Compile Data Set for Download or QSAR

Found 270 hits with Last Name = 'palomo' and Initial = 'v'   

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
Tau-tubulin kinase 1 (Homo sapiens (Human))	BDBM50602886 (CHEMBL5182036) Show SMILES CC[C@@](C)(O)C#Cc1cc2n(ccc2cn1)-c1cc(OC)nc(N)n1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01942 BindingDB Entry DOI: 10.7270/Q2R215GV
					More data for this Ligand-Target Pair
Tau-tubulin kinase 2 (Homo sapiens (Human))	BDBM50602886 (CHEMBL5182036) Show SMILES CC[C@@](C)(O)C#Cc1cc2n(ccc2cn1)-c1cc(OC)nc(N)n1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01942 BindingDB Entry DOI: 10.7270/Q2R215GV
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM7262 (14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...) Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1 Show InChI InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta				J Med Chem 54: 8461-70 (2011) Article DOI: 10.1021/jm200996g BindingDB Entry DOI: 10.7270/Q2125TPD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50347535 (CHEMBL1801637) Show SMILES Cn1cc(C2=C(C(=O)CBr)C(=O)NC2=O)c2ccccc12 |c:4| Show InChI InChI=1S/C15H11BrN2O3/c1-18-7-9(8-4-2-3-5-10(8)18)12-13(11(19)6-16)15(21)17-14(12)20/h2-5,7H,6H2,1H3,(H,17,20,21)	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
Instituto de Qui£?mica Medica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta using prephosphorylated polypeptide substrate after 30 mins by Glow-type luminescence assay in presence of 1...				J Med Chem 54: 4042-56 (2011) Article DOI: 10.1021/jm1016279 BindingDB Entry DOI: 10.7270/Q29887C1
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50347531 (CHEMBL1801633) Show SMILES BrCC(=O)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:4| Show InChI InChI=1S/C14H9BrN2O3/c15-5-10(18)12-11(13(19)17-14(12)20)8-6-16-9-4-2-1-3-7(8)9/h1-4,6,16H,5H2,(H,17,19,20)	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	47	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qui£?mica Medica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta using prephosphorylated polypeptide substrate after 30 mins by Glow-type luminescence assay in presence of 1...				J Med Chem 54: 4042-56 (2011) Article DOI: 10.1021/jm1016279 BindingDB Entry DOI: 10.7270/Q29887C1
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50229962 (1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...) Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)	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	MMDB PDB Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta				J Med Chem 54: 8461-70 (2011) Article DOI: 10.1021/jm200996g BindingDB Entry DOI: 10.7270/Q2125TPD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tau-tubulin kinase 1 (Homo sapiens (Human))	BDBM50602885 (CHEMBL5193906) Show SMILES CC1(N)CCN(Cc2ccn3ncnc(Nc4cc(O)cc(Br)c4)c23)CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01942 BindingDB Entry DOI: 10.7270/Q2R215GV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tau-tubulin kinase 2 (Homo sapiens (Human))	BDBM50602885 (CHEMBL5193906) Show SMILES CC1(N)CCN(Cc2ccn3ncnc(Nc4cc(O)cc(Br)c4)c23)CC1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01942 BindingDB Entry DOI: 10.7270/Q2R215GV
					More data for this Ligand-Target Pair
Tau-tubulin kinase 1 (Homo sapiens (Human))	BDBM50602904 (CHEMBL5204869) Show SMILES Clc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01942 BindingDB Entry DOI: 10.7270/Q2R215GV
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382610 (CHEMBL2022413) Show SMILES OCC\N=c1/nc(-c2ccccc2)n(s1)-c1cccc2ccccc12 Show InChI InChI=1S/C20H17N3OS/c24-14-13-21-20-22-19(16-8-2-1-3-9-16)23(25-20)18-12-6-10-15-7-4-5-11-17(15)18/h1-12,24H,13-14H2/b21-20+	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	300	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382604 (CHEMBL2022420 | CHEMBL2024373) Show SMILES CCCCC\N=c1/nc(-c2ccc(OC)cc2)n(s1)-c1ccccc1 Show InChI InChI=1S/C20H23N3OS/c1-3-4-8-15-21-20-22-19(16-11-13-18(24-2)14-12-16)23(25-20)17-9-6-5-7-10-17/h5-7,9-14H,3-4,8,15H2,1-2H3/b21-20+	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	