Compile Data Set for Download or QSAR

Found 79 hits with Last Name = 'kalam' and Initial = 'a'   

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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50613306 (CHEMBL1235645) Show SMILES N#CCc1ccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50613306 (CHEMBL1235645) Show SMILES N#CCc1ccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50613306 (CHEMBL1235645) Show SMILES N#CCc1ccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bone morphogenetic protein receptor type-2 (Homo sapiens (Human))	BDBM50613306 (CHEMBL1235645) Show SMILES N#CCc1ccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...				Bioorg Med Chem Lett 26: 4020-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.084 BindingDB Entry DOI: 10.7270/Q2639RP0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description In a typical assay, 10 µL of test compound of different concentrations (dissolved in dimethyl sulfoxide [DMSO] and diluted with assay buffer) and 10 ...				Bioorg Chem 68: 41-55 (2016) Article DOI: 10.1016/j.bioorg.2016.07.007 BindingDB Entry DOI: 10.7270/Q2WM1C6H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Activin receptor type-1 (Homo sapiens (Human))	BDBM50262685 (6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(pyridin-...) Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1 Show InChI InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50190178 (CHEMBL3828321) Show SMILES Cc1nc2ccccc2n1CC(=O)NNC(=O)C(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C20H17N5O3/c1-12-22-16-8-4-5-9-17(16)25(12)11-18(26)23-24-20(28)19(27)14-10-21-15-7-3-2-6-13(14)15/h2-10,21H,11H2,1H3,(H,23,26)(H,24,28)	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	72	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...				Bioorg Med Chem Lett 26: 4020-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.084 BindingDB Entry DOI: 10.7270/Q2639RP0
					More data for this Ligand-Target Pair
Bone morphogenetic protein receptor type-2 (Homo sapiens (Human))	BDBM50262685 (6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(pyridin-...) Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1 Show InChI InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50190311 (CHEMBL3828131) Show SMILES Cc1nc2ccccc2n1Cc1nnc(Nc2ccccc2F)s1 Show InChI InChI=1S/C17H14FN5S/c1-11-19-14-8-4-5-9-15(14)23(11)10-16-21-22-17(24-16)20-13-7-3-2-6-12(13)18/h2-9H,10H2,1H3,(H,20,22)	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	76	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...				Bioorg Med Chem Lett 26: 4020-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.084 BindingDB Entry DOI: 10.7270/Q2639RP0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50190176 (CHEMBL3828240) Show SMILES Cc1nc2ccccc2n1CC(=O)NNC(=O)CCC(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C26H24N4O4/c1-18-27-22-9-5-6-10-23(22)30(18)17-26(33)29-28-25(32)16-15-24(31)19-11-13-21(14-12-19)34-20-7-3-2-4-8-20/h2-14H,15-17H2,1H3,(H,28,32)(H,29,33)	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	80	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...				Bioorg Med Chem Lett 26: 4020-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.084 BindingDB Entry DOI: 10.7270/Q2639RP0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM193713 (Pyrimidin-4-one-1,2,3-triazole conjugate, 3n) Show SMILES Cc1ccc(cc1C)-n1cc(CSc2nc(cc(=O)n2C)-c2ccccc2)nn1 Show InChI InChI=1S/C22H21N5OS/c1-15-9-10-19(11-16(15)2)27-13-18(24-25-27)14-29-22-23-20(12-21(28)26(22)3)17-7-5-4-6-8-17/h4-13H,14H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description In a typical assay, 10 µL of test compound of different concentrations (dissolved in dimethyl sulfoxide [DMSO] and diluted with assay buffer) and 10 ...				Bioorg Chem 68: 41-55 (2016) Article DOI: 10.1016/j.bioorg.2016.07.007 BindingDB Entry DOI: 10.7270/Q2WM1C6H
