Found 60 hits with Last Name = 'hanquet' and Initial = 'g' 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)) | BDBM50234807
(CHEMBL1738733)Show SMILES O=C1N=C(Nc2ccccc2)N=C1Cc1ccc2OCOc2c1 |c:12,t:2| 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/h1-7,9H,8,10H2,(H,18,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of DYRK1A (unknown origin) |
Eur J Med Chem 126: 754-761 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.003 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50130404
(CHEMBL3633687)Show SMILES CCn1cc(CN(Cc2ccc(nc2)-c2cc3nccc(Oc4ccc5oc(Nc6ccc(Cl)cc6)nc5c4)c3s2)C(C)C)nn1 Show InChI InChI=1S/C34H31ClN8O2S/c1-4-43-20-25(40-41-43)19-42(21(2)3)18-22-5-11-27(37-17-22)32-16-29-33(46-32)31(13-14-36-29)44-26-10-12-30-28(15-26)39-34(45-30)38-24-8-6-23(35)7-9-24/h5-17,20-21H,4,18-19H2,1-3H3,(H,38,39) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Strasbourg
Curated by ChEMBL
| Assay Description Inhibition of VEGFR2 (unknown origin) |
Eur J Med Chem 103: 105-22 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.012 BindingDB Entry DOI: 10.7270/Q2P84DQG |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM6878
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=S)Nc1c(F)cccc1F Show InChI InChI=1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of human CLK1 (148 to 484 residues) expressed in Escherichia coli BL21(DE3) preincubated for 10 mins followed by AFRREWSPGKEAKK substrate ... |
Eur J Med Chem 126: 754-761 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.003 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50234809
(CHEMBL4103030)Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2ccc3cc(OC)ccc3c2)c1 Show InChI InChI=1S/C23H22N2O5S/c1-4-31(26,27)19-9-10-21(29-3)20(13-19)25-23-24-14-22(30-23)17-6-5-16-12-18(28-2)8-7-15(16)11-17/h5-14H,4H2,1-3H3,(H,24,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of human CLK1 using substrate after 30 mins in presence of [gamma-33P]ATP by liquid scintillation counting |
Eur J Med Chem 126: 754-761 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.003 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50234808
(CHEMBL4090007)Show SMILES CCOC(=O)c1c(\C(=C\N)C#N)c2ccc(Cl)c(Cl)c2n1C 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/h4-6H,3,18H2,1-2H3/b8-6+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of human CLK1 (148 to 484 residues) expressed in Escherichia coli BL21(DE3) preincubated for 10 mins followed by AFRREWSPGKEAKK substrate ... |
Eur J Med Chem 126: 754-761 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.003 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM5875
(2-Anilino-5-aryloxazole 39 | N-[5-(Ethylsulfonyl)-...)Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cccc(c2)-c2ccccn2)c1 Show InChI InChI=1S/C23H21N3O4S/c1-3-31(27,28)18-10-11-21(29-2)20(14-18)26-23-25-15-22(30-23)17-8-6-7-16(13-17)19-9-4-5-12-24-19/h4-15H,3H2,1-2H3,(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of VEGFR2 (unknown origin) using substrate after 30 mins in presence of [gamma-33P]ATP by liquid scintillation counting |
Eur J Med Chem 126: 754-761 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.003 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM5875
(2-Anilino-5-aryloxazole 39 | N-[5-(Ethylsulfonyl)-...)Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cccc(c2)-c2ccccn2)c1 Show InChI InChI=1S/C23H21N3O4S/c1-3-31(27,28)18-10-11-21(29-2)20(14-18)26-23-25-15-22(30-23)17-8-6-7-16(13-17)19-9-4-5-12-24-19/h4-15H,3H2,1-2H3,(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Strasbourg
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged human recombinant VEGFR2 kinase expressed in Sf9 insect cells by radiometric protein kinase assay |
Eur J Med Chem 103: 105-22 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.012 BindingDB Entry DOI: 10.7270/Q2P84DQG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50234811
