
(CHEMBL4284572)Show SMILES Cl.NCC(Nc1nccc(n1)-c1n[nH]c2nc(NCCN3CCOCC3)ncc12)c1ccccc1 Show InChI InChI=1S/C23H28N10O.ClH/c24-14-19(16-4-2-1-3-5-16)29-23-25-7-6-18(28-23)20-17-15-27-22(30-21(17)32-31-20)26-8-9-33-10-12-34-13-11-33;/h1-7,15,19H,8-14,24H2,(H,25,28,29)(H2,26,27,30,31,32);1H | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human full-length recombinant GST-tagged DYRK1B expressed in baculovirus expression system using RRRFRPASPLRGPPK as substrate after 60 ... |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(RAT) | BDBM50466858
(CHEMBL4292553)Show SMILES Oc1ccc(cc1O)-c1cnc2[nH]cc(-c3ccc(F)cc3)c2c1 Show InChI InChI=1S/C19H13FN2O2/c20-14-4-1-11(2-5-14)16-10-22-19-15(16)7-13(9-21-19)12-3-6-17(23)18(24)8-12/h1-10,23-24H,(H,21,22) | PDB
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UniChem
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of rat recombinant 6His-tagged DYRK1A (1 to 502 residues) catalytic domain expressed in Escherichia coli BL21 (DE3) using KISGRLSPIMTEQ as... |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50466848
(CHEMBL4283751)Show InChI InChI=1S/C12H10N2O2S/c13-12-14-11(15)10(17-12)6-7-1-2-9-8(5-7)3-4-16-9/h1-2,5-6H,3-4H2,(H2,13,14,15)/b10-6- | PDB
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UniChem
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length N-terminal GST-tagged DYRK1B expressed in baculovirus expression system using DYRKtide-F as substrate aft... |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50466859
(CHEMBL4279616)Show InChI InChI=1S/C14H12N4O2S/c1-20-12(15)13-17-9-5-4-8-10(11(9)21-13)14(19)18(6-16-8)7-2-3-7/h4-7,15H,2-3H2,1H3 | PDB
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UniChem
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| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-fused CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate in presence of [gamma-33P]ATP after 30 m... |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50466847
(CHEMBL4283765)Show SMILES O=C1NC(Nc2ccccc2)=N\C1=C\c1ccc2OCOc2c1 |c:11| Show InChI InChI=1S/C17H13N3O3/c21-16-13(8-11-6-7-14-15(9-11)23-10-22-14)19-17(20-16)18-12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,19,20,21)/b13-8+ | PDB
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UniChem
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM100152
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3 | PDB
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| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A in human HeLa cells assessed as decrease in SF3B1 phosphorylation at Thr434 after 48 hrs by Western blot analysis |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50435473
(CHEMBL1236620)Show InChI InChI=1S/C15H13Cl2N3O2/c1-3-22-15(21)14-11(8(6-18)7-19)9-4-5-10(16)12(17)13(9)20(14)2/h4-6,8,18H,3H2,1-2H3 | PDB
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UniChem
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) using YRASPSRPESPRPPA-amide as substrate preincubated for 10 mins followed by substrate addition and measured a... |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50466861
(CHEMBL4277878)Show SMILES COc1cc2cc(C(=O)Nc3cc(ccc3C)C(=O)NC(CN)c3ccccc3)c(=O)[nH]c2cc1OC Show InChI InChI=1S/C28H28N4O5/c1-16-9-10-18(26(33)32-23(15-29)17-7-5-4-6-8-17)12-21(16)30-27(34)20-11-19-13-24(36-2)25(37-3)14-22(19)31-28(20)35/h4-14,23H,15,29H2,1-3H3,(H,30,34)(H,31,35)(H,32,33) | PDB
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Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human full-length GST-tagged DYRK1A expressed in baculovirus expression system using RRRFRPASPLRGPPK as substrate after 60 mins by TR-F... |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM100152
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3 | PDB
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Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human full length DYRK1A using KKISGRLSPIMTEQ as substrate after 30 mins in presence of [gamma33P-ATP] |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50466845
(CHEMBL4291029)Show InChI InChI=1S/C15H13N3O/c1-10-15-13(5-7-17-10)12-4-3-11(19-2)9-14(12)18(15)8-6-16/h3-5,7,9H,8H2,1-2H3 | PDB
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UniChem
| Article
PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged DYRK1A (unknown origin) expressed in Escherichia coli DH5alpha using RRRFRPASPLRGPPK as substrate after 30 mins by kinase-gl... |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50047009
