Found 351 hits with Last Name = 'abdel-halim' and Initial = 'm' 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 protein kinase CLK1
(Homo sapiens (Human)) | BDBM50592246
(T3-CLK)Show SMILES CN1CCN(CC1)C(=O)C(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-c1ccncc1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 0.670 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114411
BindingDB Entry DOI: 10.7270/Q29Z98V0 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50566435
(CHEMBL4872902)Show SMILES COc1c(F)cc(cc1F)C1CC(=NN1c1ccc(cc1)C(=O)N1CCN(C)CC1)C(C)(C)C |c:13| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant full length GST-tagged PDE5A1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using TAMRA-cGMP as subst... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01120
BindingDB Entry DOI: 10.7270/Q2765K34 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50592247
(CHEMBL5200367)Show SMILES CC(C)(C)c1ccc(cn1)C(=O)Nc1cn2cc(ccc2n1)-c1cn[nH]c1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114411
BindingDB Entry DOI: 10.7270/Q29Z98V0 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK4
(Mus musculus) | BDBM50239782
(CHEMBL4082113)Show InChI InChI=1S/C18H16FNO2S/c1-20(11-12-4-3-5-14(19)8-12)18(21)17-10-13-9-15(22-2)6-7-16(13)23-17/h3-10H,11H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description
Inhibition of recombinant GST-tagged mouse CLK4 using GRSRSRSRSRSR as substrate after 30 mins in presence of [gamma-32P]-ATP by scintillation countin... |
J Med Chem 60: 5377-5391 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01915
BindingDB Entry DOI: 10.7270/Q2862JMM |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK2
(Homo sapiens (Human)) | BDBM50592247
(CHEMBL5200367)Show SMILES CC(C)(C)c1ccc(cn1)C(=O)Nc1cn2cc(ccc2n1)-c1cn[nH]c1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114411
BindingDB Entry DOI: 10.7270/Q29Z98V0 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM14390
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) | PDB
MMDB
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KEGG
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CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human full length His-tagged PDE5A1 expressed in baculovirus infected Sf9 insect cells using [3H]-cGMP as substrate preincubated for 15... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01120
BindingDB Entry DOI: 10.7270/Q2765K34 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM14390
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) | PDB
MMDB
Reactome pathway
KEGG
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CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
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| MMDB
PDB
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant full length GST-tagged PDE5A1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using TAMRA-cGMP as subst... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01120
BindingDB Entry DOI: 10.7270/Q2765K34 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50469211
(CHEMBL4283503)Show InChI InChI=1S/C18H15N3OS/c22-18(12-3-4-12)21-16-6-14(9-20-10-16)17-7-15(11-23-17)13-2-1-5-19-8-13/h1-2,5-12H,3-4H2,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged DYRK1A expressed in Escherichia coli BL21(DE3) using KKISGRLSPIMTEQ-NH2 as substrate after 15 ... |
Eur J Med Chem 158: 270-285 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.097
BindingDB Entry DOI: 10.7270/Q2VH5RK5 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50592235
(CHEMBL5205505) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114411
BindingDB Entry DOI: 10.7270/Q29Z98V0 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50566443
(CHEMBL4879176)Show SMILES COc1ccc(C2CC(=NN2c2ccc(cc2)C(=O)N2CCN(C)CC2)C(C)(C)C)c(F)c1F |c:8| | 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 |
TBA
| Assay Description
Inhibition of recombinant full length GST-tagged PDE5A1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using TAMRA-cGMP as subst... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01120
BindingDB Entry DOI: 10.7270/Q2765K34 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM14777
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1 | PDB
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CHEMBL
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PDB