(CHEMBL4086603)Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2ccc(CC#N)c(c2)-c2ccccn2)c1 Show InChI InChI=1S/C25H22N4O4S/c1-3-34(30,31)19-9-10-23(32-2)22(15-19)29-25-28-16-24(33-25)18-8-7-17(11-12-26)20(14-18)21-6-4-5-13-27-21/h4-10,13-16H,3,11H2,1-2H3,(H,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of VEGFR2 (unknown origin) using substrate after 30 mins in presence of [gamma-33P]ATP by liquid scintillation counting |
Eur J Med Chem 126: 754-761 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.003 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase CLK3
(Homo sapiens (Human)) | BDBM6878
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=S)Nc1c(F)cccc1F Show InChI InChI=1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23) | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of human CLK3 (275 to 632 residues) expressed in Escherichia coli BL21(DE3) preincubated for 10 mins followed by substrate addition by pyr... |
Eur J Med Chem 126: 754-761 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.003 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50234812
(CHEMBL4078755)Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cc3ccccc3s2)c1 Show InChI InChI=1S/C20H18N2O4S2/c1-3-28(23,24)14-8-9-16(25-2)15(11-14)22-20-21-12-17(26-20)19-10-13-6-4-5-7-18(13)27-19/h4-12H,3H2,1-2H3,(H,21,22) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of human CLK1 using substrate after 30 mins in presence of [gamma-33P]ATP by liquid scintillation counting |
Eur J Med Chem 126: 754-761 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.003 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50234807
(CHEMBL1738733)Show SMILES O=C1N=C(Nc2ccccc2)N=C1Cc1ccc2OCOc2c1 |c:12,t:2| 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/h1-7,9H,8,10H2,(H,18,20,21) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of DYRK1B (unknown origin) |
Eur J Med Chem 126: 754-761 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.003 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Strasbourg
Curated by ChEMBL
| Assay Description Inhibition of VEGFR2 (unknown origin) |
Eur J Med Chem 103: 105-22 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.012 BindingDB Entry DOI: 10.7270/Q2P84DQG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50519874
(CHEMBL4582264)Show InChI InChI=1S/C11H8N4O3/c16-8(17)5-15-7-4-2-1-3-6(7)9-10(15)12-11(18)14-13-9/h1-4H,5H2,(H,16,17)(H,12,14,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of rat lens ALR2 using methylglyoxal as substrate incubated for 1 min and measured up to 4 mins by spectrophotometric analysis |
J Med Chem 63: 369-381 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01747 BindingDB Entry DOI: 10.7270/Q22F7RT7 |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50234810
(CHEMBL4065167)Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(\C=C\c3ccccc3)o2)c1 Show InChI InChI=1S/C20H20N2O4S/c1-3-27(23,24)17-11-12-19(25-2)18(13-17)22-20-21-14-16(26-20)10-9-15-7-5-4-6-8-15/h4-14H,3H2,1-2H3,(H,21,22)/b10-9+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of human CLK1 using substrate after 30 mins in presence of [gamma-33P]ATP by liquid scintillation counting |
Eur J Med Chem 126: 754-761 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.003 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50519874
(CHEMBL4582264)Show InChI InChI=1S/C11H8N4O3/c16-8(17)5-15-7-4-2-1-3-6(7)9-10(15)12-11(18)14-13-9/h1-4H,5H2,(H,16,17)(H,12,14,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of rat lens ALR2 using D,L-glyceraldehyde as substrate incubated for 1 min and measured up to 4 mins using H2O-dissolved compound by spect... |
J Med Chem 63: 369-381 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01747 BindingDB Entry DOI: 10.7270/Q22F7RT7 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50130405
(CHEMBL3633688)Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2ccc3c(n[nH]c3c2)-c2cnn[nH]2)c1 Show InChI InChI=1S/C23H19N7O/c1-14-3-2-4-18(11-14)26-23(31)25-17-8-5-15(6-9-17)16-7-10-19-20(12-16)27-29-22(19)21-13-24-30-28-21/h2-13H,1H3,(H,27,29)(H,24,28,30)(H2,25,26,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