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50190171 (CHEMBL3827219) Show SMILES Cc1nc2ccccc2n1CC(=O)NNC(=O)Cc1ccccc1C Show InChI InChI=1S/C19H20N4O2/c1-13-7-3-4-8-15(13)11-18(24)21-22-19(25)12-23-14(2)20-16-9-5-6-10-17(16)23/h3-10H,11-12H2,1-2H3,(H,21,24)(H,22,25)	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	92	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...				Bioorg Med Chem Lett 26: 4020-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.084 BindingDB Entry DOI: 10.7270/Q2639RP0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM193706 (Pyrimidin-4-one-1,2,3-triazole conjugate, 3g) Show SMILES CCc1ccc(cc1)-n1cc(CSc2nc(cc(=O)n2C)-c2ccccc2)nn1 Show InChI InChI=1S/C22H21N5OS/c1-3-16-9-11-19(12-10-16)27-14-18(24-25-27)15-29-22-23-20(13-21(28)26(22)2)17-7-5-4-6-8-17/h4-14H,3,15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description In a typical assay, 10 µL of test compound of different concentrations (dissolved in dimethyl sulfoxide [DMSO] and diluted with assay buffer) and 10 ...				Bioorg Chem 68: 41-55 (2016) Article DOI: 10.1016/j.bioorg.2016.07.007 BindingDB Entry DOI: 10.7270/Q2WM1C6H
					More data for this Ligand-Target Pair
Bone morphogenetic protein receptor type-1A (Homo sapiens (Human))	BDBM50262685 (6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(pyridin-...) Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1 Show InChI InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50190177 (CHEMBL3828609) Show SMILES Cc1nc2ccccc2n1CC(=O)NNC(=O)Cc1ccccc1 Show InChI InChI=1S/C18H18N4O2/c1-13-19-15-9-5-6-10-16(15)22(13)12-18(24)21-20-17(23)11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,20,23)(H,21,24)	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	105	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...				Bioorg Med Chem Lett 26: 4020-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.084 BindingDB Entry DOI: 10.7270/Q2639RP0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50190184 (CHEMBL3827727) Show SMILES Cc1nc2ccccc2n1Cc1nnc(Nc2ccc(cc2)[N+]([O-])=O)s1 Show InChI InChI=1S/C17H14N6O2S/c1-11-18-14-4-2-3-5-15(14)22(11)10-16-20-21-17(26-16)19-12-6-8-13(9-7-12)23(24)25/h2-9H,10H2,1H3,(H,19,21)	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	107	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...				Bioorg Med Chem Lett 26: 4020-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.084 BindingDB Entry DOI: 10.7270/Q2639RP0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM193709 (Pyrimidin-4-one-1,2,3-triazole conjugate, 3j) Show SMILES Cn1c(SCc2cn(nn2)-c2ccccc2F)nc(cc1=O)-c1ccccc1 Show InChI InChI=1S/C20H16FN5OS/c1-25-19(27)11-17(14-7-3-2-4-8-14)22-20(25)28-13-15-12-26(24-23-15)18-10-6-5-9-16(18)21/h2-12H,13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description In a typical assay, 10 µL of test compound of different concentrations (dissolved in dimethyl sulfoxide [DMSO] and diluted with assay buffer) and 10 ...				Bioorg Chem 68: 41-55 (2016) Article DOI: 10.1016/j.bioorg.2016.07.007 BindingDB Entry DOI: 10.7270/Q2WM1C6H
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50190314 (CHEMBL3827511) Show SMILES Cc1nc2ccccc2n1Cc1nnc(Nc2ccccc2Cl)s1 Show InChI InChI=1S/C17H14ClN5S/c1-11-19-14-8-4-5-9-15(14)23(11)10-16-21-22-17(24-16)20-13-7-3-2-6-12(13)18/h2-9H,10H2,1H3,(H,20,22)	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	122	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...				Bioorg Med Chem Lett 26: 4020-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.084 BindingDB Entry DOI: 10.7270/Q2639RP0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50190175 (CHEMBL3828624) Show SMILES Cc1nc2ccccc2n1CC(=O)NNC(=O)c1ccc[nH]1 Show InChI InChI=1S/C15H15N5O2/c1-10-17-11-5-2-3-7-13(11)20(10)9-14(21)18-19-15(22)12-6-4-8-16-12/h2-8,16H,9H2,1H3,(H,18,21)(H,19,22)	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	124	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...				