(1-Methyl-9H-beta-carbolin-7-ol | 1-Methyl-9H-beta-...)Show InChI InChI=1S/C12H10N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-6,14-15H,1H3 | PDB
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| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length GST-tagged DYRK1A expressed in baculovirus expression system assessed as decrease in tau phosphorylation ... |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(RAT) | BDBM50466859
(CHEMBL4279616)Show InChI InChI=1S/C14H12N4O2S/c1-20-12(15)13-17-9-5-4-8-10(11(9)21-13)14(19)18(6-16-8)7-2-3-7/h4-7,15H,2-3H2,1H3 | PDB
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| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli in presence of [gamma-33P]ATP after 30 mins by scintillation counting an... |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50466854
(CHEMBL4291088)Show InChI InChI=1S/C12H11N3O3/c1-15-11(16)8(14-12(15)13)4-7-2-3-9-10(5-7)18-6-17-9/h2-5H,6H2,1H3,(H2,13,14)/b8-4+ | PDB
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of CLK1 (unknown origin) |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50466857
(CHEMBL4288096)Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]-2/[#16]-[#6](=S)-[#7]-[#6]-2=O)cc1C#C[Si;v4]([#6])([#6])[#6] Show InChI InChI=1S/C16H17NO2S2Si/c1-19-13-6-5-11(9-12(13)7-8-22(2,3)4)10-14-15(18)17-16(20)21-14/h5-6,9-10H,1-4H3,(H,17,18,20)/b14-10- | PDB
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| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A Y319E mutant (unknown origin) expressed in HEK293 cells assessed as decrease in tau phosphorylation at Ser97 after 24 hrs by Wes... |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50466843
(CHEMBL4283240)Show InChI InChI=1S/C14H10ClN3O/c1-19-9-2-3-10-11-4-6-17-14(15)13(11)18(7-5-16)12(10)8-9/h2-4,6,8H,7H2,1H3 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 181 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged DYRK1A (unknown origin) expressed in Escherichia coli DH5alpha using RRRFRPASPLRGPPK as substrate after 30 mins by kinase-gl... |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50445253
(CHEMBL1232500)Show InChI InChI=1S/C12H13NO2S/c1-3-13-10-7-9(15)4-5-11(10)16-12(13)6-8(2)14/h4-7,15H,3H2,1-2H3 | PDB
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| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length GST-tagged DYRK1A expressed in baculovirus expression system after 10 mins in presence of [gamma33P-ATP] ... |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM27216
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1 | PDB
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) by cell-based assay |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50070942
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1 | PDB
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| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate after 40 mins in presence of [gamma... |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha/beta
(Homo sapiens (Human)-Rattus norvegicus (Rat)) | BDBM50466862
(CHEMBL270722)Show InChI InChI=1S/C14H9NO5/c1-7-4-13(17)20-12-6-10-8(5-9(7)12)2-3-11(16)14(10)15(18)19/h2-6,16H,1H3 | PDB
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| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of rat liver CK2 using RRRADDSDDDDD as substrate after 10 mins in presence of [gamma-33P]ATP |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50156670
(2-(dimethylamino)-4,5,6,7-tetrabromo-1H-benzimidaz...)Show InChI InChI=1S/C9H7Br4N3/c1-16(2)9-14-7-5(12)3(10)4(11)6(13)8(7)15-9/h1-2H3,(H,14,15) | PDB
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PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50466853
(CHEBI:66003 | CHEMBL109269)Show InChI InChI=1S/C15H16N2O/c1-4-17-14-9-11(18-3)5-6-12(14)13-7-8-16-10(2)15(13)17/h5-9H,4H2,1-3H3 | PDB
MMDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length GST-tagged DYRK1A expressed in baculovirus expression system assessed as decrease in tau phosphorylation ... |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50466847
(CHEMBL4283765)Show SMILES O=C1NC(Nc2ccccc2)=N\C1=C\c1ccc2OCOc2c1 |c:11| Show InChI InChI=1S/C17H13N3O3/c21-16-13(8-11-6-7-14-15(9-11)23-10-22-14)19-17(20-16)18-12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,19,20,21)/b13-8+ | PDB
UniProtKB/SwissProt