Universit£ de Strasbourg
Curated by ChEMBL
| Assay Description Inhibition of His6-tagged KDR 789 to 1354 residues (unknown origin) using biotin-Ahx-AEEEYFFLA-amide substrate incubated for 60 mins by HTRF assay |
Eur J Med Chem 103: 105-22 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.012 BindingDB Entry DOI: 10.7270/Q2P84DQG |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50130403
(CHEMBL3633689)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(ccc3-n3ccnn3)C(F)(F)F)cc2)cc[n+]1[O-] Show InChI InChI=1S/C23H18F3N7O4/c1-27-21(34)20-13-17(8-10-33(20)36)37-16-5-3-15(4-6-16)29-22(35)30-18-12-14(23(24,25)26)2-7-19(18)32-11-9-28-31-32/h2-13H,1H3,(H,27,34)(H2,29,30,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Strasbourg
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged human KDR expressed in Sf21 cells using 4:1 polyglutamic acid/tyrosine substrate incubated for 15 mins by scintillation coun... |
Eur J Med Chem 103: 105-22 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.012 BindingDB Entry DOI: 10.7270/Q2P84DQG |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50519874
(CHEMBL4582264)Show InChI InChI=1S/C11H8N4O3/c16-8(17)5-15-7-4-2-1-3-6(7)9-10(15)12-11(18)14-13-9/h1-4H,5H2,(H,16,17)(H,12,14,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of rat lens ALR2 using D,L-glyceraldehyde as substrate incubated for 1 min and measured up to 4 mins using 1% DMSO-dissolved compound by s... |
J Med Chem 63: 369-381 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01747 BindingDB Entry DOI: 10.7270/Q22F7RT7 |
More data for this Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50234808
(CHEMBL4090007)Show SMILES CCOC(=O)c1c(\C(=C\N)C#N)c2ccc(Cl)c(Cl)c2n1C 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/h4-6H,3,18H2,1-2H3/b8-6+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of human DYRK1A preincubated for 10 mins followed by YRASPSRPESPRPPA-amide substrate addition by pyruvate kinase and lactate dehydrogenase... |
Eur J Med Chem 126: 754-761 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.003 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50519874
(CHEMBL4582264)Show InChI InChI=1S/C11H8N4O3/c16-8(17)5-15-7-4-2-1-3-6(7)9-10(15)12-11(18)14-13-9/h1-4H,5H2,(H,16,17)(H,12,14,18) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of human AKR1B1 expressed in Escherichia coli using D,L-glyceraldehyde as substrate incubated for 1 min and measured up to 4 mins using by... |
J Med Chem 63: 369-381 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01747 BindingDB Entry DOI: 10.7270/Q22F7RT7 |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50234811
(CHEMBL4086603)Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2ccc(CC#N)c(c2)-c2ccccn2)c1 Show InChI InChI=1S/C25H22N4O4S/c1-3-34(30,31)19-9-10-23(32-2)22(15-19)29-25-28-16-24(33-25)18-8-7-17(11-12-26)20(14-18)21-6-4-5-13-27-21/h4-10,13-16H,3,11H2,1-2H3,(H,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of human CLK1 using substrate after 30 mins in presence of [gamma-33P]ATP by liquid scintillation counting |
Eur J Med Chem 126: 754-761 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.003 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50519877
(CHEMBL4462469)Show InChI InChI=1S/C13H12N4O4/c1-21-7-17-13(20)14-12-11(15-17)8-4-2-3-5-9(8)16(12)6-10(18)19/h2-5H,6-7H2,1H3,(H,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of rat lens ALR2 using D,L-glyceraldehyde as substrate incubated for 1 min and measured up to 4 mins using H2O-dissolved compound by spect... |
J Med Chem 63: 369-381 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01747 BindingDB Entry DOI: 10.7270/Q22F7RT7 |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50080464
(ALR2 inhibitor, 12 | CHEMBL1405739)Show InChI InChI=1S/C11H8N4O2S/c16-8(17)5-15-7-4-2-1-3-6(7)9-10(15)12-11(18)14-13-9/h1-4H,5H2,(H,16,17)(H,12,14,18) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| Article PubMed