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| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE5 after 1.5 hrs by fluorescent polarization assay |
Eur J Med Chem 45: 1278-86 (2010)
Article DOI: 10.1016/j.ejmech.2009.10.046
BindingDB Entry DOI: 10.7270/Q26W9B6P |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM14390
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) | PDB
MMDB
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CHEMBL
MCE
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PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human PDE5A1 catalytic domain (Glu535 to Gln860 residues) expressed in Escherichia coli BL21 using [3H]-cGMP as substrate preincubated ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01120
BindingDB Entry DOI: 10.7270/Q2765K34 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity protein kinase CLK4
(Homo sapiens (Human)) | BDBM50592236
(CHEMBL5206943) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114411
BindingDB Entry DOI: 10.7270/Q29Z98V0 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50239782
(CHEMBL4082113)Show InChI InChI=1S/C18H16FNO2S/c1-20(11-12-4-3-5-14(19)8-12)18(21)17-10-13-9-15(22-2)6-7-16(13)23-17/h3-10H,11H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged Clk1 expressed in Escherichia coli using RS repeat substrate peptide after 15 mins in presence of [gamma-3... |
J Med Chem 60: 5377-5391 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01915
BindingDB Entry DOI: 10.7270/Q2862JMM |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50592248
(CHEMBL5178079)Show SMILES CC1N=CC(=N1)c1ccc2occ(-c3cccc(c3)-c3ccncc3)c2n1 |c:2,4| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114411
BindingDB Entry DOI: 10.7270/Q29Z98V0 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50592236
(CHEMBL5206943) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114411
BindingDB Entry DOI: 10.7270/Q29Z98V0 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Mus musculus) | 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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114411
BindingDB Entry DOI: 10.7270/Q29Z98V0 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK4
(Homo sapiens (Human)) | BDBM50592248
(CHEMBL5178079)Show SMILES CC1N=CC(=N1)c1ccc2occ(-c3cccc(c3)-c3ccncc3)c2n1 |c:2,4| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114411
BindingDB Entry DOI: 10.7270/Q29Z98V0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase haspin
(Homo sapiens (Human)) | BDBM50466167
(CHEMBL4278808)Show SMILES Oc1ccc(c(F)c1)-c1nc2ccc3[nH]ncc3c2c2CCCCc12 Show InChI InChI=1S/C20H16FN3O/c21-16-9-11(25)5-6-14(16)20-13-4-2-1-3-12(13)19-15-10-22-24-17(15)7-8-18(19)23-20/h5-10,25H,1-4H2,(H,22,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description
Inhibition of Haspin (unknown origin) after 3 hrs by ADP-Glo assay |
Eur J Med Chem 157: 1031-1050 (2018)
Article DOI: 10.1016/j.ejmech.2018.07.050
BindingDB Entry DOI: 10.7270/Q2280B8Q |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50592249
(CHEMBL5191395) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114411
BindingDB Entry DOI: 10.7270/Q29Z98V0 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50466158
(CHEMBL4290247)Show SMILES Fc1ccc(CC(=O)Nc2cncc(c2)-c2cc(cs2)-c2cccnc2)cc1 Show InChI InChI=1S/C22H16FN3OS/c23-19-5-3-15(4-6-19)8-22(27)26-20-9-17(12-25-13-20)21-10-18(14-28-21)16-2-1-7-24-11-16/h1-7,9-14H,8H2,(H,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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Dyrk1A expressed in Baculovirus expression system by Z'-LYTE assay |
Eur J Med Chem 157: 1031-1050 (2018)
Article DOI: 10.1016/j.ejmech.2018.07.050
BindingDB Entry DOI: 10.7270/Q2280B8Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50466158
(CHEMBL4290247)Show SMILES Fc1ccc(CC(=O)Nc2cncc(c2)-c2cc(cs2)-c2cccnc2)cc1 Show InChI InChI=1S/C22H16FN3OS/c23-19-5-3-15(4-6-19)8-22(27)26-20-9-17(12-25-13-20)21-10-18(14-28-21)16-2-1-7-24-11-16/h1-7,9-14H,8H2,(H,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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged DYRK1A expressed in Escherichia coli BL21(DE3) using KKISGRLSPIMTEQ-NH2 as substrate after 15 ... |
Eur J Med Chem 158: 270-285 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.097
BindingDB Entry DOI: 10.7270/Q2VH5RK5 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50466158
