Compile Data Set for Download or QSAR

Found 278 hits with Last Name = 'asano' and Initial = 's'   

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))	BDBM50269447 (CHEMBL4076186) Show SMILES Cl.COc1cc(F)ccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1 Show InChI InChI=1S/C20H21FN6O2.ClH/c1-26-19(28)10-16(15-5-6-22-12-24-15)25-20(26)27-8-7-23-17(11-27)14-4-3-13(21)9-18(14)29-2;/h3-6,9-10,12,17,23H,7-8,11H2,1-2H3;1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269447 (CHEMBL4076186) Show SMILES Cl.COc1cc(F)ccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1 Show InChI InChI=1S/C20H21FN6O2.ClH/c1-26-19(28)10-16(15-5-6-22-12-24-15)25-20(26)27-8-7-23-17(11-27)14-4-3-13(21)9-18(14)29-2;/h3-6,9-10,12,17,23H,7-8,11H2,1-2H3;1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r,TLB:17:16:9.15.10:13.12| Show InChI InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity against CCR5 receptor in human TZM-bl cells assessed as inhibition of HIV-1 MGC26-induced cell-cell fusion between viral envelope...				ACS Med Chem Lett 5: 133-137 (2014) Article DOI: 10.1021/ml400370w BindingDB Entry DOI: 10.7270/Q2RB762X
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269455 (CHEMBL4087402) Show SMILES Cl.COc1cc(F)ccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1 Show InChI InChI=1S/C21H22FN5O2.ClH/c1-26-20(28)12-17(14-5-7-23-8-6-14)25-21(26)27-10-9-24-18(13-27)16-4-3-15(22)11-19(16)29-2;/h3-8,11-12,18,24H,9-10,13H2,1-2H3;1H	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269455 (CHEMBL4087402) Show SMILES Cl.COc1cc(F)ccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1 Show InChI InChI=1S/C21H22FN5O2.ClH/c1-26-20(28)12-17(14-5-7-23-8-6-14)25-21(26)27-10-9-24-18(13-27)16-4-3-15(22)11-19(16)29-2;/h3-8,11-12,18,24H,9-10,13H2,1-2H3;1H	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r,TLB:17:16:9.15.10:13.12| Show InChI InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity against CCR5 receptor in human TZM-bl cells assessed as inhibition of HIV-1 YU2-induced cell-cell fusion between viral envelope p...				ACS Med Chem Lett 5: 133-137 (2014) Article DOI: 10.1021/ml400370w BindingDB Entry DOI: 10.7270/Q2RB762X
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50446234 (CHEMBL3109175) Show SMILES Cc1nnc(CCCCCCCCCCN=[N+]=[N-])n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r,TLB:27:26:19.20.25:22.23,THB:18:19:26:22.23| Show InChI InChI=1S/C36H54F2N8O/c1-27-42-43-34(15-11-6-4-2-3-5-7-12-23-40-44-39)46(27)32-25-30-16-17-31(26-32)45(30)24-20-33(28-13-9-8-10-14-28)41-35(47)29-18-21-36(37,38)22-19-29/h8-10,13-14,29-33H,2-7,11-12,15-26H2,1H3,(H,41,47)/t30?,31?,32?,33-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.960	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity against CCR5 receptor in human TZM-bl cells assessed as inhibition of HIV-1 JR-FL-induced cell-cell fusion between viral envelope...				ACS Med Chem Lett 5: 133-137 (2014) Article DOI: 10.1021/ml400370w BindingDB Entry DOI: 10.7270/Q2RB762X
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269492 (CHEMBL4067532) Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1cccc(Cl)c1 Show InChI InChI=1S/C19H19ClN6O/c1-25-18(27)10-16(15-5-6-21-12-23-15)24-19(25)26-8-7-22-17(11-26)13-3-2-4-14(20)9-13/h2-6,9-10,12,17,22H,7-8,11H2,1H3	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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269452 (CHEMBL4105346) Show SMILES Cl.Cn1c(nc(cc1=O)-c1ccncn1)N1CCN[C@H](C1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H19ClN6O.ClH/c1-25-18(27)10-16(15-6-7-21-12-23-15)24-19(25)26-9-8-22-17(11-26)13-2-4-14(20)5-3-13;/h2-7,10,12,17,22H,8-9,11H2,1H3;1H/t17-;/m1./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r,TLB:17:16:9.15.10:13.12| Show InChI InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity against CCR5 receptor in human TZM-bl cells assessed as inhibition of HIV-1 92RW-induced cell-cell fusion between viral envelope ...				ACS Med Chem Lett 5: 133-137 (2014) Article DOI: 10.1021/ml400370w BindingDB Entry DOI: 10.7270/Q2RB762X