300	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382608 (CHEMBL2022415) Show SMILES OCC\N=c1/nc(-c2cccc3ccccc23)n(s1)-c1ccccc1 Show InChI InChI=1S/C20H17N3OS/c24-14-13-21-20-22-19(23(25-20)16-9-2-1-3-10-16)18-12-6-8-15-7-4-5-11-17(15)18/h1-12,24H,13-14H2/b21-20+	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	300	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Tau-tubulin kinase 1 (Homo sapiens (Human))	BDBM50602917 (CHEMBL5200069) Show SMILES Clc1ccccc1Oc1ccc(Nc2ncnc3[nH]ccc23)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01942 BindingDB Entry DOI: 10.7270/Q2R215GV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tau-tubulin kinase 1 (Homo sapiens (Human))	BDBM50602907 (CHEMBL5193488) Show SMILES COc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01942 BindingDB Entry DOI: 10.7270/Q2R215GV
					More data for this Ligand-Target Pair
Tau-tubulin kinase 1 (Homo sapiens (Human))	BDBM50602930 (CHEMBL5181249) Show SMILES Clc1ccccc1Cn1cc(COc2ccc(Nc3ncnc4[nH]ccc34)cc2)nn1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01942 BindingDB Entry DOI: 10.7270/Q2R215GV
					More data for this Ligand-Target Pair
Tau-tubulin kinase 1 (Homo sapiens (Human))	BDBM50602922 (CHEMBL5184336) Show SMILES Nc1nc(Nc2ccc(Oc3cccc(Cl)c3)cc2)c2cc[nH]c2n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01942 BindingDB Entry DOI: 10.7270/Q2R215GV
					More data for this Ligand-Target Pair
Tau-tubulin kinase 1 (Homo sapiens (Human))	BDBM50602921 (CHEMBL5180098) Show SMILES Nc1nc(Nc2ccc(Oc3ccc(cc3)C(F)(F)F)cc2)c2cc[nH]c2n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01942 BindingDB Entry DOI: 10.7270/Q2R215GV
					More data for this Ligand-Target Pair
Tau-tubulin kinase 1 (Homo sapiens (Human))	BDBM50602903 (CHEMBL5198544) Show SMILES N(c1ccc(Oc2ccccc2)cc1)c1ncnc2[nH]ccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01942 BindingDB Entry DOI: 10.7270/Q2R215GV
					More data for this Ligand-Target Pair
Tau-tubulin kinase 1 (Homo sapiens (Human))	BDBM50602932 (CHEMBL5178965) Show SMILES C(Cn1cc(COc2ccc(Nc3ncnc4[nH]ccc34)cc2)nn1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01942 BindingDB Entry DOI: 10.7270/Q2R215GV
					More data for this Ligand-Target Pair
Tau-tubulin kinase 1 (Homo sapiens (Human))	BDBM50602910 (CHEMBL5209196) Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01942 BindingDB Entry DOI: 10.7270/Q2R215GV
					More data for this Ligand-Target Pair
Tau-tubulin kinase 1 (Homo sapiens (Human))	BDBM50602906 (CHEMBL5187459) Show SMILES N#Cc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01942 BindingDB Entry DOI: 10.7270/Q2R215GV
					More data for this Ligand-Target Pair
Tau-tubulin kinase 1 (Homo sapiens (Human))	BDBM50602920 (CHEMBL5187125) Show SMILES Nc1nc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)c2cc[nH]c2n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01942 BindingDB Entry DOI: 10.7270/Q2R215GV
					More data for this Ligand-Target Pair
Tau-tubulin kinase 1 (Homo sapiens (Human))	BDBM50602931 (CHEMBL5197012) Show SMILES Clc1cccc(Cn2cc(COc3ccc(Nc4ncnc5[nH]ccc45)cc3)nn2)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01942 BindingDB Entry DOI: 10.7270/Q2R215GV
					More data for this Ligand-Target Pair
Tau-tubulin kinase 2 (Homo sapiens (Human))	BDBM50602917 (CHEMBL5200069) Show SMILES Clc1ccccc1Oc1ccc(Nc2ncnc3[nH]ccc23)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01942 BindingDB Entry DOI: 10.7270/Q2R215GV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM7876 (2-bromo-1-(4-bromophenyl)ethan-1-one | Halomethyl ...) Show SMILES BrCC(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C8H6Br2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qui£?mica Medica-CSIC Curated by ChEMBL					Assay Description Inhibition of GSK3beta using GS1 as substrate and [gamma-32P]ATP after 20 mins by radiometric assay				J Med Chem 54: 4042-56 (2011) Article DOI: 10.1021/jm1016279 BindingDB Entry DOI: 10.7270/Q29887C1