| n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of human AKR1B1 expressed in Escherichia coli using D,L-glyceraldehyde as substrate incubated for 1 min and measured up to 4 mins using by... |
J Med Chem 63: 369-381 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01747 BindingDB Entry DOI: 10.7270/Q22F7RT7 |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50080464
(ALR2 inhibitor, 12 | CHEMBL1405739)Show InChI InChI=1S/C11H8N4O2S/c16-8(17)5-15-7-4-2-1-3-6(7)9-10(15)12-11(18)14-13-9/h1-4H,5H2,(H,16,17)(H,12,14,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 116 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of rat lens ALR2 using D,L-glyceraldehyde as substrate incubated for 1 min and measured up to 4 mins using H2O-dissolved compound by spect... |
J Med Chem 63: 369-381 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01747 BindingDB Entry DOI: 10.7270/Q22F7RT7 |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50519877
(CHEMBL4462469)Show InChI InChI=1S/C13H12N4O4/c1-21-7-17-13(20)14-12-11(15-17)8-4-2-3-5-9(8)16(12)6-10(18)19/h2-5H,6-7H2,1H3,(H,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 118 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of rat lens ALR2 using D,L-glyceraldehyde as substrate incubated for 1 min and measured up to 4 mins using 1% DMSO-dissolved compound by s... |
J Med Chem 63: 369-381 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01747 BindingDB Entry DOI: 10.7270/Q22F7RT7 |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50519875
(CHEMBL4566195)Show InChI InChI=1S/C13H10N4O5/c18-9(19)5-16-8-4-2-1-3-7(8)11-12(16)14-13(22)17(15-11)6-10(20)21/h1-4H,5-6H2,(H,18,19)(H,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of rat lens ALR2 using D,L-glyceraldehyde as substrate incubated for 1 min and measured up to 4 mins using H2O-dissolved compound by spect... |
J Med Chem 63: 369-381 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01747 BindingDB Entry DOI: 10.7270/Q22F7RT7 |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50080464
(ALR2 inhibitor, 12 | CHEMBL1405739)Show InChI InChI=1S/C11H8N4O2S/c16-8(17)5-15-7-4-2-1-3-6(7)9-10(15)12-11(18)14-13-9/h1-4H,5H2,(H,16,17)(H,12,14,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 146 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of rat lens ALR2 using methylglyoxal as substrate incubated for 1 min and measured up to 4 mins by spectrophotometric analysis |
J Med Chem 63: 369-381 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01747 BindingDB Entry DOI: 10.7270/Q22F7RT7 |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50080464
(ALR2 inhibitor, 12 | CHEMBL1405739)Show InChI InChI=1S/C11H8N4O2S/c16-8(17)5-15-7-4-2-1-3-6(7)9-10(15)12-11(18)14-13-9/h1-4H,5H2,(H,16,17)(H,12,14,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 176 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of rat lens ALR2 using D,L-glyceraldehyde as substrate incubated for 1 min and measured up to 4 mins using 1% DMSO-dissolved compound by s... |
J Med Chem 63: 369-381 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01747 BindingDB Entry DOI: 10.7270/Q22F7RT7 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50363645
(DEBROMOHYMENIALDISINE)Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.8,t:1| Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 183 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of CHK2 (unknown origin) using polypeptide substrate after 40 mins in presence of [gamma-33P]ATP by scintillation counting method |
Eur J Med Chem 126: 754-761 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.003 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50234810
(CHEMBL4065167)Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(\C=C\c3ccccc3)o2)c1 Show InChI InChI=1S/C20H20N2O4S/c1-3-27(23,24)17-11-12-19(25-2)18(13-17)22-20-21-14-16(26-20)10-9-15-7-5-4-6-8-15/h4-14H,3H2,1-2H3,(H,21,22)/b10-9+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of CDK9/CyclinT (unknown origin) using substrate after 30 mins in presence of [gamma-33P]ATP by liquid scintillation counting |