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50334986 (4,4-Difluoro-cyclohexanecarboxylic acid {(S)-3-[(1...) Show SMILES CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r,TLB:17:16:9.15.10:13.12| Show InChI InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23-,24+,25-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity against CCR5 receptor in human TZM-bl cells assessed as inhibition of HIV-1 JR-FL-induced cell-cell fusion between viral envelope...				ACS Med Chem Lett 5: 133-137 (2014) Article DOI: 10.1021/ml400370w BindingDB Entry DOI: 10.7270/Q2RB762X
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269494 (CHEMBL4104714) Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H19ClN6O/c1-25-18(27)10-16(15-6-7-21-12-23-15)24-19(25)26-9-8-22-17(11-26)13-2-4-14(20)5-3-13/h2-7,10,12,17,22H,8-9,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269485 (CHEMBL4071429) Show SMILES Cl.COc1cc(F)cc(F)c1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1 Show InChI InChI=1S/C20H20F2N6O2.ClH/c1-27-18(29)9-15(14-3-4-23-11-25-14)26-20(27)28-6-5-24-16(10-28)19-13(22)7-12(21)8-17(19)30-2;/h3-4,7-9,11,16,24H,5-6,10H2,1-2H3;1H	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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269472 (CHEMBL4065624) Show SMILES Cl.COc1ccccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1 Show InChI InChI=1S/C20H22N6O2.ClH/c1-25-19(27)11-16(15-7-8-21-13-23-15)24-20(25)26-10-9-22-17(12-26)14-5-3-4-6-18(14)28-2;/h3-8,11,13,17,22H,9-10,12H2,1-2H3;1H	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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269471 (CHEMBL4085821) Show SMILES Cl.COc1ccccc1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1 Show InChI InChI=1S/C21H23N5O2.ClH/c1-25-20(27)13-17(15-7-9-22-10-8-15)24-21(25)26-12-11-23-18(14-26)16-5-3-4-6-19(16)28-2;/h3-10,13,18,23H,11-12,14H2,1-2H3;1H	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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269484 (CHEMBL4098458) Show SMILES Cl.COc1cc(F)cc(F)c1C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1 Show InChI InChI=1S/C21H21F2N5O2.ClH/c1-27-19(29)11-16(13-3-5-24-6-4-13)26-21(27)28-8-7-25-17(12-28)20-15(23)9-14(22)10-18(20)30-2;/h3-6,9-11,17,25H,7-8,12H2,1-2H3;1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269464 (CHEMBL4088777) Show SMILES Cl.Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1cccc(Br)c1 Show InChI InChI=1S/C19H19BrN6O.ClH/c1-25-18(27)10-16(15-5-6-21-12-23-15)24-19(25)26-8-7-22-17(11-26)13-3-2-4-14(20)9-13;/h2-6,9-10,12,17,22H,7-8,11H2,1H3;1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269457 (CHEMBL4072455) Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C19H18Cl2N6O/c1-26-18(28)9-16(15-4-5-22-11-24-15)25-19(26)27-7-6-23-17(10-27)12-2-3-13(20)14(21)8-12/h2-5,8-9,11,17,23H,6-7,10H2,1H3	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	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269489 (CHEMBL4073837) Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1ccccc1Cl Show InChI InChI=1S/C19H19ClN6O/c1-25-18(27)10-16(15-6-7-21-12-23-15)24-19(25)26-9-8-22-17(11-26)13-4-2-3-5-14(13)20/h2-7,10,12,17,22H,8-9,11H2,1H3	