Bioorg Med Chem Lett 26: 4020-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.084 BindingDB Entry DOI: 10.7270/Q2639RP0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50190170 (CHEMBL3827901) Show SMILES Cc1nc2ccccc2n1CC(=O)NNC(=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C18H17ClN4O2/c1-12-20-15-4-2-3-5-16(15)23(12)11-18(25)22-21-17(24)10-13-6-8-14(19)9-7-13/h2-9H,10-11H2,1H3,(H,21,24)(H,22,25)	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	131	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...				Bioorg Med Chem Lett 26: 4020-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.084 BindingDB Entry DOI: 10.7270/Q2639RP0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50190313 (CHEMBL3828006) Show SMILES Cc1nc2ccccc2n1Cc1nnc(Nc2ccc(F)cc2)s1 Show InChI InChI=1S/C17H14FN5S/c1-11-19-14-4-2-3-5-15(14)23(11)10-16-21-22-17(24-16)20-13-8-6-12(18)7-9-13/h2-9H,10H2,1H3,(H,20,22)	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	134	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...				Bioorg Med Chem Lett 26: 4020-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.084 BindingDB Entry DOI: 10.7270/Q2639RP0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50190179 (CHEMBL3828098) Show SMILES Cc1nc2ccccc2n1CC(=O)NNC(=O)Cc1cc2ccccc2[nH]1 Show InChI InChI=1S/C20H19N5O2/c1-13-21-17-8-4-5-9-18(17)25(13)12-20(27)24-23-19(26)11-15-10-14-6-2-3-7-16(14)22-15/h2-10,22H,11-12H2,1H3,(H,23,26)(H,24,27)	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	135	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...				Bioorg Med Chem Lett 26: 4020-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.084 BindingDB Entry DOI: 10.7270/Q2639RP0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50190315 (CHEMBL3827702) Show SMILES Cc1nc2ccccc2n1Cc1nnc(Nc2ccc(Cl)cc2)s1 Show InChI InChI=1S/C17H14ClN5S/c1-11-19-14-4-2-3-5-15(14)23(11)10-16-21-22-17(24-16)20-13-8-6-12(18)7-9-13/h2-9H,10H2,1H3,(H,20,22)	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	145	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...				Bioorg Med Chem Lett 26: 4020-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.084 BindingDB Entry DOI: 10.7270/Q2639RP0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50190174 (CHEMBL3827726) Show SMILES Cc1nc2ccccc2n1CC(=O)NNC(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C19H17N5O2/c1-12-21-16-8-4-5-9-17(16)24(12)11-18(25)22-23-19(26)14-10-20-15-7-3-2-6-13(14)15/h2-10,20H,11H2,1H3,(H,22,25)(H,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...				Bioorg Med Chem Lett 26: 4020-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.084 BindingDB Entry DOI: 10.7270/Q2639RP0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50190310 (CHEMBL3827844) Show SMILES COc1ccc(Nc2nnc(Cn3c(C)nc4ccccc34)s2)cc1 Show InChI InChI=1S/C18H17N5OS/c1-12-19-15-5-3-4-6-16(15)23(12)11-17-21-22-18(25-17)20-13-7-9-14(24-2)10-8-13/h3-10H,11H2,1-2H3,(H,20,22)	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	151	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...				Bioorg Med Chem Lett 26: 4020-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.084 BindingDB Entry DOI: 10.7270/Q2639RP0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM193717 (Pyrimidin-4-one-1,2,3-triazole conjugate, 3r) Show SMILES Cn1c(SCc2cn(nn2)-c2cccc(c2)[N+]([O-])=O)nc(cc1=O)-c1ccccc1 Show InChI InChI=1S/C21H18N6O3S/c1-14-8-9-17(27(29)30)10-19(14)26-12-16(23-24-26)13-31-21-22-18(11-20(28)25(21)2)15-6-4-3-5-7-15/h3-12H,13H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	153	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description In a typical assay, 10 µL of test compound of different concentrations (dissolved in dimethyl sulfoxide [DMSO] and diluted with assay buffer) and 10 ...				Bioorg Chem 68: 41-55 (2016) Article DOI: 10.1016/j.bioorg.2016.07.007 BindingDB Entry DOI: 10.7270/Q2WM1C6H