Eur J Med Chem 126: 754-761 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.003 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM6878
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=S)Nc1c(F)cccc1F Show InChI InChI=1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of human GSK3beta using Biotin-labeled GSP-2 peptide substrate after 90 mins in presence of [gamma33-P]ATP by scintillation proximity assa... |
Eur J Med Chem 126: 754-761 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.003 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50519874
(CHEMBL4582264)Show InChI InChI=1S/C11H8N4O3/c16-8(17)5-15-7-4-2-1-3-6(7)9-10(15)12-11(18)14-13-9/h1-4H,5H2,(H,16,17)(H,12,14,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 216 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of rat lens ALR2 using 4-hydroxynonenal as substrate incubated for 1 min and measured up to 4 mins by spectrophotometric analysis |
J Med Chem 63: 369-381 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01747 BindingDB Entry DOI: 10.7270/Q22F7RT7 |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50519875
(CHEMBL4566195)Show InChI InChI=1S/C13H10N4O5/c18-9(19)5-16-8-4-2-1-3-7(8)11-12(16)14-13(22)17(15-11)6-10(20)21/h1-4H,5-6H2,(H,18,19)(H,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 233 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of rat lens ALR2 using D,L-glyceraldehyde as substrate incubated for 1 min and measured up to 4 mins using 1% DMSO-dissolved compound by s... |
J Med Chem 63: 369-381 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01747 BindingDB Entry DOI: 10.7270/Q22F7RT7 |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50519874
(CHEMBL4582264)Show InChI InChI=1S/C11H8N4O3/c16-8(17)5-15-7-4-2-1-3-6(7)9-10(15)12-11(18)14-13-9/h1-4H,5H2,(H,16,17)(H,12,14,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 292 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of rat lens ALR2 using 4-hydroxynonenal glutathione as substrate incubated for 1 min and measured up to 4 mins by spectrophotometric analy... |
J Med Chem 63: 369-381 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01747 BindingDB Entry DOI: 10.7270/Q22F7RT7 |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50519876
(CHEMBL4541343)Show InChI InChI=1S/C18H14N4O3/c23-15(24)11-21-14-9-5-4-8-13(14)16-17(21)19-18(25)22(20-16)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 434 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of rat lens ALR2 using D,L-glyceraldehyde as substrate incubated for 1 min and measured up to 4 mins using H2O-dissolved compound by spect... |
J Med Chem 63: 369-381 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01747 BindingDB Entry DOI: 10.7270/Q22F7RT7 |
More data for this Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50234812
(CHEMBL4078755)Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cc3ccccc3s2)c1 Show InChI InChI=1S/C20H18N2O4S2/c1-3-28(23,24)14-8-9-16(25-2)15(11-14)22-20-21-12-17(26-20)19-10-13-6-4-5-7-18(13)27-19/h4-12H,3H2,1-2H3,(H,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of DYRK1A (unknown origin) using substrate after 30 mins in presence of [gamma-33P]ATP by liquid scintillation counting |
Eur J Med Chem 126: 754-761 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.003 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase CLK3
(Homo sapiens (Human)) | BDBM50234808
(CHEMBL4090007)Show SMILES CCOC(=O)c1c(\C(=C\N)C#N)c2ccc(Cl)c(Cl)c2n1C 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/h4-6H,3,18H2,1-2H3/b8-6+ | PDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of human CLK3 (275 to 632 residues) expressed in Escherichia coli BL21(DE3) preincubated for 10 mins followed by substrate addition by pyr... |
