Found 119 hits with Last Name = 'anumala' and Initial = 'ur' 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 |
Microtubule-associated protein tau
(Homo sapiens (Human)) | BDBM50402408
(CHEMBL2203332)Show SMILES CCCC[N+]1=C(\C=C\c2ccc(cc2)N(CC)CC)C(C)(C)c2ccccc12 |c:4| Show InChI InChI=1S/C26H35N2/c1-6-9-20-28-24-13-11-10-12-23(24)26(4,5)25(28)19-16-21-14-17-22(18-15-21)27(7-2)8-3/h10-19H,6-9,20H2,1-5H3/q+1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.41 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Displacement of thiazine red R from human Tau aggregate expressed in Escherichia coli after 30 mins by fluorimetric analysis |
Bioorg Med Chem Lett 22: 7667-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.109 BindingDB Entry DOI: 10.7270/Q2TQ62PC |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM50389079
(CHEMBL2064532)Show SMILES Fc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCOc4c3)cc2)c(c1)C#N Show InChI InChI=1S/C23H14FN3O3S/c24-18-6-7-19(17(9-18)11-25)15-3-1-14(2-4-15)12-31-23-27-26-22(30-23)16-5-8-20-21(10-16)29-13-28-20/h1-10H,12-13H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3alpha |
J Med Chem 55: 4407-24 (2012)
Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM50389083
(CHEMBL2064535)Show SMILES Fc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCCOc4c3)cc2)c(c1)C#N Show InChI InChI=1S/C24H16FN3O3S/c25-19-6-7-20(18(11-19)13-26)16-3-1-15(2-4-16)14-32-24-28-27-23(31-24)17-5-8-21-22(12-17)30-10-9-29-21/h1-8,11-12H,9-10,14H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3alpha |
J Med Chem 55: 4407-24 (2012)
Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50389081
(CHEMBL2064534)Show SMILES N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1 Show InChI InChI=1S/C24H17N3O3S/c25-14-19-3-1-2-4-20(19)17-7-5-16(6-8-17)15-31-24-27-26-23(30-24)18-9-10-21-22(13-18)29-12-11-28-21/h1-10,13H,11-12,15H2 | 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 | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins |
J Med Chem 55: 4407-24 (2012)
Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM50389081
(CHEMBL2064534)Show SMILES N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1 Show InChI InChI=1S/C24H17N3O3S/c25-14-19-3-1-2-4-20(19)17-7-5-16(6-8-17)15-31-24-27-26-23(30-24)18-9-10-21-22(13-18)29-12-11-28-21/h1-10,13H,11-12,15H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3alpha |
J Med Chem 55: 4407-24 (2012)
Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM50389087
(CHEMBL2064533)Show SMILES N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1 Show InChI InChI=1S/C23H15N3O3S/c24-12-18-3-1-2-4-19(18)16-7-5-15(6-8-16)13-30-23-26-25-22(29-23)17-9-10-20-21(11-17)28-14-27-20/h1-11H,13-14H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <5 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3alpha |
J Med Chem 55: 4407-24 (2012)
Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0 |
More data for this Ligand-Target Pair | |
Microtubule-associated protein tau
(Homo sapiens (Human)) | BDBM50402407
(CHEMBL2207756)Show SMILES C[N+]1=C(\C=C\c2ccc(cc2)N2CCCC2)C(C)(C)c2ccccc12 |c:1| Show InChI InChI=1S/C23H27N2/c1-23(2)20-8-4-5-9-21(20)24(3)22(23)15-12-18-10-13-19(14-11-18)25-16-6-7-17-25/h4-5,8-15H,6-7,16-17H2,1-3H3/q+1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Displacement of thiazine red R from human Tau aggregate expressed in Escherichia coli after 30 mins by fluorimetric analysis |
Bioorg Med Chem Lett 22: 7667-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.109 BindingDB Entry DOI: 10.7270/Q2TQ62PC |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM50389080
(CHEMBL2064515)Show SMILES N#Cc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1 Show InChI InChI=1S/C23H15N3O3S/c24-12-15-1-5-17(6-2-15)18-7-3-16(4-8-18)13-30-23-26-25-22(29-23)19-9-10-20-21(11-19)28-14-27-20/h1-11H,13-14H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3alpha |
J Med Chem 55: 4407-24 (2012)
Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0 |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50250875