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antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of GSK-3 (unknown origin) |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 2
(Homo sapiens (Human)) | BDBM50466854
(CHEMBL4291088)Show InChI InChI=1S/C12H11N3O3/c1-15-11(16)8(14-12(15)13)4-7-2-3-9-10(5-7)18-6-17-9/h2-5H,6H2,1H3,(H2,13,14)/b8-4+ | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of DYRK2 (unknown origin) |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50466851
(CHEMBL4285776)Show InChI InChI=1S/C14H10O3/c1-8-4-14(16)17-13-7-10-5-11(15)3-2-9(10)6-12(8)13/h2-7,15H,1H3 | PDB
MMDB
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KEGG
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human GST-fused DYRK1A expressed in Escherichia coli BL21 (DE3) using DYRKtide as substrate after 10 mins in presence of [gamma-33P]ATP |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(RAT) | BDBM50466844
(CHEMBL4290278)Show InChI InChI=1S/C11H11N5O2/c17-4-3-12-11-14-8-2-1-7-6(5-13-16-7)9(8)10(18)15-11/h1-2,5,17H,3-4H2,(H,13,16)(H2,12,14,15,18) | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of rat DYRK1A using KKISGRLSPIMTEQ as substrate in presence of [gamma-33P]ATP after 30 mins by scintillation counting analysis |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50466856
(CHEMBL4293650)Show SMILES [#6]-[#8]-c1cc(ccc1-[#8])-c1cc(=O)c2c(-[#8])cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c2o1 Show InChI InChI=1S/C26H28O6/c1-15(2)6-5-7-16(3)8-10-18-20(28)13-21(29)25-22(30)14-23(32-26(18)25)17-9-11-19(27)24(12-17)31-4/h6,8-9,11-14,27-29H,5,7,10H2,1-4H3/b16-8+ | PDB
MMDB
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UniChem
| Article
PubMed
| n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM100152
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length GST-tagged DYRK1A expressed in baculovirus expression system assessed as decrease in tau phosphorylation ... |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity tyrosine-phosphorylation-regulated kinase 3
(Homo sapiens (Human)) | BDBM100152
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human full length DYRK3 using KKISGRLSPIMTEQ as substrate after 30 mins in presence of [gamma33P-ATP] |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50235342
(CHEMBL319467 | NU-6102)Show SMILES NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1 Show InChI InChI=1S/C18H22N6O3S/c19-28(25,26)14-8-6-13(7-9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,19,25,26)(H2,20,21,22,23,24) | PDB
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| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 2
(Homo sapiens (Human)) | BDBM100152
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3 | PDB
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| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human full length DYRK2 using KKISGRLSPIMTEQ as substrate after 30 mins in presence of [gamma33P-ATP] |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50466842
(CHEMBL1615221)Show SMILES CC[C@@H](CO)Nc1nc(NCc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C24H29N7O/c1-4-19(14-32)28-24-29-22(21-23(30-24)31(15-27-21)16(2)3)26-13-17-8-10-18(11-9-17)20-7-5-6-12-25-20/h5-12,15-16,19,32H,4,13-14H2,1-3H3,(H2,26,28,29,30)/t19-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged DYRK1A expressed in Escherichia coli using KKISGRLSPIMTEQ as substrate after 40 mins in presence of [gamma... |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK2
(Homo sapiens (Human)) | BDBM50466854
(CHEMBL4291088)Show InChI InChI=1S/C12H11N3O3/c1-15-11(16)8(14-12(15)13)4-7-2-3-9-10(5-7)18-6-17-9/h2-5H,6H2,1H3,(H2,13,14)/b8-4+ | PDB
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B.MOAD
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of CLK2 (unknown origin) |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50026622
(CHEMBL408982)Show InChI InChI=1S/C13H15NO2S/c1-4-14-11-8-10(16-3)5-6-12(11)17-13(14)7-9(2)15/h5-8H,4H2,1-3H3/b13-7- | PDB
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| Article
PubMed
| n/a | n/a | 930 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant full length GST-tagged DYRK1A expressed in baculovirus expression system after 10 mins in presence of [gamma33P-ATP] ... |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
MAP kinase-activated protein kinase 5
(Homo sapiens (Human)) | BDBM50070942
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1 | NCI pathway