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50347526 (CHEMBL1801628) Show SMILES Nc1c(Br)cc(cc1Br)C(=O)C(Br)Br Show InChI InChI=1S/C8H5Br4NO/c9-4-1-3(7(14)8(11)12)2-5(10)6(4)13/h1-2,8H,13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qui£?mica Medica-CSIC Curated by ChEMBL					Assay Description Inhibition of GSK3beta using GS1 as substrate and [gamma-32P]ATP after 20 mins by radiometric assay				J Med Chem 54: 4042-56 (2011) Article DOI: 10.1021/jm1016279 BindingDB Entry DOI: 10.7270/Q29887C1
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382615 (CHEMBL2024372) Show SMILES CCOC(=O)C\N=c1/nc(-c2ccc(OC)cc2)n(s1)-c1ccccc1 Show InChI InChI=1S/C19H19N3O3S/c1-3-25-17(23)13-20-19-21-18(14-9-11-16(24-2)12-10-14)22(26-19)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3/b20-19+	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	500	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Tau-tubulin kinase 1 (Homo sapiens (Human))	BDBM50602911 (CHEMBL5171328) Show SMILES Nc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01942 BindingDB Entry DOI: 10.7270/Q2R215GV
					More data for this Ligand-Target Pair
Tau-tubulin kinase 1 (Homo sapiens (Human))	BDBM50602900 (CHEMBL5185704 | US11814388, Compound 3) Show SMILES COc1ccc(Nc2ncnc3[nH]ccc23)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01942 BindingDB Entry DOI: 10.7270/Q2R215GV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50347533 (CHEMBL1801635) Show SMILES COc1ccc(cc1)-n1cnc2cc(ccc12)C(=O)CBr Show InChI InChI=1S/C16H13BrN2O2/c1-21-13-5-3-12(4-6-13)19-10-18-14-8-11(16(20)9-17)2-7-15(14)19/h2-8,10H,9H2,1H3	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	580	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qui£?mica Medica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta using prephosphorylated polypeptide substrate after 30 mins by Glow-type luminescence assay in presence of 1...				J Med Chem 54: 4042-56 (2011) Article DOI: 10.1021/jm1016279 BindingDB Entry DOI: 10.7270/Q29887C1
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382627 (CHEMBL2024362) Show SMILES N=c1nc(-c2ccccc2)n(s1)-c1ccccc1 Show InChI InChI=1S/C14H11N3S/c15-14-16-13(11-7-3-1-4-8-11)17(18-14)12-9-5-2-6-10-12/h1-10,15H	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	600	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382606 (CHEMBL2022418 | CHEMBL2024361) Show SMILES OCC\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1 Show InChI InChI=1S/C16H15N3OS/c20-12-11-17-16-18-15(13-7-3-1-4-8-13)19(21-16)14-9-5-2-6-10-14/h1-10,20H,11-12H2/b17-16+	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	600	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382619 (CHEMBL2022416) Show SMILES Cc1n\c(=N/Cc2cccnc2)sn1-c1ccccc1 Show InChI InChI=1S/C15H14N4S/c1-12-18-15(17-11-13-6-5-9-16-10-13)20-19(12)14-7-3-2-4-8-14/h2-10H,11H2,1H3/b17-15+	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	600	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Tau-tubulin kinase 1 (Homo sapiens (Human))	BDBM50602929 (CHEMBL5193034) Show SMILES Clc1ccc(Cn2cc(COc3ccc(Nc4ncnc5[nH]ccc45)cc3)nn2)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01942 BindingDB Entry DOI: 10.7270/Q2R215GV
					More data for this Ligand-Target Pair
Tau-tubulin kinase 1 (Homo sapiens (Human))	BDBM50602925 (CHEMBL5188513) Show SMILES Nc1ccc(Sc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01942 BindingDB Entry DOI: 10.7270/Q2R215GV
					More data for this Ligand-Target Pair
Tau-tubulin kinase 1 (Homo sapiens (Human))	BDBM50602926 (CHEMBL5200160 | US11814388, Compound 9) Show SMILES C(Oc1ccc(Nc2ncnc3[nH]ccc23)cc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01942 BindingDB Entry DOI: 10.7270/Q2R215GV
					More data for this Ligand-Target Pair
Tau-tubulin kinase 1 (Homo sapiens (Human))	BDBM50602934 (CHEMBL5206548) Show SMILES N(c1ccc(Oc2cccnc2)cc1)c1ncnc2[nH]ccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01942 BindingDB Entry DOI: 10.7270/Q2R215GV
					More data for this Ligand-Target Pair
Tau-tubulin kinase 1 (Homo sapiens (Human))	BDBM50602909 (CHEMBL5197789) Show SMILES Brc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01942 BindingDB Entry DOI: 10.7270/Q2R215GV
					More data for this Ligand-Target Pair