(CHEMBL4095003)Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:20.25,wD:18.20,(25.39,-29.03,;24.05,-29.8,;24.05,-31.34,;22.72,-32.11,;21.39,-31.34,;21.39,-29.8,;22.72,-29.03,;22.72,-27.49,;23.97,-26.59,;23.49,-25.13,;21.95,-25.13,;21.48,-26.59,;20.01,-27.07,;19.69,-28.57,;18.22,-29.05,;17.08,-28.02,;17.4,-26.52,;18.87,-26.04,;25.43,-27.07,;26.13,-28.44,;27.5,-27.74,;26.8,-26.37,;28.97,-28.22,;29.44,-29.68,;28.67,-31.01,;29.44,-32.35,;30.98,-32.35,;31.75,-31.01,;30.98,-29.68,;31.46,-28.22,;30.21,-27.31,;30.21,-25.77,;31.75,-33.68,;32.52,-35.01,)| Show InChI InChI=1S/C24H17ClN8O/c25-17-3-1-2-4-20(17)33-22(30-31-23(33)18-7-8-27-13-28-18)15-10-16(11-15)32-21-6-5-14(12-26)9-19(21)29-24(32)34/h1-9,13,15-16H,10-11H2,(H,29,34)/t15-,16- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Leibniz-Forschungsinstitut f�r Molekulare Pharmakologie (FMP)
Curated by ChEMBL
| Assay Description Inhibition of human TNKS2 (873 to 1162 residues) assessed as reduction in NAD+ consumption by fluorescence assay |
J Med Chem 60: 10013-10025 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00883 BindingDB Entry DOI: 10.7270/Q2CJ8GXG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM50389086
(CHEMBL2064531)Show SMILES C(Sc1nnc(o1)-c1ccc2OCOc2c1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H16N2O3S/c1-2-4-16(5-3-1)17-8-6-15(7-9-17)13-28-22-24-23-21(27-22)18-10-11-19-20(12-18)26-14-25-19/h1-12H,13-14H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3alpha |
J Med Chem 55: 4407-24 (2012)
Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0 |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50250878
(CHEMBL4074540)Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)n1c2ccccc2[nH]c1=O |r,wU:20.25,wD:18.20,(23.76,-26.81,;22.43,-27.58,;22.43,-29.12,;21.1,-29.89,;19.76,-29.12,;19.76,-27.58,;21.1,-26.81,;21.1,-25.27,;22.34,-24.37,;21.87,-22.9,;20.33,-22.9,;19.85,-24.37,;18.38,-24.85,;18.06,-26.35,;16.6,-26.83,;15.46,-25.8,;15.78,-24.29,;17.24,-23.81,;23.81,-24.85,;24.5,-26.22,;25.88,-25.51,;25.18,-24.14,;27.34,-25.99,;27.81,-27.46,;27.05,-28.79,;27.81,-30.12,;29.35,-30.12,;30.12,-28.79,;29.35,-27.46,;29.83,-25.99,;28.58,-25.09,;28.58,-23.55,)| Show InChI InChI=1S/C23H18ClN7O/c24-16-5-1-3-7-19(16)31-21(28-29-22(31)18-9-10-25-13-26-18)14-11-15(12-14)30-20-8-4-2-6-17(20)27-23(30)32/h1-10,13-15H,11-12H2,(H,27,32)/t14-,15- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Leibniz-Forschungsinstitut f�r Molekulare Pharmakologie (FMP)
Curated by ChEMBL
| Assay Description Inhibition of human TNKS2 (873 to 1162 residues) assessed as reduction in NAD+ consumption by fluorescence assay |
J Med Chem 60: 10013-10025 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00883 BindingDB Entry DOI: 10.7270/Q2CJ8GXG |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM50389085
(CHEMBL2064520)Show SMILES COC(=O)c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1 Show InChI InChI=1S/C19H16N2O5S/c1-23-18(22)13-4-2-12(3-5-13)11-27-19-21-20-17(26-19)14-6-7-15-16(10-14)25-9-8-24-15/h2-7,10H,8-9,11H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3alpha |
J Med Chem 55: 4407-24 (2012)
Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM50389089
(CHEMBL2064517)Show InChI InChI=1S/C17H11N3O3S/c18-8-11-1-3-12(4-2-11)9-24-17-20-19-16(23-17)13-5-6-14-15(7-13)22-10-21-14/h1-7H,9-10H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3alpha |
J Med Chem 55: 4407-24 (2012)
Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM50389088
(CHEMBL2064516)Show InChI InChI=1S/C17H11N3O3S/c18-8-11-2-1-3-12(6-11)9-24-17-20-19-16(23-17)13-4-5-14-15(7-13)22-10-21-14/h1-7H,9-10H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3alpha |
J Med Chem 55: 4407-24 (2012)
Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM50389078
(CHEMBL2064539)Show SMILES COC[C@H]1COc2ccc(cc2O1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1 |r| Show InChI InChI=1S/C26H21N3O4S/c1-30-14-21-15-31-23-11-10-19(12-24(23)32-21)25-28-29-26(33-25)34-16-17-6-8-18(9-7-17)22-5-3-2-4-20(22)13-27/h2-12,21H,14-16H2,1H3/t21-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3alpha |
J Med Chem 55: 4407-24 (2012)
Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM50389082
(CHEMBL2064536)Show InChI InChI=1S/C21H14N4OS/c22-13-18-3-1-2-4-19(18)16-7-5-15(6-8-16)14-27-21-25-24-20(26-21)17-9-11-23-12-10-17/h1-12H,14H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3alpha |
J Med Chem 55: 4407-24 (2012)
Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0 |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50250875
(CHEMBL4095003)Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:20.25,wD:18.20,(25.39,-29.03,;24.05,-29.8,;24.05,-31.34,;22.72,-32.11,;21.39,-31.34,;21.39,-29.8,;22.72,-29.03,;22.72,-27.49,;23.97,-26.59,;23.49,-25.13,;21.95,-25.13,;21.48,-26.59,;20.01,-27.07,;19.69,-28.57,;18.22,-29.05,;17.08,-28.02,;17.4,-26.52,;18.87,-26.04,;25.43,-27.07,;26.13,-28.44,;27.5,-27.74,;26.8,-26.37,;28.97,-28.22,;29.44,-29.68,;28.67,-31.01,;29.44,-32.35,;30.98,-32.35,;31.75,-31.01,;30.98,-29.68,;31.46,-28.22,;30.21,-27.31,;30.21,-25.77,;31.75,-33.68,;32.52,-35.01,)| Show InChI InChI=1S/C24H17ClN8O/c25-17-3-1-2-4-20(17)33-22(30-31-23(33)18-7-8-27-13-28-18)15-10-16(11-15)32-21-6-5-14(12-26)9-19(21)29-24(32)34/h1-9,13,15-16H,10-11H2,(H,29,34)/t15-,16- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Leibniz-Forschungsinstitut f�r Molekulare Pharmakologie (FMP)
Curated by ChEMBL
| Assay Description Inhibition of TNKS2 (unknown origin) expressed in HEK293 cells assessed as inhibition of Wnt3a-induced Wnt/beta-catenin signaling after 24 hrs by luc... |
J Med Chem 60: 10013-10025 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00883 BindingDB Entry DOI: 10.7270/Q2CJ8GXG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50389079
(CHEMBL2064532)Show SMILES Fc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCOc4c3)cc2)c(c1)C#N Show InChI InChI=1S/C23H14FN3O3S/c24-18-6-7-19(17(9-18)11-25)15-3-1-14(2-4-15)12-31-23-27-26-22(30-23)16-5-8-20-21(10-16)29-13-28-20/h1-10H,12-13H2 | 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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins |
J Med Chem 55: 4407-24 (2012)
Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0 |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50250875
(CHEMBL4095003)Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:20.25,wD:18.20,(25.39,-29.03,;24.05,-29.8,;24.05,-31.34,;22.72,-32.11,;21.39,-31.34,;21.39,-29.8,;22.72,-29.03,;22.72,-27.49,;23.97,-26.59,;23.49,-25.13,;21.95,-25.13,;21.48,-26.59,;20.01,-27.07,;19.69,-28.57,;18.22,-29.05,;17.08,-28.02,;17.4,-26.52,;18.87,-26.04,;25.43,-27.07,;26.13,-28.44,;27.5,-27.74,;26.8,-26.37,;28.97,-28.22,;29.44,-29.68,;28.67,-31.01,;29.44,-32.35,;30.98,-32.35,;31.75,-31.01,;30.98,-29.68,;31.46,-28.22,;30.21,-27.31,;30.21,-25.77,;31.75,-33.68,;32.52,-35.01,)| Show InChI InChI=1S/C24H17ClN8O/c25-17-3-1-2-4-20(17)33-22(30-31-23(33)18-7-8-27-13-28-18)15-10-16(11-15)32-21-6-5-14(12-26)9-19(21)29-24(32)34/h1-9,13,15-16H,10-11H2,(H,29,34)/t15-,16- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Leibniz-Forschungsinstitut f�r Molekulare Pharmakologie (FMP)
Curated by ChEMBL
| Assay Description Inhibition of recombinant human 6xHis-tagged TNKS1 ART domain (1030 to 1317 residues) expressed in Escherichia coli Rosetta2 (DE3) cells using NAD+ a... |
J Med Chem 60: 10013-10025 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00883 BindingDB Entry DOI: 10.7270/Q2CJ8GXG |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50250875
(CHEMBL4095003)Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:20.25,wD:18.20,(25.39,-29.03,;24.05,-29.8,;24.05,-31.34,;22.72,-32.11,;21.39,-31.34,;21.39,-29.8,;22.72,-29.03,;22.72,-27.49,;23.97,-26.59,;23.49,-25.13,;21.95,-25.13,;21.48,-26.59,;20.01,-27.07,;19.69,-28.57,;18.22,-29.05,;17.08,-28.02,;17.4,-26.52,;18.87,-26.04,;25.43,-27.07,;26.13,-28.44,;27.5,-27.74,;26.8,-26.37,;28.97,-28.22,;29.44,-29.68,;28.67,-31.01,;29.44,-32.35,;30.98,-32.35,;31.75,-31.01,;30.98,-29.68,;31.46,-28.22,;30.21,-27.31,;30.21,-25.77,;31.75,-33.68,;32.52,-35.01,)| Show InChI InChI=1S/C24H17ClN8O/c25-17-3-1-2-4-20(17)33-22(30-31-23(33)18-7-8-27-13-28-18)15-10-16(11-15)32-21-6-5-14(12-26)9-19(21)29-24(32)34/h1-9,13,15-16H,10-11H2,(H,29,34)/t15-,16- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Leibniz-Forschungsinstitut f�r Molekulare Pharmakologie (FMP)