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50190316 (CHEMBL3828407) Show SMILES Cc1nc2ccccc2n1Cc1nnc(Nc2ccccc2)s1 Show InChI InChI=1S/C17H15N5S/c1-12-18-14-9-5-6-10-15(14)22(12)11-16-20-21-17(23-16)19-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,21)	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	157	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...				Bioorg Med Chem Lett 26: 4020-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.084 BindingDB Entry DOI: 10.7270/Q2639RP0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50190180 (CHEMBL3827895) Show SMILES Cc1nc2ccccc2n1CC(=O)NNC(=O)Cc1cccc2ccccc12 Show InChI InChI=1S/C22H20N4O2/c1-15-23-19-11-4-5-12-20(19)26(15)14-22(28)25-24-21(27)13-17-9-6-8-16-7-2-3-10-18(16)17/h2-12H,13-14H2,1H3,(H,24,27)(H,25,28)	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	157	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...				Bioorg Med Chem Lett 26: 4020-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.084 BindingDB Entry DOI: 10.7270/Q2639RP0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50190312 (CHEMBL3828350) Show SMILES Cc1nc2ccccc2n1Cc1nnc(Nc2ccc(Br)cc2)s1 Show InChI InChI=1S/C17H14BrN5S/c1-11-19-14-4-2-3-5-15(14)23(11)10-16-21-22-17(24-16)20-13-8-6-12(18)7-9-13/h2-9H,10H2,1H3,(H,20,22)	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	173	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...				Bioorg Med Chem Lett 26: 4020-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.084 BindingDB Entry DOI: 10.7270/Q2639RP0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50190257 (CHEMBL3828150) Show SMILES COc1ccccc1Nc1nnc(Cn2c(C)nc3ccccc23)s1 Show InChI InChI=1S/C18H17N5OS/c1-12-19-13-7-3-5-9-15(13)23(12)11-17-21-22-18(25-17)20-14-8-4-6-10-16(14)24-2/h3-10H,11H2,1-2H3,(H,20,22)	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	184	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...				Bioorg Med Chem Lett 26: 4020-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.084 BindingDB Entry DOI: 10.7270/Q2639RP0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50190169 (CHEMBL3828114) Show SMILES Cc1nc2ccccc2n1Cc1nnc(Nc2ccccc2Br)s1 Show InChI InChI=1S/C17H14BrN5S/c1-11-19-14-8-4-5-9-15(14)23(11)10-16-21-22-17(24-16)20-13-7-3-2-6-12(13)18/h2-9H,10H2,1H3,(H,20,22)	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	190	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...				Bioorg Med Chem Lett 26: 4020-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.084 BindingDB Entry DOI: 10.7270/Q2639RP0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM193701 (Pyrimidin-4-one-1,2,3-triazole conjugate, 3b) Show SMILES Cn1c(SCc2cn(nn2)-c2ccc(F)cc2)nc(cc1=O)-c1ccccc1 Show InChI InChI=1S/C20H16FN5OS/c1-25-19(27)11-18(14-5-3-2-4-6-14)22-20(25)28-13-16-12-26(24-23-16)17-9-7-15(21)8-10-17/h2-12H,13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Jamia Hamdard (Hamdard University)					Assay Description In a typical assay, 10 µL of test compound of different concentrations (dissolved in dimethyl sulfoxide [DMSO] and diluted with assay buffer) and 10 ...				Bioorg Chem 68: 41-55 (2016) Article DOI: 10.1016/j.bioorg.2016.07.007 BindingDB Entry DOI: 10.7270/Q2WM1C6H
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50190173 (CHEMBL3828491) Show SMILES Cc1nc2ccccc2n1CC(=O)NNC(=O)Cc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C18H17N5O4/c1-12-19-15-4-2-3-5-16(15)22(12)11-18(25)21-20-17(24)10-13-6-8-14(9-7-13)23(26)27/h2-9H,10-11H2,1H3,(H,20,24)(H,21,25)	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	205	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...				Bioorg Med Chem Lett 26: 4020-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.084 BindingDB Entry DOI: 10.7270/Q2639RP0
					More data for this Ligand-Target Pair