Eur J Med Chem 126: 754-761 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.003 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50080464
(ALR2 inhibitor, 12 | CHEMBL1405739)Show InChI InChI=1S/C11H8N4O2S/c16-8(17)5-15-7-4-2-1-3-6(7)9-10(15)12-11(18)14-13-9/h1-4H,5H2,(H,16,17)(H,12,14,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 644 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of rat lens ALR2 using 4-hydroxynonenal as substrate incubated for 1 min and measured up to 4 mins by spectrophotometric analysis |
J Med Chem 63: 369-381 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01747 BindingDB Entry DOI: 10.7270/Q22F7RT7 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50363645
(DEBROMOHYMENIALDISINE)Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.8,t:1| Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 725 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of CHK1 (unknown origin) using polypeptide substrate after 40 mins in presence of [gamma-33P]ATP by scintillation counting method |
Eur J Med Chem 126: 754-761 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.003 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50519876
(CHEMBL4541343)Show InChI InChI=1S/C18H14N4O3/c23-15(24)11-21-14-9-5-4-8-13(14)16-17(21)19-18(25)22(20-16)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 787 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of rat lens ALR2 using D,L-glyceraldehyde as substrate incubated for 1 min and measured up to 4 mins using 1% DMSO-dissolved compound by s... |
J Med Chem 63: 369-381 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01747 BindingDB Entry DOI: 10.7270/Q22F7RT7 |
More data for this Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50234809
(CHEMBL4103030)Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2ccc3cc(OC)ccc3c2)c1 Show InChI InChI=1S/C23H22N2O5S/c1-4-31(26,27)19-9-10-21(29-3)20(13-19)25-23-24-14-22(30-23)17-6-5-16-12-18(28-2)8-7-15(16)11-17/h5-14H,4H2,1-3H3,(H,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of DYRK1A (unknown origin) using substrate after 30 mins in presence of [gamma-33P]ATP by liquid scintillation counting |
Eur J Med Chem 126: 754-761 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.003 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50080464
(ALR2 inhibitor, 12 | CHEMBL1405739)Show InChI InChI=1S/C11H8N4O2S/c16-8(17)5-15-7-4-2-1-3-6(7)9-10(15)12-11(18)14-13-9/h1-4H,5H2,(H,16,17)(H,12,14,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of rat lens ALR2 using 4-hydroxynonenal glutathione as substrate incubated for 1 min and measured up to 4 mins by spectrophotometric analy... |
J Med Chem 63: 369-381 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01747 BindingDB Entry DOI: 10.7270/Q22F7RT7 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50130408
(CHEMBL3633692)Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2cn(nn2)-c2ccc(O)c(c2)-c2ccccn2)c1 Show InChI InChI=1S/C22H21N5O4S/c1-3-32(29,30)16-8-10-21(31-2)19(13-16)24-22-14-27(26-25-22)15-7-9-20(28)17(12-15)18-6-4-5-11-23-18/h4-14,24,28H,3H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Strasbourg
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged human recombinant VEGFR2 kinase expressed in Sf9 insect cells by radiometric protein kinase assay |
Eur J Med Chem 103: 105-22 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.012 BindingDB Entry DOI: 10.7270/Q2P84DQG |
More data for this Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50234810
(CHEMBL4065167)Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(\C=C\c3ccccc3)o2)c1 Show InChI InChI=1S/C20H20N2O4S/c1-3-27(23,24)17-11-12-19(25-2)18(13-17)22-20-21-14-16(26-20)10-9-15-7-5-4-6-8-15/h4-14H,3H2,1-2H3,(H,21,22)/b10-9+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of DYRK1A (unknown origin) using substrate after 30 mins in presence of [gamma-33P]ATP by liquid scintillation counting |