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	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50446232 (CHEMBL3109173) Show SMILES Cc1nnc(CCCCCCCCCCn2cc(COCCOCCOCCOCCOCc3ccc(cc3)C(=O)N3CCC3=O)nn2)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r,TLB:57:56:49.50.55:52.53| Show InChI InChI=1S/C58H83F2N9O8/c1-44-62-64-54(69(44)52-39-50-20-21-51(40-52)67(50)29-24-53(46-13-9-8-10-14-46)61-56(71)47-22-26-58(59,60)27-23-47)15-11-6-4-2-3-5-7-12-28-66-41-49(63-65-66)43-77-38-36-75-34-32-73-31-33-74-35-37-76-42-45-16-18-48(19-17-45)57(72)68-30-25-55(68)70/h8-10,13-14,16-19,41,47,50-53H,2-7,11-12,15,20-40,42-43H2,1H3,(H,61,71)/t50?,51?,52?,53-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity against CCR5 receptor in human TZM-bl cells assessed as inhibition of HIV-1 JR-FL-induced cell-cell fusion between viral envelope...				ACS Med Chem Lett 5: 133-137 (2014) Article DOI: 10.1021/ml400370w BindingDB Entry DOI: 10.7270/Q2RB762X
					More data for this Ligand-Target Pair
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50446231 (CHEMBL3109172) Show SMILES Cc1nnc(CCCCCCCCCCn2cc(COCCOCCOCCOCCOCc3ccc(cc3)C(=O)NCCCNC(=O)OC(C)(C)C)nn2)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 |r,TLB:64:63:56.57.62:59.60,THB:55:56:63:59.60| Show InChI InChI=1S/C63H96F2N10O9/c1-48-69-71-58(75(48)56-43-54-24-25-55(44-56)74(54)34-28-57(50-17-12-11-13-18-50)68-60(77)52-26-29-63(64,65)30-27-52)19-14-9-7-5-6-8-10-15-33-73-45-53(70-72-73)47-83-42-40-81-38-36-79-35-37-80-39-41-82-46-49-20-22-51(23-21-49)59(76)66-31-16-32-67-61(78)84-62(2,3)4/h11-13,17-18,20-23,45,52,54-57H,5-10,14-16,19,24-44,46-47H2,1-4H3,(H,66,76)(H,67,78)(H,68,77)/t54?,55?,56?,57-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Antagonist activity against CCR5 receptor in human TZM-bl cells assessed as inhibition of HIV-1 JR-FL-induced cell-cell fusion between viral envelope...				ACS Med Chem Lett 5: 133-137 (2014) Article DOI: 10.1021/ml400370w BindingDB Entry DOI: 10.7270/Q2RB762X
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269493 (CHEMBL4096472) Show SMILES Cl.COc1ccc(cc1)C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1 Show InChI InChI=1S/C20H22N6O2.ClH/c1-25-19(27)11-17(16-7-8-21-13-23-16)24-20(25)26-10-9-22-18(12-26)14-3-5-15(28-2)6-4-14;/h3-8,11,13,18,22H,9-10,12H2,1-2H3;1H	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	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50033123 (CHEMBL3356618) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2N(CCCN3CCCC3)CCc2c(C)n1 Show InChI InChI=1S/C25H36N6/c1-20-23-10-15-31(14-5-13-29-11-3-4-12-29)25(23)27-24(26-20)21-6-8-22(9-7-21)30-18-16-28(2)17-19-30/h6-9H,3-5,10-19H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay				ACS Med Chem Lett 5: 1235-9 (2014) Article DOI: 10.1021/ml5003184 BindingDB Entry DOI: 10.7270/Q2M32XBN
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50033119 (CHEMBL3357062) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ncc2CCN(CCCN3CCCC3)c2n1 Show InChI InChI=1S/C24H34N6/c1-27-15-17-29(18-16-27)22-7-5-20(6-8-22)23-25-19-21-9-14-30(24(21)26-23)13-4-12-28-10-2-3-11-28/h5-8,19H,2-4,9-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay				ACS Med Chem Lett 5: 1235-9 (2014) Article DOI: 10.1021/ml5003184 BindingDB Entry DOI: 10.7270/Q2M32XBN
					More data for this Ligand-Target Pair