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| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of PRAK (unknown origin) |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(RAT) | BDBM27217
((2R)-2-{[4-(benzylamino)-8-(propan-2-yl)pyrazolo[1...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)n2ncc(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(12-26)22-18-23-17-16(13(2)3)11-21-25(17)19(24-18)20-10-14-8-6-5-7-9-14/h5-9,11,13,15,26H,4,10,12H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 | PDB
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| DrugBank
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PC sid
PDB
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| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli in presence of [gamma-33P]ATP after 30 mins by scintillation counting an... |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50156669
(4,5,6,7-TETRABROMO-BENZIMIDAZOLE | 4,5,6,7-tetrabr...)Show InChI InChI=1S/C7H2Br4N2/c8-2-3(9)5(11)7-6(4(2)10)12-1-13-7/h1H,(H,12,13) | PDB
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| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50466846
(CHEMBL4293599)Show SMILES CC[C@@H](CO)Nc1cc(NCc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C25H30N6O/c1-4-20(15-32)29-23-13-22(24-25(30-23)31(16-28-24)17(2)3)27-14-18-8-10-19(11-9-18)21-7-5-6-12-26-21/h5-13,16-17,20,32H,4,14-15H2,1-3H3,(H2,27,29,30)/t20-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM7533
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) by cell-based assay |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50466845
(CHEMBL4291029)Show InChI InChI=1S/C15H13N3O/c1-10-15-13(5-7-17-10)12-4-3-11(19-2)9-14(12)18(15)8-6-16/h3-5,7,9H,8H2,1-2H3 | PDB
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| MCE
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PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MAO-A after 1 hr by by MAO-Glo assay |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM11323
(4,5,6,7-tetrabromo-1H-1,2,3-benzotriazole | 4,5,6,...)Show InChI InChI=1S/C6HBr4N3/c7-1-2(8)4(10)6-5(3(1)9)11-13-12-6/h(H,11,12,13) | PDB
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| Article
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| n/a | n/a | 4.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50140923
(CHEMBL3753955)Show InChI InChI=1S/C16H11N3/c17-9-13(8-12-4-3-7-18-10-12)15-11-19-16-6-2-1-5-14(15)16/h1-8,10-11,19H/b13-8+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50466856
(CHEMBL4293650)Show SMILES [#6]-[#8]-c1cc(ccc1-[#8])-c1cc(=O)c2c(-[#8])cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c2o1 Show InChI InChI=1S/C26H28O6/c1-15(2)6-5-7-16(3)8-10-18-20(28)13-21(29)25-22(30)14-23(32-26(18)25)17-9-11-19(27)24(12-17)31-4/h6,8-9,11-14,27-29H,5,7,10H2,1-4H3/b16-8+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1B (unknown origin) |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Amine oxidase [flavin-containing] A
(Homo sapiens (Human)) | BDBM50466843
(CHEMBL4283240)Show InChI InChI=1S/C14H10ClN3O/c1-19-9-2-3-10-11-4-6-17-14(15)13(11)18(7-5-16)12(10)8-9/h2-4,6,8H,7H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant MAO-A after 1 hr by by MAO-Glo assay |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50466862
(CHEMBL270722)Show InChI InChI=1S/C14H9NO5/c1-7-4-13(17)20-12-6-10-8(5-9(7)12)2-3-11(16)14(10)15(18)19/h2-6,16H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of human GST-fused DYRK1A expressed in Escherichia coli BL21 (DE3) using DYRKtide as substrate after 10 mins in presence of [gamma-33P]ATP |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Casein kinase II subunit alpha/beta
(Homo sapiens (Human)-Rattus norvegicus (Rat)) | BDBM50466851
(CHEMBL4285776)Show InChI InChI=1S/C14H10O3/c1-8-4-14(16)17-13-7-10-5-11(15)3-2-9(10)6-12(8)13/h2-7,15H,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of rat liver CK2 using RRRADDSDDDDD as substrate after 10 mins in presence of [gamma-33P]ATP |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50466854
(CHEMBL4291088)Show InChI InChI=1S/C12H11N3O3/c1-15-11(16)8(14-12(15)13)4-7-2-3-9-10(5-7)18-6-17-9/h2-5H,6H2,1H3,(H2,13,14)/b8-4+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A (unknown origin) |
J Med Chem 61: 9791-9810 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00185
BindingDB Entry DOI: 10.7270/Q2H41V3Q |
More data for this
Ligand-Target Pair | |
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