(CHEMBL4290247)Show SMILES Fc1ccc(CC(=O)Nc2cncc(c2)-c2cc(cs2)-c2cccnc2)cc1 Show InChI InChI=1S/C22H16FN3OS/c23-19-5-3-15(4-6-19)8-22(27)26-20-9-17(12-25-13-20)21-10-18(14-28-21)16-2-1-7-24-11-16/h1-7,9-14H,8H2,(H,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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length human Dyrk1A expressed in Baculovirus expression system using KKISGRLSPIMTEQ as substrate in presence of ATP |
Eur J Med Chem 157: 1031-1050 (2018)
Article DOI: 10.1016/j.ejmech.2018.07.050
BindingDB Entry DOI: 10.7270/Q2280B8Q |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK4
(Mus musculus) | 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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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114411
BindingDB Entry DOI: 10.7270/Q29Z98V0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50466168
(CHEMBL4282366)Show SMILES O=C(Cc1ccccc1)Nc1cncc(c1)-c1cc(cs1)-c1cccnc1 Show InChI InChI=1S/C22H17N3OS/c26-22(9-16-5-2-1-3-6-16)25-20-10-18(13-24-14-20)21-11-19(15-27-21)17-7-4-8-23-12-17/h1-8,10-15H,9H2,(H,25,26) | PDB
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German University in Cairo
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length human Dyrk1A expressed in Baculovirus expression system using KKISGRLSPIMTEQ as substrate in presence of ATP |
Eur J Med Chem 157: 1031-1050 (2018)
Article DOI: 10.1016/j.ejmech.2018.07.050
BindingDB Entry DOI: 10.7270/Q2280B8Q |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK2
(Homo sapiens (Human)) | BDBM50592246
(T3-CLK)Show SMILES CN1CCN(CC1)C(=O)C(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-c1ccncc1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114411
BindingDB Entry DOI: 10.7270/Q29Z98V0 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK4
(Mus musculus) | 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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German University in Cairo
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged mouse CLK4 expressed in Escherichia coli using NH2-RSPSYGRSRSRSRSRSRSRSRSNSRSRSY-OH as substrate after 10 mins in presence o... |
J Med Chem 60: 5377-5391 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01915
BindingDB Entry DOI: 10.7270/Q2862JMM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50592237
(CHEMBL5172542) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114411
BindingDB Entry DOI: 10.7270/Q29Z98V0 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50469213
(CHEMBL4278353)Show InChI InChI=1S/C16H14N4OS/c21-16(10-1-2-10)20-14-3-11(5-17-8-14)15-4-12(9-22-15)13-6-18-19-7-13/h3-10H,1-2H2,(H,18,19)(H,20,21) | PDB
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German University in Cairo
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged DYRK1A expressed in Escherichia coli BL21(DE3) using KKISGRLSPIMTEQ-NH2 as substrate after 15 ... |
Eur J Med Chem 158: 270-285 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.097
BindingDB Entry DOI: 10.7270/Q2VH5RK5 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK2
(Mus musculus) | BDBM50239782
(CHEMBL4082113)Show InChI InChI=1S/C18H16FNO2S/c1-20(11-12-4-3-5-14(19)8-12)18(21)17-10-13-9-15(22-2)6-7-16(13)23-17/h3-10H,11H2,1-2H3 | PDB
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German University in Cairo
Curated by ChEMBL
| Assay Description
Inhibition of recombinant GST-tagged mouse CLK2 using GRSRSRSRSRSR as substrate after 30 mins in presence of [gamma-32P]-ATP by scintillation countin... |
J Med Chem 60: 5377-5391 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01915
BindingDB Entry DOI: 10.7270/Q2862JMM |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Mus musculus) | 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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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114411
BindingDB Entry DOI: 10.7270/Q29Z98V0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity protein kinase CLK2
(Homo sapiens (Human)) | BDBM50592248
(CHEMBL5178079)Show SMILES CC1N=CC(=N1)c1ccc2occ(-c3cccc(c3)-c3ccncc3)c2n1 |c:2,4| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114411
BindingDB Entry DOI: 10.7270/Q29Z98V0 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50599470