Sterol O-acyltransferase 1 (Rattus norvegicus)	BDBM50298278 (CHEMBL574392 | N-(4-Amino-2,6-diisopropylphenyl)-N...) Show SMILES COc1cccc(c1)C1(CNC(=O)Nc2c(cc(N)cc2C(C)C)C(C)C)CCN(CC1)c1ncccc1OCCCO Show InChI InChI=1S/C34H47N5O4/c1-23(2)28-20-26(35)21-29(24(3)4)31(28)38-33(41)37-22-34(25-9-6-10-27(19-25)42-5)12-15-39(16-13-34)32-30(11-7-14-36-32)43-18-8-17-40/h6-7,9-11,14,19-21,23-24,40H,8,12-13,15-18,22,35H2,1-5H3,(H2,37,38,41)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co Ltd Curated by ChEMBL					Assay Description Inhibition of ACAT in rat macrophages assessed as incorporation of extracellular [3H]-oleic acid-BSA complex into the intracellular cholesteryl ester...				Bioorg Med Chem 17: 4636-46 (2009) Article DOI: 10.1016/j.bmc.2009.04.059 BindingDB Entry DOI: 10.7270/Q24M94KR
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269490 (CHEMBL4100923) Show SMILES Cn1c(nc(cc1=O)-c1ccncc1)N1CCNC(C1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H19Cl2N5O/c1-26-19(28)11-17(13-4-6-23-7-5-13)25-20(26)27-9-8-24-18(12-27)14-2-3-15(21)16(22)10-14/h2-7,10-11,18,24H,8-9,12H2,1H3	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	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269456 (CHEMBL4089702) Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1ccccc1Br Show InChI InChI=1S/C19H19BrN6O/c1-25-18(27)10-16(15-6-7-21-12-23-15)24-19(25)26-9-8-22-17(11-26)13-4-2-3-5-14(13)20/h2-7,10,12,17,22H,8-9,11H2,1H3	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	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50033101 (CHEMBL2144205) Show SMILES COc1cc2nc(nc(NCCN3CCOCC3)c2cc1OC)-c1ccc(cc1)N1CCN(C)CC1 Show InChI InChI=1S/C27H36N6O3/c1-31-10-12-33(13-11-31)21-6-4-20(5-7-21)26-29-23-19-25(35-3)24(34-2)18-22(23)27(30-26)28-8-9-32-14-16-36-17-15-32/h4-7,18-19H,8-17H2,1-3H3,(H,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay				ACS Med Chem Lett 5: 1235-9 (2014) Article DOI: 10.1021/ml5003184 BindingDB Entry DOI: 10.7270/Q2M32XBN
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269465 (CHEMBL4078436) Show SMILES Cl.COc1ccc(cc1)C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1 Show InChI InChI=1S/C21H23N5O2.ClH/c1-25-20(27)13-18(16-7-9-22-10-8-16)24-21(25)26-12-11-23-19(14-26)15-3-5-17(28-2)6-4-15;/h3-10,13,19,23H,11-12,14H2,1-2H3;1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269459 (CHEMBL4062791) Show SMILES COc1ccc(cc1OC)C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1 Show InChI InChI=1S/C22H25N5O3/c1-26-21(28)13-17(15-6-8-23-9-7-15)25-22(26)27-11-10-24-18(14-27)16-4-5-19(29-2)20(12-16)30-3/h4-9,12-13,18,24H,10-11,14H2,1-3H3	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	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269463 (CHEMBL4080891) Show SMILES Cn1c(nc(cc1=O)-c1ccncc1)N1CCNC(C1)c1cccc(Cl)c1 Show InChI InChI=1S/C20H20ClN5O/c1-25-19(27)12-17(14-5-7-22-8-6-14)24-20(25)26-10-9-23-18(13-26)15-3-2-4-16(21)11-15/h2-8,11-12,18,23H,9-10,13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269468 (CHEMBL4080483) Show SMILES Cn1c(nc(cc1=O)-c1ccncc1)N1CCNC(C1)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H20ClN5O/c1-25-19(27)12-17(15-6-8-22-9-7-15)24-20(25)26-11-10-23-18(13-26)14-2-4-16(21)5-3-14/h2-9,12,18,23H,10-11,13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269491 (CHEMBL4097431) Show SMILES Cl.COc1cccc(c1)C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1 Show InChI InChI=1S/C20H22N6O2.ClH/c1-25-19(27)11-17(16-6-7-21-13-23-16)24-20(25)26-9-8-22-18(12-26)14-4-3-5-15(10-14)28-2;/h3-7,10-11,13,18,22H,8-9,12H2,1-2H3;1H	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	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269483 (CHEMBL4089283) Show SMILES Cl.Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1ccc(cc1)C#N Show InChI InChI=1S/C20H19N7O.ClH/c1-26-19(28)10-17(16-6-7-22-13-24-16)25-20(26)27-9-8-23-18(12-27)15-4-2-14(11-21)3-5-15;/h2-7,10,13,18,23H,8-9,12H2,1H3;1H	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	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269458 (CHEMBL4082944) Show SMILES COc1ccc(cc1OC)C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncn1 Show InChI InChI=1S/C21H24N6O3/c1-26-20(28)11-16(15-6-7-22-13-24-15)25-21(26)27-9-8-23-17(12-27)14-4-5-18(29-2)19(10-14)30-3/h4-7,10-11,13,17,23H,8-9,12H2,1-3H3	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	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269473 (CHEMBL4081408) Show SMILES Cl.Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1ccc(Br)cc1 Show InChI InChI=1S/C19H19BrN6O.ClH/c1-25-18(27)10-16(15-6-7-21-12-23-15)24-19(25)26-9-8-22-17(11-26)13-2-4-14(20)5-3-13;/h2-7,10,12,17,22H,8-9,11H2,1H3;1H	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	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269448 (CHEMBL4080416) Show SMILES Cl.Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1ccccc1F Show InChI InChI=1S/C19H19FN6O.ClH/c1-25-18(27)10-16(15-6-7-21-12-23-15)24-19(25)26-9-8-22-17(11-26)13-4-2-3-5-14(13)20;/h2-7,10,12,17,22H,8-9,11H2,1H3;1H	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	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269467 (CHEMBL4096984) Show SMILES Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1ccc(F)cc1 Show InChI InChI=1S/C19H19FN6O/c1-25-18(27)10-16(15-6-7-21-12-23-15)24-19(25)26-9-8-22-17(11-26)13-2-4-14(20)5-3-13/h2-7,10,12,17,22H,8-9,11H2,1H3	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	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50033108 (CHEMBL3357064) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ncc2CCN(CCCN3CCOCC3)c2n1 Show InChI InChI=1S/C24H34N6O/c1-27-11-13-29(14-12-27)22-5-3-20(4-6-22)23-25-19-21-7-10-30(24(21)26-23)9-2-8-28-15-17-31-18-16-28/h3-6,19H,2,7-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay				ACS Med Chem Lett 5: 1235-9 (2014) Article DOI: 10.1021/ml5003184 BindingDB Entry DOI: 10.7270/Q2M32XBN
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50443870 (CHEMBL3091545) Show SMILES Cn1c(NCC(=O)c2ccccc2)nc(cc1=O)-c1ccncc1 Show InChI InChI=1S/C18H16N4O2/c1-22-17(24)11-15(13-7-9-19-10-8-13)21-18(22)20-12-16(23)14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,21)	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	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta using prephosphorylated GS1 peptide as substrate after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem Lett 23: 6928-32 (2013) Article DOI: 10.1016/j.bmcl.2013.09.021 BindingDB Entry DOI: 10.7270/Q2736TV7
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269449 (CHEMBL4104642) Show SMILES Cn1c(nc(cc1=O)-c1ccncc1)N1CCNC(C1)c1ccccc1Cl Show InChI InChI=1S/C20H20ClN5O/c1-25-19(27)12-17(14-6-8-22-9-7-14)24-20(25)26-11-10-23-18(13-26)15-4-2-3-5-16(15)21/h2-9,12,18,23H,10-11,13H2,1H3	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	9.60	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50033107 (CHEMBL3357065) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ncc2CCN(CCCCN3CCOCC3)c2n1 Show InChI InChI=1S/C25H36N6O/c1-28-12-14-30(15-13-28)23-6-4-21(5-7-23)24-26-20-22-8-11-31(25(22)27-24)10-3-2-9-29-16-18-32-19-17-29/h4-7,20H,2-3,8-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay				ACS Med Chem Lett 5: 1235-9 (2014) Article DOI: 10.1021/ml5003184 BindingDB Entry DOI: 10.7270/Q2M32XBN