Curated by ChEMBL
| Assay Description Inhibition of recombinant human 6xHis-tagged TNKS1 ART domain (1030 to 1317 residues) expressed in Escherichia coli Rosetta2 (DE3) cells using NAD+ a... |
J Med Chem 60: 10013-10025 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00883 BindingDB Entry DOI: 10.7270/Q2CJ8GXG |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50389085
(CHEMBL2064520)Show SMILES COC(=O)c1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1 Show InChI InChI=1S/C19H16N2O5S/c1-23-18(22)13-4-2-12(3-5-13)11-27-19-21-20-17(26-19)14-6-7-15-16(10-14)25-9-8-24-15/h2-7,10H,8-9,11H2,1H3 | 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 | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins |
J Med Chem 55: 4407-24 (2012)
Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50389087
(CHEMBL2064533)Show SMILES N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1 Show InChI InChI=1S/C23H15N3O3S/c24-12-18-3-1-2-4-19(18)16-7-5-15(6-8-16)13-30-23-26-25-22(29-23)17-9-10-20-21(11-17)28-14-27-20/h1-11H,13-14H2 | PDB MMDB
NCI pathway 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 | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins |
J Med Chem 55: 4407-24 (2012)
Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50389082
(CHEMBL2064536)Show InChI InChI=1S/C21H14N4OS/c22-13-18-3-1-2-4-19(18)16-7-5-15(6-8-16)14-27-21-25-24-20(26-21)17-9-11-23-12-10-17/h1-12H,14H2 | 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 | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins |
J Med Chem 55: 4407-24 (2012)
Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM50389091
(CHEMBL2064519)Show InChI InChI=1S/C18H13N3O3S/c19-10-12-1-3-13(4-2-12)11-25-18-21-20-17(24-18)14-5-6-15-16(9-14)23-8-7-22-15/h1-6,9H,7-8,11H2 | PDB MMDB
NCI pathway Reactome pathway 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 |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3alpha |
J Med Chem 55: 4407-24 (2012)
Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM50389078
(CHEMBL2064539)Show SMILES COC[C@H]1COc2ccc(cc2O1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1 |r| Show InChI InChI=1S/C26H21N3O4S/c1-30-14-21-15-31-23-11-10-19(12-24(23)32-21)25-28-29-26(33-25)34-16-17-6-8-18(9-7-17)22-5-3-2-4-20(22)13-27/h2-12,21H,14-16H2,1H3/t21-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3alpha |
J Med Chem 55: 4407-24 (2012)
Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50389088
(CHEMBL2064516)Show InChI InChI=1S/C17H11N3O3S/c18-8-11-2-1-3-12(6-11)9-24-17-20-19-16(23-17)13-4-5-14-15(7-13)22-10-21-14/h1-7H,9-10H2 | 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 | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins |
J Med Chem 55: 4407-24 (2012)
Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0 |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50250875
(CHEMBL4095003)Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:20.25,wD:18.20,(25.39,-29.03,;24.05,-29.8,;24.05,-31.34,;22.72,-32.11,;21.39,-31.34,;21.39,-29.8,;22.72,-29.03,;22.72,-27.49,;23.97,-26.59,;23.49,-25.13,;21.95,-25.13,;21.48,-26.59,;20.01,-27.07,;19.69,-28.57,;18.22,-29.05,;17.08,-28.02,;17.4,-26.52,;18.87,-26.04,;25.43,-27.07,;26.13,-28.44,;27.5,-27.74,;26.8,-26.37,;28.97,-28.22,;29.44,-29.68,;28.67,-31.01,;29.44,-32.35,;30.98,-32.35,;31.75,-31.01,;30.98,-29.68,;31.46,-28.22,;30.21,-27.31,;30.21,-25.77,;31.75,-33.68,;32.52,-35.01,)| Show InChI InChI=1S/C24H17ClN8O/c25-17-3-1-2-4-20(17)33-22(30-31-23(33)18-7-8-27-13-28-18)15-10-16(11-15)32-21-6-5-14(12-26)9-19(21)29-24(32)34/h1-9,13,15-16H,10-11H2,(H,29,34)/t15-,16- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Leibniz-Forschungsinstitut f�r Molekulare Pharmakologie (FMP)
Curated by ChEMBL
| Assay Description Inhibition of TNKS2 (unknown origin) transfected in human SW480 cells assessed as inhibition of Wnt3a-induced Wnt/beta-catenin signaling after 48 hrs... |