Bone morphogenetic protein receptor type-1B (Homo sapiens (Human))	BDBM50262685 (6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(pyridin-...) Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccncc1 Show InChI InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	235	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50190185 (CHEMBL3827240) Show SMILES CCOc1ccc(Nc2nnc(Cn3c(C)nc4ccccc34)s2)cc1 Show InChI InChI=1S/C19H19N5OS/c1-3-25-15-10-8-14(9-11-15)21-19-23-22-18(26-19)12-24-13(2)20-16-6-4-5-7-17(16)24/h4-11H,3,12H2,1-2H3,(H,21,23)	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	293	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...				Bioorg Med Chem Lett 26: 4020-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.084 BindingDB Entry DOI: 10.7270/Q2639RP0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM193703 (Pyrimidin-4-one-1,2,3-triazole conjugate, 3d) Show SMILES Cc1ccccc1-n1cc(CSc2nc(cc(=O)n2C)-c2ccccc2)nn1 Show InChI InChI=1S/C21H19N5OS/c1-15-8-6-7-11-19(15)26-13-17(23-24-26)14-28-21-22-18(12-20(27)25(21)2)16-9-4-3-5-10-16/h3-13H,14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	302	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description In a typical assay, 10 µL of test compound of different concentrations (dissolved in dimethyl sulfoxide [DMSO] and diluted with assay buffer) and 10 ...				Bioorg Chem 68: 41-55 (2016) Article DOI: 10.1016/j.bioorg.2016.07.007 BindingDB Entry DOI: 10.7270/Q2WM1C6H
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50190172 (CHEMBL3828571) Show SMILES COc1ccc(CC(=O)NNC(=O)Cn2c(C)nc3ccccc23)cc1 Show InChI InChI=1S/C19H20N4O3/c1-13-20-16-5-3-4-6-17(16)23(13)12-19(25)22-21-18(24)11-14-7-9-15(26-2)10-8-14/h3-10H,11-12H2,1-2H3,(H,21,24)(H,22,25)	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	379	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...				Bioorg Med Chem Lett 26: 4020-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.084 BindingDB Entry DOI: 10.7270/Q2639RP0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50190183 (CHEMBL3828352) Show SMILES Cc1nc2ccccc2n1Cc1nnc(NC2CCCCC2)s1 Show InChI InChI=1S/C17H21N5S/c1-12-18-14-9-5-6-10-15(14)22(12)11-16-20-21-17(23-16)19-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H,19,21)	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	406	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...				Bioorg Med Chem Lett 26: 4020-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.084 BindingDB Entry DOI: 10.7270/Q2639RP0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM193702 (Pyrimidin-4-one-1,2,3-triazole conjugate, 3c) Show SMILES Cn1c(SCc2cn(nn2)-c2ccccc2Br)nc(cc1=O)-c1ccccc1 Show InChI InChI=1S/C20H16BrN5OS/c1-25-19(27)11-17(14-7-3-2-4-8-14)22-20(25)28-13-15-12-26(24-23-15)18-10-6-5-9-16(18)21/h2-12H,13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	437	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description In a typical assay, 10 µL of test compound of different concentrations (dissolved in dimethyl sulfoxide [DMSO] and diluted with assay buffer) and 10 ...				Bioorg Chem 68: 41-55 (2016) Article DOI: 10.1016/j.bioorg.2016.07.007 BindingDB Entry DOI: 10.7270/Q2WM1C6H
					More data for this Ligand-Target Pair
Bone morphogenetic protein receptor type-2 (Homo sapiens (Human))	BDBM50613308 (CHEMBL5271220) Show SMILES O=C1NCCc2cccc(Nc3nccc(Nc4cc1[nH]n4)n3)c2 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	461	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM193710 (Pyrimidin-4-one-1,2,3-triazole conjugate, 3k) Show SMILES Cn1c(SCc2cn(nn2)-c2cccc(Cl)c2)nc(cc1=O)-c1ccccc1 Show InChI InChI=1S/C20H16ClN5OS/c1-25-19(27)11-18(14-6-3-2-4-7-14)22-20(25)28-13-16-12-26(24-23-16)17-9-5-8-15(21)10-17/h2-12H,13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	502	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description In a typical assay, 10 µL of test compound of different concentrations (dissolved in dimethyl sulfoxide [DMSO] and diluted with assay buffer) and 10 ...				Bioorg Chem 68: 41-55 (2016) Article DOI: 10.1016/j.bioorg.2016.07.007 BindingDB Entry DOI: 10.7270/Q2WM1C6H
					More data for this Ligand-Target Pair