Eur J Med Chem 126: 754-761 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.003 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50234810
(CHEMBL4065167)Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(\C=C\c3ccccc3)o2)c1 Show InChI InChI=1S/C20H20N2O4S/c1-3-27(23,24)17-11-12-19(25-2)18(13-17)22-20-21-14-16(26-20)10-9-15-7-5-4-6-8-15/h4-14H,3H2,1-2H3,(H,21,22)/b10-9+ | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of GSK3 alpha/beta (unknown origin) using substrate after 30 mins in presence of [gamma-33P]ATP by liquid scintillation counting |
Eur J Med Chem 126: 754-761 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.003 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50130410
(CHEMBL3633690)Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2cn(nn2)-c2ccc(O)c(c2)-c2cc[nH]c2)c1 Show InChI InChI=1S/C21H21N5O4S/c1-3-31(28,29)16-5-7-20(30-2)18(11-16)23-21-13-26(25-24-21)15-4-6-19(27)17(10-15)14-8-9-22-12-14/h4-13,22-23,27H,3H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Strasbourg
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged human recombinant VEGFR2 kinase expressed in Sf9 insect cells by radiometric protein kinase assay |
Eur J Med Chem 103: 105-22 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.012 BindingDB Entry DOI: 10.7270/Q2P84DQG |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50130406
(CHEMBL3633696)Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2cn(nn2)-c2cccc(c2)-c2ccccn2)c1 Show InChI InChI=1S/C22H21N5O3S/c1-3-31(28,29)18-10-11-21(30-2)20(14-18)24-22-15-27(26-25-22)17-8-6-7-16(13-17)19-9-4-5-12-23-19/h4-15,24H,3H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Strasbourg
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged human recombinant VEGFR2 kinase expressed in Sf9 insect cells by radiometric protein kinase assay |
Eur J Med Chem 103: 105-22 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.012 BindingDB Entry DOI: 10.7270/Q2P84DQG |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member B10
(Homo sapiens (Human)) | BDBM50519874
(CHEMBL4582264)Show InChI InChI=1S/C11H8N4O3/c16-8(17)5-15-7-4-2-1-3-6(7)9-10(15)12-11(18)14-13-9/h1-4H,5H2,(H,16,17)(H,12,14,18) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.62E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Comenius University in Bratislava
Curated by ChEMBL
| Assay Description Inhibition of human AKR1B10 using D,L-glyceraldehyde as substrate incubated for 1 min and measured up to 4 mins using by spectrophotometric analysis |
J Med Chem 63: 369-381 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01747 BindingDB Entry DOI: 10.7270/Q22F7RT7 |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50130409
(CHEMBL3633691)Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2cn(nn2)-c2ccc(NC(N)=O)c(c2)-c2cccc3ccccc23)c1 Show InChI InChI=1S/C28H26N6O4S/c1-3-39(36,37)20-12-14-26(38-2)25(16-20)30-27-17-34(33-32-27)19-11-13-24(31-28(29)35)23(15-19)22-10-6-8-18-7-4-5-9-21(18)22/h4-17,30H,3H2,1-2H3,(H3,29,31,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Strasbourg
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged human recombinant VEGFR2 kinase expressed in Sf9 insect cells by radiometric protein kinase assay |
Eur J Med Chem 103: 105-22 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.012 BindingDB Entry DOI: 10.7270/Q2P84DQG |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50130407
(CHEMBL3633695)Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2cn(nn2)-c2cccc(c2)-c2cccnc2)c1 Show InChI InChI=1S/C22H21N5O3S/c1-3-31(28,29)19-9-10-21(30-2)20(13-19)24-22-15-27(26-25-22)18-8-4-6-16(12-18)17-7-5-11-23-14-17/h4-15,24H,3H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Strasbourg
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged human recombinant VEGFR2 kinase expressed in Sf9 insect cells by radiometric protein kinase assay |
Eur J Med Chem 103: 105-22 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.012 BindingDB Entry DOI: 10.7270/Q2P84DQG |
More data for this Ligand-Target Pair | |