Compile Data Set for Download or QSAR

Found 200 hits with Last Name = 'minguez' and Initial = 'jm'   

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 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 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 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
Beta-secretase 2 (Homo sapiens (Human))	BDBM50540172 (CHEMBL4637426) Show SMILES [H][C@]1(C[C@H]1C(C)(C)OC[C@@H]1C[C@H]1C)[C@]12CN(C[C@@]1([H])CSC(N)=N2)c1ncccn1 |r,c:25| Show InChI InChI=1S/C21H31N5OS/c1-13-7-14(13)10-27-20(2,3)16-8-17(16)21-12-26(19-23-5-4-6-24-19)9-15(21)11-28-18(22)25-21/h4-6,13-17H,7-12H2,1-3H3,(H2,22,25)/t13-,14+,15+,16-,17-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human BACE2				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115194 BindingDB Entry DOI: 10.7270/Q2B56P8K
					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
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
Beta-secretase 2 (Homo sapiens (Human))	BDBM50012647 (CHEMBL2396989) Show SMILES [H][C@@]12COC[C@@]1(N=C(N)SC2)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,t:7| Show InChI InChI=1S/C18H16F2N4O2S/c19-11-1-4-15(22-6-11)16(25)23-12-2-3-14(20)13(5-12)18-9-26-7-10(18)8-27-17(21)24-18/h1-6,10H,7-9H2,(H2,21,24)(H,23,25)/t10-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human BACE2				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115194 BindingDB Entry DOI: 10.7270/Q2B56P8K
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50540172 (CHEMBL4637426) Show SMILES [H][C@]1(C[C@H]1C(C)(C)OC[C@@H]1C[C@H]1C)[C@]12CN(C[C@@]1([H])CSC(N)=N2)c1ncccn1 |r,c:25| Show InChI InChI=1S/C21H31N5OS/c1-13-7-14(13)10-27-20(2,3)16-8-17(16)21-12-26(19-23-5-4-6-24-19)9-15(21)11-28-18(22)25-21/h4-6,13-17H,7-12H2,1-3H3,(H2,22,25)/t13-,14+,15+,16-,17-,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human BACE1 (1 to 460 residues) expressed in HEK293 cells using mcaFRET peptide as substrate after 20 hrs by FRET assay				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115194 BindingDB Entry DOI: 10.7270/Q2B56P8K
					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))	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))	BDBM50389088 (CHEMBL2064516) Show SMILES N#Cc1cccc(CSc2nnc(o2)-c2ccc3OCOc3c2)c1 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))	BDBM50389089 (CHEMBL2064517) Show SMILES N#Cc1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1 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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50540171 (CHEMBL4643727) Show SMILES [H][C@]1(C[C@H]1C(=O)NC[C@@H]1C[C@H]1C)[C@]12CN(C[C@@]1([H])CSC(N)=N2)c1ncccn1 |r,c:24| Show InChI InChI=1S/C19H26N6OS/c1-11-5-12(11)7-23-16(26)14-6-15(14)19-10-25(18-21-3-2-4-22-18)8-13(19)9-27-17(20)24-19/h2-4,11-15H,5-10H2,1H3,(H2,20,24)(H,23,26)/t11-,12+,13+,14-,15-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of BACE1 (unknown origin) by cell based assay				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115194 BindingDB Entry DOI: 10.7270/Q2B56P8K
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50389082 (CHEMBL2064536) Show SMILES N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1 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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50012647 (CHEMBL2396989) Show SMILES [H][C@@]12COC[C@@]1(N=C(N)SC2)c1cc(NC(=O)c2ccc(F)cn2)ccc1F |r,t:7| Show InChI InChI=1S/C18H16F2N4O2S/c19-11-1-4-15(22-6-11)16(25)23-12-2-3-14(20)13(5-12)18-9-26-7-10(18)8-27-17(21)24-18/h1-6,10H,7-9H2,(H2,21,24)(H,23,25)/t10-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human BACE1 (1 to 460 residues) expressed in HEK293 cells using mcaFRET peptide as substrate after 20 hrs by FRET assay				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115194 BindingDB Entry DOI: 10.7270/Q2B56P8K
