Compile Data Set for Download or QSAR

Found 197 hits with Last Name = 'yamagami' and Initial = 'k'   

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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Mus musculus (Mouse))	BDBM50462596 (CHEMBL4242659) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(CC3CCOCC3)C2)c2cnn(C)c2n1 |r| Show InChI InChI=1S/C26H36N6O5S/c1-31-25-21(14-28-31)24(37-17-19-5-4-8-32(16-19)15-18-6-9-36-10-7-18)12-22(29-25)20-11-23(30-38(3,33)34)26(35-2)27-13-20/h11-14,18-19,30H,4-10,15-17H2,1-3H3/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in Balb/c mouse splenocytes-derived B cells assessed as reduction in anti-IgM antibody-stimulated B cell proliferation after ...				Bioorg Med Chem 26: 3917-3924 (2018) Article DOI: 10.1016/j.bmc.2018.06.012 BindingDB Entry DOI: 10.7270/Q2ZP48RW
					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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Mus musculus (Mouse))	BDBM50462587 (CHEMBL4250271) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(CCC3CCOCC3)C2)c2cnn(C)c2n1 |r| Show InChI InChI=1S/C27H38N6O5S/c1-32-26-22(16-29-32)25(14-23(30-26)21-13-24(31-39(3,34)35)27(36-2)28-15-21)38-18-20-5-4-9-33(17-20)10-6-19-7-11-37-12-8-19/h13-16,19-20,31H,4-12,17-18H2,1-3H3/t20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in Balb/c mouse splenocytes-derived B cells assessed as reduction in anti-IgM antibody-stimulated B cell proliferation after ...				Bioorg Med Chem 26: 3917-3924 (2018) Article DOI: 10.1016/j.bmc.2018.06.012 BindingDB Entry DOI: 10.7270/Q2ZP48RW
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50461380 (CHEMBL4225418) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(NC(=O)c2coc(CN3CCN(Cc4cccnc4)CC3)n2)c2cnn(C)c2n1 Show InChI InChI=1S/C29H32N10O5S/c1-37-27-21(15-32-37)23(12-22(34-27)20-11-24(36-45(3,41)42)29(43-2)31-14-20)35-28(40)25-18-44-26(33-25)17-39-9-7-38(8-10-39)16-19-5-4-6-30-13-19/h4-6,11-15,18,36H,7-10,16-17H2,1-3H3,(H,34,35,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/untagged recombinant full length human p85alpha expressed in baculo...				Bioorg Med Chem 26: 2410-2419 (2018) Article DOI: 10.1016/j.bmc.2018.03.042 BindingDB Entry DOI: 10.7270/Q2PN988P
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50462596 (CHEMBL4242659) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(CC3CCOCC3)C2)c2cnn(C)c2n1 |r| Show InChI InChI=1S/C26H36N6O5S/c1-31-25-21(14-28-31)24(37-17-19-5-4-8-32(16-19)15-18-6-9-36-10-7-18)12-22(29-25)20-11-23(30-38(3,33)34)26(35-2)27-13-20/h11-14,18-19,30H,4-10,15-17H2,1-3H3/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf21 cells using PIP2 as...				Bioorg Med Chem 26: 3917-3924 (2018) Article DOI: 10.1016/j.bmc.2018.06.012 BindingDB Entry DOI: 10.7270/Q2ZP48RW
					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
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50462587 (CHEMBL4250271) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(CCC3CCOCC3)C2)c2cnn(C)c2n1 |r| Show InChI InChI=1S/C27H38N6O5S/c1-32-26-22(16-29-32)25(14-23(30-26)21-13-24(31-39(3,34)35)27(36-2)28-15-21)38-18-20-5-4-9-33(17-20)10-6-19-7-11-37-12-8-19/h13-16,19-20,31H,4-12,17-18H2,1-3H3/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf21 cells using PIP2 as...				Bioorg Med Chem 26: 3917-3924 (2018) Article DOI: 10.1016/j.bmc.2018.06.012 BindingDB Entry DOI: 10.7270/Q2ZP48RW
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50462588 (CHEMBL4248505) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(Cc3c(C)nn(C)c3C)C2)c2cnn(C)c2n1 |r| Show InChI InChI=1S/C27H36N8O4S/c1-17-22(18(2)33(3)31-17)15-35-9-7-8-19(14-35)16-39-25-11-23(30-26-21(25)13-29-34(26)4)20-10-24(32-40(6,36)37)27(38-5)28-12-20/h10-13,19,32H,7-9,14-16H2,1-6H3/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf21 cells using PIP2 as...				Bioorg Med Chem 26: 3917-3924 (2018) Article DOI: 10.1016/j.bmc.2018.06.012 BindingDB Entry DOI: 10.7270/Q2ZP48RW
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Mus musculus (Mouse))	BDBM50462594 (CHEMBL4249087) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(C2)C(=O)C2CCOCC2)c2cnn(C)c2n1 |r| Show InChI InChI=1S/C26H34N6O6S/c1-31-24-20(14-28-31)23(12-21(29-24)19-11-22(30-39(3,34)35)25(36-2)27-13-19)38-16-17-5-4-8-32(15-17)26(33)18-6-9-37-10-7-18/h11-14,17-18,30H,4-10,15-16H2,1-3H3/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in Balb/c mouse splenocytes-derived B cells assessed as reduction in anti-IgM antibody-stimulated B cell proliferation after ...				Bioorg Med Chem 26: 3917-3924 (2018) Article DOI: 10.1016/j.bmc.2018.06.012 BindingDB Entry DOI: 10.7270/Q2ZP48RW