J Med Chem 60: 10013-10025 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00883 BindingDB Entry DOI: 10.7270/Q2CJ8GXG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50389090
(CHEMBL2064518)Show InChI InChI=1S/C18H13N3O3S/c19-10-12-2-1-3-13(8-12)11-25-18-21-20-17(24-18)14-4-5-15-16(9-14)23-7-6-22-15/h1-5,8-9H,6-7,11H2 | 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 | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins |
J Med Chem 55: 4407-24 (2012)
Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM50389090
(CHEMBL2064518)Show InChI InChI=1S/C18H13N3O3S/c19-10-12-2-1-3-13(8-12)11-25-18-21-20-17(24-18)14-4-5-15-16(9-14)23-7-6-22-15/h1-5,8-9H,6-7,11H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3alpha |
J Med Chem 55: 4407-24 (2012)
Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM50389093
(CHEMBL2064522)Show SMILES C(Sc1nnc(o1)-c1ccc2OCOc2c1)c1ccc(cc1)-c1nnn[nH]1 Show InChI InChI=1S/C17H12N6O3S/c1-3-11(15-18-22-23-19-15)4-2-10(1)8-27-17-21-20-16(26-17)12-5-6-13-14(7-12)25-9-24-13/h1-7H,8-9H2,(H,18,19,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3alpha |
J Med Chem 55: 4407-24 (2012)
Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0 |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50250876
(CHEMBL4102763)Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1CC[C@@H](CC1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:21.27,wD:18.20,(22.84,-14.09,;21.51,-14.87,;21.51,-16.4,;20.17,-17.18,;18.84,-16.4,;18.84,-14.87,;20.17,-14.09,;20.17,-12.09,;21.42,-11.18,;20.95,-9.72,;19.4,-9.72,;18.93,-11.18,;17.46,-11.67,;17.14,-13.17,;15.68,-13.64,;14.53,-12.62,;14.85,-11.11,;16.32,-10.63,;22.88,-11.67,;23.21,-13.17,;24.67,-13.64,;25.82,-12.62,;25.5,-11.11,;24.03,-10.63,;27.28,-13.09,;27.76,-14.55,;26.98,-15.89,;27.76,-17.22,;29.3,-17.22,;30.07,-15.89,;29.3,-14.55,;29.78,-13.09,;28.53,-12.18,;28.53,-10.65,;30.07,-18.57,;30.84,-19.91,)| Show InChI InChI=1S/C26H21ClN8O/c27-19-3-1-2-4-22(19)35-24(32-33-25(35)20-11-12-29-15-30-20)17-6-8-18(9-7-17)34-23-10-5-16(14-28)13-21(23)31-26(34)36/h1-5,10-13,15,17-18H,6-9H2,(H,31,36)/t17-,18- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Leibniz-Forschungsinstitut f�r Molekulare Pharmakologie (FMP)
Curated by ChEMBL
| Assay Description Inhibition of TNKS2 (unknown origin) expressed in HEK293 cells assessed as inhibition of Wnt3a-induced Wnt/beta-catenin signaling after 24 hrs by luc... |
J Med Chem 60: 10013-10025 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00883 BindingDB Entry DOI: 10.7270/Q2CJ8GXG |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50389078
(CHEMBL2064539)Show SMILES COC[C@H]1COc2ccc(cc2O1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1 |r| Show InChI InChI=1S/C26H21N3O4S/c1-30-14-21-15-31-23-11-10-19(12-24(23)32-21)25-28-29-26(33-25)34-16-17-6-8-18(9-7-17)22-5-3-2-4-20(22)13-27/h2-12,21H,14-16H2,1H3/t21-/m0/s1 | 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 | 129 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins |
J Med Chem 55: 4407-24 (2012)
Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50389089
(CHEMBL2064517)Show InChI InChI=1S/C17H11N3O3S/c18-8-11-1-3-12(4-2-11)9-24-17-20-19-16(23-17)13-5-6-14-15(7-13)22-10-21-14/h1-7H,9-10H2 | 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 | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins |
J Med Chem 55: 4407-24 (2012)
Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50389091
(CHEMBL2064519)Show InChI InChI=1S/C18H13N3O3S/c19-10-12-1-3-13(4-2-12)11-25-18-21-20-17(24-18)14-5-6-15-16(9-14)23-8-7-22-15/h1-6,9H,7-8,11H2 | 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 | 166 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins |
J Med Chem 55: 4407-24 (2012)
Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50389093
(CHEMBL2064522)Show SMILES C(Sc1nnc(o1)-c1ccc2OCOc2c1)c1ccc(cc1)-c1nnn[nH]1 Show InChI InChI=1S/C17H12N6O3S/c1-3-11(15-18-22-23-19-15)4-2-10(1)8-27-17-21-20-16(26-17)12-5-6-13-14(7-12)25-9-24-13/h1-7H,8-9H2,(H,18,19,22,23) | 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 | 172 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins |
J Med Chem 55: 4407-24 (2012)
Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50389086
(CHEMBL2064531)Show SMILES C(Sc1nnc(o1)-c1ccc2OCOc2c1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H16N2O3S/c1-2-4-16(5-3-1)17-8-6-15(7-9-17)13-28-22-24-23-21(27-22)18-10-11-19-20(12-18)26-14-25-19/h1-12H,13-14H2 | PDB MMDB
NCI pathway 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 | 176 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins |
J Med Chem 55: 4407-24 (2012)
Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50389083
(CHEMBL2064535)Show SMILES Fc1ccc(-c2ccc(CSc3nnc(o3)-c3ccc4OCCOc4c3)cc2)c(c1)C#N Show InChI InChI=1S/C24H16FN3O3S/c25-19-6-7-20(18(11-19)13-26)16-3-1-15(2-4-16)14-32-24-28-27-23(31-24)17-5-8-21-22(12-17)30-10-9-29-21/h1-8,11-12H,9-10,14H2 | 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 | 185 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins |
J Med Chem 55: 4407-24 (2012)
Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM50389084
(CHEMBL2064538)Show SMILES COC[C@@H]1COc2ccc(cc2O1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1 |r| Show InChI InChI=1S/C26H21N3O4S/c1-30-14-21-15-31-23-11-10-19(12-24(23)32-21)25-28-29-26(33-25)34-16-17-6-8-18(9-7-17)22-5-3-2-4-20(22)13-27/h2-12,21H,14-16H2,1H3/t21-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 195 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3alpha |
J Med Chem 55: 4407-24 (2012)
Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0 |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50250878
(CHEMBL4074540)Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)n1c2ccccc2[nH]c1=O |r,wU:20.25,wD:18.20,(23.76,-26.81,;22.43,-27.58,;22.43,-29.12,;21.1,-29.89,;19.76,-29.12,;19.76,-27.58,;21.1,-26.81,;21.1,-25.27,;22.34,-24.37,;21.87,-22.9,;20.33,-22.9,;19.85,-24.37,;18.38,-24.85,;18.06,-26.35,;16.6,-26.83,;15.46,-25.8,;15.78,-24.29,;17.24,-23.81,;23.81,-24.85,;24.5,-26.22,;25.88,-25.51,;25.18,-24.14,;27.34,-25.99,;27.81,-27.46,;27.05,-28.79,;27.81,-30.12,;29.35,-30.12,;30.12,-28.79,;29.35,-27.46,;29.83,-25.99,;28.58,-25.09,;28.58,-23.55,)| Show InChI InChI=1S/C23H18ClN7O/c24-16-5-1-3-7-19(16)31-21(28-29-22(31)18-9-10-25-13-26-18)14-11-15(12-14)30-20-8-4-2-6-17(20)27-23(30)32/h1-10,13-15H,11-12H2,(H,27,32)/t14-,15- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Leibniz-Forschungsinstitut f�r Molekulare Pharmakologie (FMP)
Curated by ChEMBL
| Assay Description Inhibition of TNKS2 (unknown origin) expressed in HEK293 cells assessed as inhibition of Wnt3a-induced Wnt/beta-catenin signaling after 24 hrs by luc... |
J Med Chem 60: 10013-10025 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00883 BindingDB Entry DOI: 10.7270/Q2CJ8GXG |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50389078
(CHEMBL2064539)Show SMILES COC[C@H]1COc2ccc(cc2O1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1 |r| Show InChI InChI=1S/C26H21N3O4S/c1-30-14-21-15-31-23-11-10-19(12-24(23)32-21)25-28-29-26(33-25)34-16-17-6-8-18(9-7-17)22-5-3-2-4-20(22)13-27/h2-12,21H,14-16H2,1H3/t21-/m0/s1 | 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 | 233 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins |
J Med Chem 55: 4407-24 (2012)
Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0 |
More data for this Ligand-Target Pair | |
Microtubule-associated protein tau
(Homo sapiens (Human)) | BDBM50398211
(CHEMBL2181036)Show SMILES COc1cc(\C=C\c2ccc(O)cc2)ccc1\C=C\c1ccc(O)cc1 Show InChI InChI=1S/C23H20O3/c1-26-23-16-19(3-2-17-6-12-21(24)13-7-17)5-11-20(23)10-4-18-8-14-22(25)15-9-18/h2-16,24-25H,1H3/b3-2+,10-4+ | PDB
KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 246 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Displacement of thiazine red R from human Tau aggregate expressed in Escherichia coli after 30 mins by fluorimetric analysis |
Bioorg Med Chem Lett 22: 7667-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.09.109 BindingDB Entry DOI: 10.7270/Q2TQ62PC |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50389080