(CHEMBL5179796)Show SMILES Oc1ccc2nc(NC(=O)Nc3ccc(NC(=O)Cc4ccccc4)cc3)sc2c1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113911
BindingDB Entry DOI: 10.7270/Q25D8WWR |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50566440
(CHEMBL4863072)Show SMILES COc1ccc(cc1F)C1CC(=NN1c1ccc(cc1)C(=O)N1CCN(C)CC1)C(C)(C)C |c:12| | PDB
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TBA
| Assay Description
Inhibition of recombinant full length GST-tagged PDE5A1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using TAMRA-cGMP as subst... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01120
BindingDB Entry DOI: 10.7270/Q2765K34 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50592238
(CHEMBL5191525) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114411
BindingDB Entry DOI: 10.7270/Q29Z98V0 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50566438
(CHEMBL4852714)Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(=O)N1CCN(C)CC1)c1ccccc1C |c:11| | PDB
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TBA
| Assay Description
Inhibition of recombinant full length GST-tagged PDE5A1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using TAMRA-cGMP as subst... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01120
BindingDB Entry DOI: 10.7270/Q2765K34 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50466164
(CHEMBL4283474)Show SMILES Fc1cc(F)c(C(=O)Nc2cncc(c2)-c2cc(cs2)-c2cccnc2)c(F)c1 Show InChI InChI=1S/C21H12F3N3OS/c22-15-6-17(23)20(18(24)7-15)21(28)27-16-4-13(9-26-10-16)19-5-14(11-29-19)12-2-1-3-25-8-12/h1-11H,(H,27,28) | PDB
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German University in Cairo
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length human Dyrk1A expressed in Baculovirus expression system using KKISGRLSPIMTEQ as substrate in presence of ATP |
Eur J Med Chem 157: 1031-1050 (2018)
Article DOI: 10.1016/j.ejmech.2018.07.050
BindingDB Entry DOI: 10.7270/Q2280B8Q |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50566437
(CHEMBL4867870)Show SMILES COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(=O)N1CCOCC1)c1ccccc1C |c:11| | PDB
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| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant full length GST-tagged PDE5A1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using TAMRA-cGMP as subst... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01120
BindingDB Entry DOI: 10.7270/Q2765K34 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50469215
(CHEMBL4281810)Show SMILES CCn1cc(cn1)-c1csc(c1)-c1cncc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C18H18N4OS/c1-2-22-10-15(8-20-22)14-6-17(24-11-14)13-5-16(9-19-7-13)21-18(23)12-3-4-12/h5-12H,2-4H2,1H3,(H,21,23) | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged DYRK1A expressed in Escherichia coli BL21(DE3) using KKISGRLSPIMTEQ-NH2 as substrate after 15 ... |
Eur J Med Chem 158: 270-285 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.097
BindingDB Entry DOI: 10.7270/Q2VH5RK5 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50592239
(CHEMBL5183331) | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114411
BindingDB Entry DOI: 10.7270/Q29Z98V0 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase haspin
(Homo sapiens (Human)) | BDBM50466158
(CHEMBL4290247)Show SMILES Fc1ccc(CC(=O)Nc2cncc(c2)-c2cc(cs2)-c2cccnc2)cc1 Show InChI InChI=1S/C22H16FN3OS/c23-19-5-3-15(4-6-19)8-22(27)26-20-9-17(12-25-13-20)21-10-18(14-28-21)16-2-1-7-24-11-16/h1-7,9-14H,8H2,(H,26,27) | PDB
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| Article
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| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human Haspin expressed in Baculovirus expression system by Adapta assay |
Eur J Med Chem 157: 1031-1050 (2018)
Article DOI: 10.1016/j.ejmech.2018.07.050
BindingDB Entry DOI: 10.7270/Q2280B8Q |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50466157
(CHEMBL4294049)Show SMILES COc1ccc(C(=O)Nc2cncc(c2)-c2cc(cs2)-c2cccnc2)c(F)c1 Show InChI InChI=1S/C22H16FN3O2S/c1-28-18-4-5-19(20(23)9-18)22(27)26-17-7-15(11-25-12-17)21-8-16(13-29-21)14-3-2-6-24-10-14/h2-13H,1H3,(H,26,27) | PDB
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Reactome pathway
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length human Dyrk1A expressed in Baculovirus expression system using KKISGRLSPIMTEQ as substrate in presence of ATP |
Eur J Med Chem 157: 1031-1050 (2018)