Bone morphogenetic protein receptor type-2 (Homo sapiens (Human))	BDBM50613307 (CHEMBL5271697) Show SMILES O=C1NCCc2ccc(Nc3nccc(Nc4cc1[nH]n4)n3)cc2 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	506	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50190181 (CHEMBL3827724) Show SMILES COc1ccc(cc1)C(=O)CCC(=O)NNC(=O)Cn1c(C)nc2ccccc12 Show InChI InChI=1S/C21H22N4O4/c1-14-22-17-5-3-4-6-18(17)25(14)13-21(28)24-23-20(27)12-11-19(26)15-7-9-16(29-2)10-8-15/h3-10H,11-13H2,1-2H3,(H,23,27)(H,24,28)	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	561	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...				Bioorg Med Chem Lett 26: 4020-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.084 BindingDB Entry DOI: 10.7270/Q2639RP0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM193712 (Pyrimidin-4-one-1,2,3-triazole conjugate, 3m) Show SMILES Cn1c(SCc2cn(nn2)-c2ccccc2Cl)nc(cc1=O)-c1ccccc1 Show InChI InChI=1S/C20H16ClN5OS/c1-25-19(27)11-17(14-7-3-2-4-8-14)22-20(25)28-13-15-12-26(24-23-15)18-10-6-5-9-16(18)21/h2-12H,13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	577	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description In a typical assay, 10 µL of test compound of different concentrations (dissolved in dimethyl sulfoxide [DMSO] and diluted with assay buffer) and 10 ...				Bioorg Chem 68: 41-55 (2016) Article DOI: 10.1016/j.bioorg.2016.07.007 BindingDB Entry DOI: 10.7270/Q2WM1C6H
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50190182 (CHEMBL3828397) Show SMILES CCCCNc1nnc(Cn2c(C)nc3ccccc23)s1 Show InChI InChI=1S/C15H19N5S/c1-3-4-9-16-15-19-18-14(21-15)10-20-11(2)17-12-7-5-6-8-13(12)20/h5-8H,3-4,9-10H2,1-2H3,(H,16,19)	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	582	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged GSK-3beta expressed in Escherichia coli using glycogen synthase-2 as substrate and ATP measured...				Bioorg Med Chem Lett 26: 4020-4 (2016) Article DOI: 10.1016/j.bmcl.2016.06.084 BindingDB Entry DOI: 10.7270/Q2639RP0
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM193716 (Pyrimidin-4-one-1,2,3-triazole conjugate, 3q) Show SMILES Cn1c(SCc2cn(nn2)-c2ccc(cc2)[N+]([O-])=O)nc(cc1=O)-c1ccccc1 Show InChI InChI=1S/C20H16N6O3S/c1-24-19(27)11-18(14-5-3-2-4-6-14)21-20(24)30-13-15-12-25(23-22-15)16-7-9-17(10-8-16)26(28)29/h2-12H,13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	587	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description In a typical assay, 10 µL of test compound of different concentrations (dissolved in dimethyl sulfoxide [DMSO] and diluted with assay buffer) and 10 ...				Bioorg Chem 68: 41-55 (2016) Article DOI: 10.1016/j.bioorg.2016.07.007 BindingDB Entry DOI: 10.7270/Q2WM1C6H
					More data for this Ligand-Target Pair
Bone morphogenetic protein receptor type-2 (Homo sapiens (Human))	BDBM50613309 (CHEMBL5278418) Show SMILES O=C1NCCCCCNc2nccc(Nc3cc1[nH]n3)n2 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM193700 (Pyrimidin-4-one-1,2,3-triazole conjugate, 3a) Show SMILES Cn1c(SCc2cn(nn2)-c2ccc(Br)cc2)nc(cc1=O)-c1ccccc1 Show InChI InChI=1S/C20H16BrN5OS/c1-25-19(27)11-18(14-5-3-2-4-6-14)22-20(25)28-13-16-12-26(24-23-16)17-9-7-15(21)8-10-17/h2-12H,13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	744	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description In a typical assay, 10 µL of test compound of different concentrations (dissolved in dimethyl sulfoxide [DMSO] and diluted with assay buffer) and 10 ...				Bioorg Chem 68: 41-55 (2016) Article DOI: 10.1016/j.bioorg.2016.07.007 BindingDB Entry DOI: 10.7270/Q2WM1C6H
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM193704 (Pyrimidin-4-one-1,2,3-triazole conjugate, 3e) Show SMILES Cn1c(SCc2cn(nn2)-c2ccccc2)nc(cc1=O)-c1ccccc1 Show InChI InChI=1S/C20H17N5OS/c1-24-19(26)12-18(15-8-4-2-5-9-15)21-20(24)27-14-16-13-25(23-22-16)17-10-6-3-7-11-17/h2-13H,14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	916	n/a	n/a	n/a	n/a	n/a	n/a
Jamia Hamdard (Hamdard University)					Assay Description In a typical assay, 10 µL of test compound of different concentrations (dissolved in dimethyl sulfoxide [DMSO] and diluted with assay buffer) and 10 ...				Bioorg Chem 68: 41-55 (2016) Article DOI: 10.1016/j.bioorg.2016.07.007 BindingDB Entry DOI: 10.7270/Q2WM1C6H
					More data for this Ligand-Target Pair

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