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50540171 (CHEMBL4643727) Show SMILES [H][C@]1(C[C@H]1C(=O)NC[C@@H]1C[C@H]1C)[C@]12CN(C[C@@]1([H])CSC(N)=N2)c1ncccn1 |r,c:24| Show InChI InChI=1S/C19H26N6OS/c1-11-5-12(11)7-23-16(26)14-6-15(14)19-10-25(18-21-3-2-4-22-18)8-13(19)9-27-17(20)24-19/h2-4,11-15H,5-10H2,1H3,(H2,20,24)(H,23,26)/t11-,12+,13+,14-,15-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human BACE2				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115194 BindingDB Entry DOI: 10.7270/Q2B56P8K
					More data for this Ligand-Target Pair
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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50540171 (CHEMBL4643727) Show SMILES [H][C@]1(C[C@H]1C(=O)NC[C@@H]1C[C@H]1C)[C@]12CN(C[C@@]1([H])CSC(N)=N2)c1ncccn1 |r,c:24| Show InChI InChI=1S/C19H26N6OS/c1-11-5-12(11)7-23-16(26)14-6-15(14)19-10-25(18-21-3-2-4-22-18)8-13(19)9-27-17(20)24-19/h2-4,11-15H,5-10H2,1H3,(H2,20,24)(H,23,26)/t11-,12+,13+,14-,15-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human BACE1 (1 to 460 residues) expressed in HEK293 cells using mcaFRET peptide as substrate after 20 hrs by FRET assay				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115194 BindingDB Entry DOI: 10.7270/Q2B56P8K
					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 SMILES N#Cc1ccccc1-c1ccc(CSc2nnc(o2)-c2ccncc2)cc1 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
Beta-secretase 2 (Homo sapiens (Human))	BDBM50540170 (CHEMBL4636286) Show SMILES [H][C@]1(C[C@H]1C(=O)NCCCC)[C@]12CN(C[C@@]1([H])CSC(N)=N2)c1ncccn1 |r,c:22| Show InChI InChI=1S/C18H26N6OS/c1-2-3-5-20-15(25)13-8-14(13)18-11-24(17-21-6-4-7-22-17)9-12(18)10-26-16(19)23-18/h4,6-7,12-14H,2-3,5,8-11H2,1H3,(H2,19,23)(H,20,25)/t12-,13+,14+,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human BACE2				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115194 BindingDB Entry DOI: 10.7270/Q2B56P8K
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50389091 (CHEMBL2064519) Show SMILES N#Cc1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1 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 SMILES N#Cc1cccc(CSc2nnc(o2)-c2ccc3OCOc3c2)c1 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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50540170 (CHEMBL4636286) Show SMILES [H][C@]1(C[C@H]1C(=O)NCCCC)[C@]12CN(C[C@@]1([H])CSC(N)=N2)c1ncccn1 |r,c:22| Show InChI InChI=1S/C18H26N6OS/c1-2-3-5-20-15(25)13-8-14(13)18-11-24(17-21-6-4-7-22-17)9-12(18)10-26-16(19)23-18/h4,6-7,12-14H,2-3,5,8-11H2,1H3,(H2,19,23)(H,20,25)/t12-,13+,14+,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human BACE1 (1 to 460 residues) expressed in HEK293 cells using mcaFRET peptide as substrate after 20 hrs by FRET assay				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115194 BindingDB Entry DOI: 10.7270/Q2B56P8K
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50389090 (CHEMBL2064518) Show SMILES N#Cc1cccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)c1 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 SMILES N#Cc1cccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)c1 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
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 SMILES N#Cc1ccc(CSc2nnc(o2)-c2ccc3OCOc3c2)cc1 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 SMILES N#Cc1ccc(CSc2nnc(o2)-c2ccc3OCCOc3c2)cc1 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