Tau-tubulin kinase 1 (Homo sapiens (Human))	BDBM50602905 (CHEMBL5208565) Show SMILES Fc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01942 BindingDB Entry DOI: 10.7270/Q2R215GV
					More data for this Ligand-Target Pair
Tau-tubulin kinase 1 (Homo sapiens (Human))	BDBM50602899 (CHEMBL5207783) Show SMILES N(c1ccccc1)c1ncnc2[nH]ccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01942 BindingDB Entry DOI: 10.7270/Q2R215GV
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382607 (CHEMBL2022417) Show SMILES CCCCCc1n\c(=N/Cc2cccnc2)sn1-c1ccccc1 Show InChI InChI=1S/C19H22N4S/c1-2-3-5-12-18-22-19(21-15-16-9-8-13-20-14-16)24-23(18)17-10-6-4-7-11-17/h4,6-11,13-14H,2-3,5,12,15H2,1H3/b21-19+	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	800	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Tau-tubulin kinase 1 (Homo sapiens (Human))	BDBM50602916 (CHEMBL5196033) Show SMILES COc1cccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01942 BindingDB Entry DOI: 10.7270/Q2R215GV
					More data for this Ligand-Target Pair
Tau-tubulin kinase 2 (Homo sapiens (Human))	BDBM50602903 (CHEMBL5198544) Show SMILES N(c1ccc(Oc2ccccc2)cc1)c1ncnc2[nH]ccc12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01942 BindingDB Entry DOI: 10.7270/Q2R215GV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50347534 (CHEMBL1801636) Show SMILES CC(=O)C1=C(C(=O)NC1=O)c1cn(C)c2ccccc12 |t:3| Show InChI InChI=1S/C15H12N2O3/c1-8(18)12-13(15(20)16-14(12)19)10-7-17(2)11-6-4-3-5-9(10)11/h3-7H,1-2H3,(H,16,19,20)	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	890	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qui£?mica Medica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta using prephosphorylated polypeptide substrate after 30 mins by Glow-type luminescence assay in presence of 1...				J Med Chem 54: 4042-56 (2011) Article DOI: 10.1021/jm1016279 BindingDB Entry DOI: 10.7270/Q29887C1
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382625 (CHEMBL558982) Show SMILES c1ccc(cc1)\N=c1\nc(-c2ccccc2)n(s1)-c1ccccc1 Show InChI InChI=1S/C20H15N3S/c1-4-10-16(11-5-1)19-22-20(21-17-12-6-2-7-13-17)24-23(19)18-14-8-3-9-15-18/h1-15H/b21-20-	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	900	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382603 (CHEMBL2022421) Show SMILES C(CN1CCOCC1)\N=c1/nc(-c2ccccc2)n(s1)-c1ccccc1 Show InChI InChI=1S/C20H22N4OS/c1-3-7-17(8-4-1)19-22-20(21-11-12-23-13-15-25-16-14-23)26-24(19)18-9-5-2-6-10-18/h1-10H,11-16H2/b21-20+	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	900	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50382605 (CHEMBL2022414 | CHEMBL2022419) Show SMILES C(\N=c1/nc(-c2cccc3ccccc23)n(s1)-c1ccccc1)c1cccnc1 Show InChI InChI=1S/C24H18N4S/c1-2-11-20(12-3-1)28-23(22-14-6-10-19-9-4-5-13-21(19)22)27-24(29-28)26-17-18-8-7-15-25-16-18/h1-16H,17H2/b26-24+	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	900	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica-CSIC Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta after 30 mins by luminescence assay in presence of ATP				J Med Chem 55: 1645-61 (2012) Article DOI: 10.1021/jm201463v BindingDB Entry DOI: 10.7270/Q2862HGD
					More data for this Ligand-Target Pair
Tau-tubulin kinase 2 (Homo sapiens (Human))	BDBM50602907 (CHEMBL5193488) Show SMILES COc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01942 BindingDB Entry DOI: 10.7270/Q2R215GV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tau-tubulin kinase 1 (Homo sapiens (Human))	BDBM50602933 (CHEMBL5178462) Show SMILES Cc1ccc(Cn2cc(COc3ccc(Nc4ncnc5[nH]ccc45)cc3)nn2)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01942 BindingDB Entry DOI: 10.7270/Q2R215GV
					More data for this Ligand-Target Pair
Tau-tubulin kinase 1 (Homo sapiens (Human))	BDBM50328192 (CHEMBL1257781 | N-(4-(Trifluoromethoxy)phenyl)-7H-...) Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3[nH]ccc23)cc1 Show InChI InChI=1S/C13H9F3N4O/c14-13(15,16)21-9-3-1-8(2-4-9)20-12-10-5-6-17-11(10)18-7-19-12/h1-7H,(H2,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01942 BindingDB Entry DOI: 10.7270/Q2R215GV
					More data for this Ligand-Target Pair

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