(CHEMBL2064515)Show SMILES N#Cc1ccc(cc1)-c1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1 Show InChI InChI=1S/C23H15N3O3S/c24-12-15-1-5-17(6-2-15)18-7-3-16(4-8-18)13-30-23-26-25-22(29-23)19-9-10-20-21(11-19)28-14-27-20/h1-11H,13-14H2 | 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 | 316 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins |
J Med Chem 55: 4407-24 (2012)
Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0 |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50250876
(CHEMBL4102763)Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1CC[C@@H](CC1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:21.27,wD:18.20,(22.84,-14.09,;21.51,-14.87,;21.51,-16.4,;20.17,-17.18,;18.84,-16.4,;18.84,-14.87,;20.17,-14.09,;20.17,-12.09,;21.42,-11.18,;20.95,-9.72,;19.4,-9.72,;18.93,-11.18,;17.46,-11.67,;17.14,-13.17,;15.68,-13.64,;14.53,-12.62,;14.85,-11.11,;16.32,-10.63,;22.88,-11.67,;23.21,-13.17,;24.67,-13.64,;25.82,-12.62,;25.5,-11.11,;24.03,-10.63,;27.28,-13.09,;27.76,-14.55,;26.98,-15.89,;27.76,-17.22,;29.3,-17.22,;30.07,-15.89,;29.3,-14.55,;29.78,-13.09,;28.53,-12.18,;28.53,-10.65,;30.07,-18.57,;30.84,-19.91,)| Show InChI InChI=1S/C26H21ClN8O/c27-19-3-1-2-4-22(19)35-24(32-33-25(35)20-11-12-29-15-30-20)17-6-8-18(9-7-17)34-23-10-5-16(14-28)13-21(23)31-26(34)36/h1-5,10-13,15,17-18H,6-9H2,(H,31,36)/t17-,18- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Leibniz-Forschungsinstitut f�r Molekulare Pharmakologie (FMP)
Curated by ChEMBL
| Assay Description Inhibition of human TNKS2 (873 to 1162 residues) assessed as reduction in NAD+ consumption by fluorescence assay |
J Med Chem 60: 10013-10025 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00883 BindingDB Entry DOI: 10.7270/Q2CJ8GXG |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50250879
(CHEMBL4064869)Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)-c1ccc(cc1)-n1c2ccc(cc2[nH]c1=O)C#N |(25.56,-15.85,;24.02,-16.05,;23.44,-17.48,;21.9,-17.68,;20.97,-16.43,;21.57,-15.02,;23.09,-14.83,;23.69,-13.41,;25.18,-13,;25.24,-11.47,;23.79,-10.94,;22.84,-12.13,;21.3,-12.13,;20.53,-13.46,;18.98,-13.46,;18.21,-12.13,;18.98,-10.8,;20.53,-10.8,;26.43,-13.89,;26.28,-15.43,;27.54,-16.32,;28.94,-15.68,;29.08,-14.14,;27.83,-13.24,;30.18,-16.57,;30.27,-18.1,;29.18,-19.2,;29.57,-20.66,;31.07,-21.07,;32.15,-19.99,;31.75,-18.5,;32.58,-17.2,;31.62,-16.02,;32.03,-14.53,;31.48,-22.56,;31.89,-24.06,)| Show InChI InChI=1S/C26H15ClN8O/c27-19-3-1-2-4-22(19)35-24(32-33-25(35)20-11-12-29-15-30-20)17-6-8-18(9-7-17)34-23-10-5-16(14-28)13-21(23)31-26(34)36/h1-13,15H,(H,31,36) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Leibniz-Forschungsinstitut f�r Molekulare Pharmakologie (FMP)
Curated by ChEMBL
| Assay Description Inhibition of human TNKS2 (873 to 1162 residues) assessed as reduction in NAD+ consumption by fluorescence assay |
J Med Chem 60: 10013-10025 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00883 BindingDB Entry DOI: 10.7270/Q2CJ8GXG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glycogen synthase kinase-3 alpha
(Homo sapiens (Human)) | BDBM8552
(2-{[(3-iodophenyl)methyl]sulfanyl}-5-(pyridin-4-yl...)Show InChI InChI=1S/C14H10IN3OS/c15-12-3-1-2-10(8-12)9-20-14-18-17-13(19-14)11-4-6-16-7-5-11/h1-8H,9H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3alpha |
J Med Chem 55: 4407-24 (2012)
Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0 |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50250878
(CHEMBL4074540)Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)n1c2ccccc2[nH]c1=O |r,wU:20.25,wD:18.20,(23.76,-26.81,;22.43,-27.58,;22.43,-29.12,;21.1,-29.89,;19.76,-29.12,;19.76,-27.58,;21.1,-26.81,;21.1,-25.27,;22.34,-24.37,;21.87,-22.9,;20.33,-22.9,;19.85,-24.37,;18.38,-24.85,;18.06,-26.35,;16.6,-26.83,;15.46,-25.8,;15.78,-24.29,;17.24,-23.81,;23.81,-24.85,;24.5,-26.22,;25.88,-25.51,;25.18,-24.14,;27.34,-25.99,;27.81,-27.46,;27.05,-28.79,;27.81,-30.12,;29.35,-30.12,;30.12,-28.79,;29.35,-27.46,;29.83,-25.99,;28.58,-25.09,;28.58,-23.55,)| Show InChI InChI=1S/C23H18ClN7O/c24-16-5-1-3-7-19(16)31-21(28-29-22(31)18-9-10-25-13-26-18)14-11-15(12-14)30-20-8-4-2-6-17(20)27-23(30)32/h1-10,13-15H,11-12H2,(H,27,32)/t14-,15- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