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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50012632 (CHEMBL2333941) Show SMILES C[C@]1(CCSC(N)=N1)c1cc(c(F)cc1F)-c1cncnc1 |r,c:6| Show InChI InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	239	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human BACE1 (1 to 460 residues) expressed in HEK293 cells using mcaFRET peptide as substrate after 20 hrs by FRET assay				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115194 BindingDB Entry DOI: 10.7270/Q2B56P8K
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM50012632 (CHEMBL2333941) Show SMILES C[C@]1(CCSC(N)=N1)c1cc(c(F)cc1F)-c1cncnc1 |r,c:6| Show InChI InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	288	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human BACE2				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115194 BindingDB Entry DOI: 10.7270/Q2B56P8K
					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
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8552 (2-{[(3-iodophenyl)methyl]sulfanyl}-5-(pyridin-4-yl...) Show SMILES Ic1cccc(CSc2nnc(o2)-c2ccncc2)c1 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
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 SMILES Ic1cccc(CSc2nnc(o2)-c2ccncc2)c1 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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50540168 (CHEMBL4644249) Show SMILES [H][C@]1(C[C@H]1C(=O)NC[C@@H]1C[C@H]1C)[C@]12COC[C@@]1([H])CSC(N)=N2 |r,c:24| Show InChI InChI=1S/C15H23N3O2S/c1-8-2-9(8)4-17-13(19)11-3-12(11)15-7-20-5-10(15)6-21-14(16)18-15/h8-12H,2-7H2,1H3,(H2,16,18)(H,17,19)/t8-,9+,10+,11-,12-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human BACE1 (1 to 460 residues) expressed in HEK293 cells using mcaFRET peptide as substrate after 20 hrs by FRET assay				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115194 BindingDB Entry DOI: 10.7270/Q2B56P8K
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8548 (2-(benzylsulfanyl)-5-(pyridin-4-yl)-1,3,4-oxadiazo...) Show SMILES C(Sc1nnc(o1)-c1ccncc1)c1ccccc1 Show InChI InChI=1S/C14H11N3OS/c1-2-4-11(5-3-1)10-19-14-17-16-13(18-14)12-6-8-15-9-7-12/h1-9H,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.32E+3	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
Beta-secretase 2 (Homo sapiens (Human))	BDBM50540168 (CHEMBL4644249) Show SMILES [H][C@]1(C[C@H]1C(=O)NC[C@@H]1C[C@H]1C)[C@]12COC[C@@]1([H])CSC(N)=N2 |r,c:24| Show InChI InChI=1S/C15H23N3O2S/c1-8-2-9(8)4-17-13(19)11-3-12(11)15-7-20-5-10(15)6-21-14(16)18-15/h8-12H,2-7H2,1H3,(H2,16,18)(H,17,19)/t8-,9+,10+,11-,12-,15+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Inhibition of human BACE2				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2019.115194 BindingDB Entry DOI: 10.7270/Q2B56P8K
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM8548 (2-(benzylsulfanyl)-5-(pyridin-4-yl)-1,3,4-oxadiazo...) Show SMILES C(Sc1nnc(o1)-c1ccncc1)c1ccccc1 Show InChI InChI=1S/C14H11N3OS/c1-2-4-11(5-3-1)10-19-14-17-16-13(18-14)12-6-8-15-9-7-12/h1-9H,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.24E+3	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))	BDBM50389092 (CHEMBL2064521) Show SMILES N#Cc1cccc(CSc2nnc(o2)-c2ccncc2)c1 Show InChI InChI=1S/C15H10N4OS/c16-9-11-2-1-3-12(8-11)10-21-15-19-18-14(20-15)13-4-6-17-7-5-13/h1-8H,10H2	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	3.16E+3	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

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