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM50033124 (CHEMBL3356617) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1nc2N(CCN3CCCC3)CCc2c(C)n1 Show InChI InChI=1S/C24H34N6/c1-19-22-9-12-30(18-15-28-10-3-4-11-28)24(22)26-23(25-19)20-5-7-21(8-6-20)29-16-13-27(2)14-17-29/h5-8H,3-4,9-18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 transfected in HEK293 cells after 6 hrs by NF-kappaB luciferase reporter assay				ACS Med Chem Lett 5: 1235-9 (2014) Article DOI: 10.1021/ml5003184 BindingDB Entry DOI: 10.7270/Q2M32XBN
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269453 (CHEMBL4076001) Show SMILES Cl.Cn1c(nc(cc1=O)-c1ccncc1)N1CCN[C@H](C1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H20ClN5O.ClH/c1-25-19(27)12-17(15-6-8-22-9-7-15)24-20(25)26-11-10-23-18(13-26)14-2-4-16(21)5-3-14;/h2-9,12,18,23H,10-11,13H2,1H3;1H/t18-;/m1./s1	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269460 (CHEMBL4061578) Show SMILES Cl.COc1cccc(c1)C1CN(CCN1)c1nc(cc(=O)n1C)-c1ccncc1 Show InChI InChI=1S/C21H23N5O2.ClH/c1-25-20(27)13-18(15-6-8-22-9-7-15)24-21(25)26-11-10-23-19(14-26)16-4-3-5-17(12-16)28-2;/h3-9,12-13,19,23H,10-11,14H2,1-2H3;1H	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269488 (CHEMBL4066990) Show SMILES Cl.Cn1c(nc(cc1=O)-c1ccncc1)N1CCNC(C1)c1ccccc1F Show InChI InChI=1S/C20H20FN5O.ClH/c1-25-19(27)12-17(14-6-8-22-9-7-14)24-20(25)26-11-10-23-18(13-26)15-4-2-3-5-16(15)21;/h2-9,12,18,23H,10-11,13H2,1H3;1H	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269462 (CHEMBL4064936) Show SMILES Cl.Cn1c(nc(cc1=O)-c1ccncn1)N1CCNC(C1)c1cccc(F)c1 Show InChI InChI=1S/C19H19FN6O.ClH/c1-25-18(27)10-16(15-5-6-21-12-23-15)24-19(25)26-8-7-22-17(11-26)13-3-2-4-14(20)9-13;/h2-6,9-10,12,17,22H,7-8,11H2,1H3;1H	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50494539 (CHEMBL3093034) Show SMILES Cn1c(NCC(=O)c2cccc(c2)C#N)nc(cc1=O)-c1ccncc1 Show InChI InChI=1S/C19H15N5O2/c1-24-18(26)10-16(14-5-7-21-8-6-14)23-19(24)22-12-17(25)15-4-2-3-13(9-15)11-20/h2-10H,12H2,1H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta using prephosphorylated GS1 peptide as substrate after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem Lett 23: 6928-32 (2013) Article DOI: 10.1016/j.bmcl.2013.09.021 BindingDB Entry DOI: 10.7270/Q2736TV7
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50269450 (CHEMBL4095172) Show SMILES Cn1c(nc(cc1=O)-c1ccncc1)N1CCNC(C1)c1ccccc1Br Show InChI InChI=1S/C20H20BrN5O/c1-25-19(27)12-17(14-6-8-22-9-7-14)24-20(25)26-11-10-23-18(13-26)15-4-2-3-5-16(15)21/h2-9,12,18,23H,10-11,13H2,1H3	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Sohyaku, Innovative Research Division, Mitsubishi Tanabe Pharma Corporation, 1000 Kamoshida-cho, Aoba-ku, Yokohama 227-0033, Japan. Curated by ChEMBL					Assay Description Inhibition of recombinant human GSK-3beta using prephosphorylated GS-1 peptide as substrate after 1 hr in presence of [gamma-32P]ATP by liquid scinti...				Bioorg Med Chem Lett 27: 3726-3732 (2017) Article DOI: 10.1016/j.bmcl.2017.06.078 BindingDB Entry DOI: 10.7270/Q2T43WKZ
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50494529 (CHEMBL3093032) Show SMILES Cn1c(NCC(=O)c2cccc(Cl)c2)nc(cc1=O)-c1ccncc1 Show InChI InChI=1S/C18H15ClN4O2/c1-23-17(25)10-15(12-5-7-20-8-6-12)22-18(23)21-11-16(24)13-3-2-4-14(19)9-13/h2-10H,11H2,1H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta using prephosphorylated GS1 peptide as substrate after 1 hr by liquid scintillation spectrometry				Bioorg Med Chem Lett 23: 6928-32 (2013) Article DOI: 10.1016/j.bmcl.2013.09.021 BindingDB Entry DOI: 10.7270/Q2736TV7
					More data for this Ligand-Target Pair

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