Article DOI: 10.1016/j.ejmech.2018.07.050
BindingDB Entry DOI: 10.7270/Q2280B8Q |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50316422
((5R,11aR)-5-(2-Bromophenyl)-2-ethyl-5,6,11,11a-tet...)Show SMILES CCn1c(O)c2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3Br)n2c1=O |r| Show InChI InChI=1S/C21H18BrN3O2/c1-2-24-20(26)17-11-14-12-7-4-6-10-16(12)23-18(14)19(25(17)21(24)27)13-8-3-5-9-15(13)22/h3-10,19,23,26H,2,11H2,1H3/t19-/m1/s1 | PDB
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| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE5 after 1.5 hrs by fluorescent polarization assay |
Eur J Med Chem 45: 1278-86 (2010)
Article DOI: 10.1016/j.ejmech.2009.10.046
BindingDB Entry DOI: 10.7270/Q26W9B6P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50566439
(CHEMBL4869439)Show SMILES COc1ccc(cc1F)C1CC(=NN1c1ccc(cc1)C(=O)N1CCN(C)CC1)c1ccccc1C |c:12| | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant full length GST-tagged PDE5A1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using TAMRA-cGMP as subst... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01120
BindingDB Entry DOI: 10.7270/Q2765K34 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50316440
((6R,12aS)-2-Benzyl-6-(2-bromophenyl)-2,3,6,7,12,12...)Show SMILES Brc1ccccc1[C@H]1N2[C@@H](Cc3c1[nH]c1ccccc31)C(=O)N(Cc1ccccc1)CC2=O |r| Show InChI InChI=1S/C27H22BrN3O2/c28-21-12-6-4-11-19(21)26-25-20(18-10-5-7-13-22(18)29-25)14-23-27(33)30(16-24(32)31(23)26)15-17-8-2-1-3-9-17/h1-13,23,26,29H,14-16H2/t23-,26+/m0/s1 | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDE5 after 1.5 hrs by fluorescent polarization assay |
Eur J Med Chem 45: 1278-86 (2010)
Article DOI: 10.1016/j.ejmech.2009.10.046
BindingDB Entry DOI: 10.7270/Q26W9B6P |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50469218
(CHEMBL4287985)Show InChI InChI=1S/C12H8N2S2/c1-2-9(5-13-3-1)11-4-10(7-15-11)12-6-14-8-16-12/h1-8H | PDB
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Reactome pathway
KEGG
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| PC cid
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UniChem
| Article
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| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged DYRK1A expressed in Escherichia coli BL21(DE3) using KKISGRLSPIMTEQ-NH2 as substrate after 15 ... |
Eur J Med Chem 158: 270-285 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.097
BindingDB Entry DOI: 10.7270/Q2VH5RK5 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50469214
(CHEMBL4292442)Show InChI InChI=1S/C17H16N4OS/c1-21-9-14(7-19-21)13-5-16(23-10-13)12-4-15(8-18-6-12)20-17(22)11-2-3-11/h4-11H,2-3H2,1H3,(H,20,22) | PDB
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Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged DYRK1A expressed in Escherichia coli BL21(DE3) using KKISGRLSPIMTEQ-NH2 as substrate after 15 ... |
Eur J Med Chem 158: 270-285 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.097
BindingDB Entry DOI: 10.7270/Q2VH5RK5 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50469211
(CHEMBL4283503)Show InChI InChI=1S/C18H15N3OS/c22-18(12-3-4-12)21-16-6-14(9-20-10-16)17-7-15(11-23-17)13-2-1-5-19-8-13/h1-2,5-12H,3-4H2,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description
Inhibition of DYRK1A in human HeLa cells harboring GFP-SF3b1-NT assessed as reduction in SF3b1 phosphorylation at T343 residue after 18 hrs by Wester... |
Eur J Med Chem 158: 270-285 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.097
BindingDB Entry DOI: 10.7270/Q2VH5RK5 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50599469
(CHEMBL5179350)Show SMILES Oc1ccc2nc(NC(=O)Nc3ccc(NS(=O)(=O)c4cccc(F)c4)cc3)sc2c1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113911
BindingDB Entry DOI: 10.7270/Q25D8WWR |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50239783
(CHEMBL4085557)Show InChI InChI=1S/C18H17NO2S/c1-19(12-13-6-4-3-5-7-13)18(20)17-11-14-10-15(21-2)8-9-16(14)22-17/h3-11H,12H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged Clk1 expressed in Escherichia coli using RS repeat substrate peptide after 15 mins in presence of [gamma-3... |
J Med Chem 60: 5377-5391 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01915
BindingDB Entry DOI: 10.7270/Q2862JMM |
More data for this
Ligand-Target Pair | |
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