Found 10 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase VRK1' 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 |
Serine/threonine-protein kinase VRK1
(Homo sapiens (Human)) | BDBM25017
(2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimeth...)Show SMILES CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12 Show InChI InChI=1S/C19H23F2N5O2/c1-10(2)5-6-26-11(3)18(28)25(4)15-9-22-19(24-17(15)26)23-12-7-13(20)16(27)14(21)8-12/h7-11,27H,5-6H2,1-4H3,(H,22,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Estadual de Campinas (UNICAMP)
Curated by ChEMBL
| Assay Description Inhibition of full length wild-type VRK1 (unknown origin) expressed in insect cells using ULight-Histone 3-Thr3 peptide as substrate incubated for 30... |
ACS Med Chem Lett 10: 1266-1271 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00082 BindingDB Entry DOI: 10.7270/Q2BP061J |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase VRK1
(Homo sapiens (Human)) | BDBM50502749
(CHEMBL4435359)Show SMILES Cc1ncc(cc1-c1cc(F)c(O)c(F)c1)-c1cc(F)c(O)c(F)c1 Show InChI InChI=1S/C18H11F4NO2/c1-8-12(10-5-15(21)18(25)16(22)6-10)2-11(7-23-8)9-3-13(19)17(24)14(20)4-9/h2-7,24-25H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Estadual de Campinas (UNICAMP)
Curated by ChEMBL
| Assay Description Inhibition of full length wild-type VRK1 (unknown origin) expressed in insect cells using ULight-Histone 3-Thr3 peptide as substrate incubated for 30... |
ACS Med Chem Lett 10: 1266-1271 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00082 BindingDB Entry DOI: 10.7270/Q2BP061J |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase VRK1
(Homo sapiens (Human)) | BDBM50502748
(CHEMBL4436323)Show SMILES Nc1ncc(cc1-c1cc(F)c(O)c(F)c1)-c1cc(F)c(O)c(F)c1 Show InChI InChI=1S/C17H10F4N2O2/c18-11-2-7(3-12(19)15(11)24)9-1-10(17(22)23-6-9)8-4-13(20)16(25)14(21)5-8/h1-6,24-25H,(H2,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Estadual de Campinas (UNICAMP)
Curated by ChEMBL
| Assay Description Inhibition of full length wild-type VRK1 (unknown origin) expressed in insect cells using ULight-Histone 3-Thr3 peptide as substrate incubated for 30... |
ACS Med Chem Lett 10: 1266-1271 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00082 BindingDB Entry DOI: 10.7270/Q2BP061J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase VRK1
(Homo sapiens (Human)) | BDBM50502751
(CHEMBL4452098)Show SMILES Nc1ncc(cc1-c1cc(F)c(O)c(F)c1)-c1ccc2ncsc2c1 Show InChI InChI=1S/C18H11F2N3OS/c19-13-4-10(5-14(20)17(13)24)12-3-11(7-22-18(12)21)9-1-2-15-16(6-9)25-8-23-15/h1-8,24H,(H2,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 674 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Estadual de Campinas (UNICAMP)
Curated by ChEMBL
| Assay Description Inhibition of full length wild-type VRK1 (unknown origin) expressed in insect cells using ULight-Histone 3-Thr3 peptide as substrate incubated for 30... |
ACS Med Chem Lett 10: 1266-1271 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00082 BindingDB Entry DOI: 10.7270/Q2BP061J |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase VRK1
(Homo sapiens (Human)) | 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 | 743 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida
Curated by ChEMBL
| Assay Description Inhibition of human VRK1 using KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK as substrate by [gamma-33P]-ATP assay |
Eur J Med Chem 161: 456-467 (2019)
Article DOI: 10.1016/j.ejmech.2018.10.052 BindingDB Entry DOI: 10.7270/Q2W380MT |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase VRK1
(Homo sapiens (Human)) | BDBM50519662
(CHEMBL4438748)Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1 Show InChI InChI=1S/C26H23N3O5/c1-29(2)20-8-6-17(7-9-20)26(32)28-19-5-3-4-18(14-19)27-25(31)16-34-21-10-11-22-23(30)12-13-33-24(22)15-21/h3-15H,16H2,1-2H3,(H,27,31)(H,28,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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MCE 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 |
TBA
Curated by ChEMBL
| Assay Description Inhibition of human VRK1 in presence of 10 uM ATP by radiometric analysis |
J Med Chem 62: 10691-10710 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01143 BindingDB Entry DOI: 10.7270/Q2MC93FG |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase VRK1
(Homo sapiens (Human)) | BDBM50001733
(CHEMBL3133821)Show InChI InChI=1S/C17H13N3O/c21-12-5-3-4-11(10-12)19-15-8-9-18-17-16(15)13-6-1-2-7-14(13)20-17/h1-10,21H,(H2,18,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther University Halle-Wittenberg
Curated by ChEMBL
| Assay Description Inhibition of human VRK1 |
Bioorg Med Chem Lett 24: 1948-51 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.002 BindingDB Entry DOI: 10.7270/Q2TM7CN0 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase VRK1
(Homo sapiens (Human)) | BDBM50135286
(CHEMBL3745885)Show SMILES Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F Show InChI InChI=1S/C22H15F2N5O3S/c1-29-20-13(9-19(21(29)30)33(31,32)18-5-2-14(23)10-16(18)24)11-26-22(28-20)27-15-3-4-17-12(8-15)6-7-25-17/h2-11,25H,1H3,(H,26,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description Inhibition of human VRK1 using [KEAKEKRQEQIAKRRRLSSLRASTSKSGGSQK] as substrate |
Bioorg Med Chem 24: 521-44 (2016)
Article DOI: 10.1016/j.bmc.2015.11.045 BindingDB Entry DOI: 10.7270/Q24Q7WT8 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase VRK1
(Homo sapiens (Human)) | BDBM50331612
(CHEMBL1290072 | N-(4-methoxybenzyl)benzofuro[2,3-b...)Show InChI InChI=1S/C19H16N2O2/c1-22-14-8-6-13(7-9-14)12-21-16-10-11-20-19-18(16)15-4-2-3-5-17(15)23-19/h2-11H,12H2,1H3,(H,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.29E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Martin Luther University Halle-Wittenberg
Curated by ChEMBL
| Assay Description Inhibition of human VRK1 |
Bioorg Med Chem Lett 20: 6915-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.004 BindingDB Entry DOI: 10.7270/Q2GF0TQS |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase VRK1
(Homo sapiens (Human)) | BDBM50502749
(CHEMBL4435359)Show SMILES Cc1ncc(cc1-c1cc(F)c(O)c(F)c1)-c1cc(F)c(O)c(F)c1 Show InChI InChI=1S/C18H11F4NO2/c1-8-12(10-5-15(21)18(25)16(22)6-10)2-11(7-23-8)9-3-13(19)17(24)14(20)4-9/h2-7,24-25H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a |
Universidade Estadual de Campinas (UNICAMP)
Curated by ChEMBL
| Assay Description Binding affinity to recombinant full length N-terminal His-tagged VRK1 (unknown origin) (1 to 396 residues) expressed in Escherichia coli BL 21 DE3-R... |
ACS Med Chem Lett 10: 1266-1271 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00082 BindingDB Entry DOI: 10.7270/Q2BP061J |
More data for this Ligand-Target Pair | |