Leibniz-Forschungsinstitut f�r Molekulare Pharmakologie (FMP)
Curated by ChEMBL
| Assay Description Inhibition of TNKS2 (unknown origin) transfected in human SW480 cells assessed as inhibition of Wnt3a-induced Wnt/beta-catenin signaling after 48 hrs... |
J Med Chem 60: 10013-10025 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00883 BindingDB Entry DOI: 10.7270/Q2CJ8GXG |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50250877
(CHEMBL4084811)Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1CC[C@@H](CC1)n1c2ccccc2[nH]c1=O |r,wU:21.27,wD:18.20,(20.48,-13.16,;19.15,-13.93,;19.15,-15.47,;17.81,-16.25,;16.48,-15.47,;16.48,-13.93,;17.81,-13.16,;17.81,-11.16,;19.06,-10.25,;18.59,-8.79,;17.04,-8.79,;16.57,-10.25,;15.1,-10.73,;14.78,-12.23,;13.32,-12.71,;12.17,-11.68,;12.49,-10.18,;13.96,-9.69,;20.52,-10.73,;20.85,-12.23,;22.31,-12.71,;23.46,-11.68,;23.14,-10.18,;21.67,-9.69,;24.92,-12.15,;25.4,-13.62,;24.62,-14.96,;25.4,-16.29,;26.93,-16.29,;27.71,-14.96,;26.93,-13.62,;27.42,-12.15,;26.17,-11.25,;26.17,-9.71,)| Show InChI InChI=1S/C25H22ClN7O/c26-18-5-1-3-7-21(18)33-23(30-31-24(33)20-13-14-27-15-28-20)16-9-11-17(12-10-16)32-22-8-4-2-6-19(22)29-25(32)34/h1-8,13-17H,9-12H2,(H,29,34)/t16-,17- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Leibniz-Forschungsinstitut f�r Molekulare Pharmakologie (FMP)
Curated by ChEMBL
| Assay Description Inhibition of human TNKS2 (873 to 1162 residues) assessed as reduction in NAD+ consumption by fluorescence assay |
J Med Chem 60: 10013-10025 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00883 BindingDB Entry DOI: 10.7270/Q2CJ8GXG |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50389084
(CHEMBL2064538)Show SMILES COC[C@@H]1COc2ccc(cc2O1)-c1nnc(SCc2ccc(cc2)-c2ccccc2C#N)o1 |r| Show InChI InChI=1S/C26H21N3O4S/c1-30-14-21-15-31-23-11-10-19(12-24(23)32-21)25-28-29-26(33-25)34-16-17-6-8-18(9-7-17)22-5-3-2-4-20(22)13-27/h2-12,21H,14-16H2,1H3/t21-/m1/s1 | 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 | 758 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins |
J Med Chem 55: 4407-24 (2012)
Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0 |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM8552
(2-{[(3-iodophenyl)methyl]sulfanyl}-5-(pyridin-4-yl...)Show InChI InChI=1S/C14H10IN3OS/c15-12-3-1-2-10(8-12)9-20-14-18-17-13(19-14)11-4-6-16-7-5-11/h1-8H,9H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 790 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Darmstadt
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GSK3beta using pIRS-1 as substrate preincubated for 15 mins |
J Med Chem 55: 4407-24 (2012)
Article DOI: 10.1021/jm300309a BindingDB Entry DOI: 10.7270/Q2MG7QK0 |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human)) | BDBM50250877
(CHEMBL4084811)Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1CC[C@@H](CC1)n1c2ccccc2[nH]c1=O |r,wU:21.27,wD:18.20,(20.48,-13.16,;19.15,-13.93,;19.15,-15.47,;17.81,-16.25,;16.48,-15.47,;16.48,-13.93,;17.81,-13.16,;17.81,-11.16,;19.06,-10.25,;18.59,-8.79,;17.04,-8.79,;16.57,-10.25,;15.1,-10.73,;14.78,-12.23,;13.32,-12.71,;12.17,-11.68,;12.49,-10.18,;13.96,-9.69,;20.52,-10.73,;20.85,-12.23,;22.31,-12.71,;23.46,-11.68,;23.14,-10.18,;21.67,-9.69,;24.92,-12.15,;25.4,-13.62,;24.62,-14.96,;25.4,-16.29,;26.93,-16.29,;27.71,-14.96,;26.93,-13.62,;27.42,-12.15,;26.17,-11.25,;26.17,-9.71,)| Show InChI InChI=1S/C25H22ClN7O/c26-18-5-1-3-7-21(18)33-23(30-31-24(33)20-13-14-27-15-28-20)16-9-11-17(12-10-16)32-22-8-4-2-6-19(22)29-25(32)34/h1-8,13-17H,9-12H2,(H,29,34)/t16-,17- | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Leibniz-Forschungsinstitut f�r Molekulare Pharmakologie (FMP)
Curated by ChEMBL
| Assay Description Inhibition of TNKS2 (unknown origin) expressed in HEK293 cells assessed as inhibition of Wnt3a-induced Wnt/beta-catenin signaling after 24 hrs by luc... |
J Med Chem 60: 10013-10025 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00883 BindingDB Entry DOI: 10.7270/Q2CJ8GXG |
More data for this Ligand-Target Pair | |