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Mus musculus (Mouse))	BDBM50462589 (CHEMBL4247328) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(CC3(C)COC3)C2)c2cnn(C)c2n1 |r| Show InChI InChI=1S/C25H34N6O5S/c1-25(15-35-16-25)14-31-7-5-6-17(12-31)13-36-22-9-20(28-23-19(22)11-27-30(23)2)18-8-21(29-37(4,32)33)24(34-3)26-10-18/h8-11,17,29H,5-7,12-16H2,1-4H3/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in Balb/c mouse splenocytes-derived B cells assessed as reduction in anti-IgM antibody-stimulated B cell proliferation after ...				Bioorg Med Chem 26: 3917-3924 (2018) Article DOI: 10.1016/j.bmc.2018.06.012 BindingDB Entry DOI: 10.7270/Q2ZP48RW
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Mus musculus (Mouse))	BDBM50462588 (CHEMBL4248505) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(Cc3c(C)nn(C)c3C)C2)c2cnn(C)c2n1 |r| Show InChI InChI=1S/C27H36N8O4S/c1-17-22(18(2)33(3)31-17)15-35-9-7-8-19(14-35)16-39-25-11-23(30-26-21(25)13-29-34(26)4)20-10-24(32-40(6,36)37)27(38-5)28-12-20/h10-13,19,32H,7-9,14-16H2,1-6H3/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in Balb/c mouse splenocytes-derived B cells assessed as reduction in anti-IgM antibody-stimulated B cell proliferation after ...				Bioorg Med Chem 26: 3917-3924 (2018) Article DOI: 10.1016/j.bmc.2018.06.012 BindingDB Entry DOI: 10.7270/Q2ZP48RW
					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))	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))	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
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50462589 (CHEMBL4247328) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(CC3(C)COC3)C2)c2cnn(C)c2n1 |r| Show InChI InChI=1S/C25H34N6O5S/c1-25(15-35-16-25)14-31-7-5-6-17(12-31)13-36-22-9-20(28-23-19(22)11-27-30(23)2)18-8-21(29-37(4,32)33)24(34-3)26-10-18/h8-11,17,29H,5-7,12-16H2,1-4H3/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf21 cells using PIP2 as...				Bioorg Med Chem 26: 3917-3924 (2018) Article DOI: 10.1016/j.bmc.2018.06.012 BindingDB Entry DOI: 10.7270/Q2ZP48RW
					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))	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))	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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Mus musculus (Mouse))	BDBM50461379 (CHEMBL4227156) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(O[C@@H]2CCN(Cc3c(C)nn(C)c3C)C2)c2cnn(C)c2n1 |r| Show InChI InChI=1S/C25H32N8O4S/c1-15-20(16(2)31(3)29-15)14-33-8-7-18(13-33)37-23-10-21(28-24-19(23)12-27-32(24)4)17-9-22(30-38(6,34)35)25(36-5)26-11-17/h9-12,18,30H,7-8,13-14H2,1-6H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in Balb/c mouse splenocytes-derived B cells assessed as reduction in anti-IgM antibody-stimulated B cell proliferation after ...				Bioorg Med Chem 26: 3917-3924 (2018) Article DOI: 10.1016/j.bmc.2018.06.012 BindingDB Entry DOI: 10.7270/Q2ZP48RW
					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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Mus musculus (Mouse))	BDBM50461373 (CHEMBL4228899) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(O[C@@H]2CCN(C2)C(=O)C2CCOCC2)c2cnn(C)c2n1 |r| Show InChI InChI=1S/C24H30N6O6S/c1-29-22-18(13-26-29)21(36-17-4-7-30(14-17)24(31)15-5-8-35-9-6-15)11-19(27-22)16-10-20(28-37(3,32)33)23(34-2)25-12-16/h10-13,15,17,28H,4-9,14H2,1-3H3/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in Balb/c mouse splenocytes-derived B cells assessed as reduction in anti-IgM antibody-stimulated B cell proliferation after ...				Bioorg Med Chem 26: 3917-3924 (2018) Article DOI: 10.1016/j.bmc.2018.06.012 BindingDB Entry DOI: 10.7270/Q2ZP48RW
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Mus musculus (Mouse))	BDBM50462595 (CHEMBL4250966) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(C2)C(=O)CC2CCOC2)c2cnn(C)c2n1 |r| Show InChI InChI=1S/C26H34N6O6S/c1-31-25-20(13-28-31)23(11-21(29-25)19-10-22(30-39(3,34)35)26(36-2)27-12-19)38-16-18-5-4-7-32(14-18)24(33)9-17-6-8-37-15-17/h10-13,17-18,30H,4-9,14-16H2,1-3H3/t17?,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in Balb/c mouse splenocytes-derived B cells assessed as reduction in anti-IgM antibody-stimulated B cell proliferation after ...				Bioorg Med Chem 26: 3917-3924 (2018) Article DOI: 10.1016/j.bmc.2018.06.012 BindingDB Entry DOI: 10.7270/Q2ZP48RW
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50462593 (CHEMBL4246031) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(Cc3cn(C)nc3C)C2)c2cnn(C)c2n1 |r| Show InChI InChI=1S/C26H34N8O4S/c1-17-20(14-32(2)30-17)15-34-8-6-7-18(13-34)16-38-24-10-22(29-25-21(24)12-28-33(25)3)19-9-23(31-39(5,35)36)26(37-4)27-11-19/h9-12,14,18,31H,6-8,13,15-16H2,1-5H3/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf21 cells using PIP2 as...				Bioorg Med Chem 26: 3917-3924 (2018) Article DOI: 10.1016/j.bmc.2018.06.012 BindingDB Entry DOI: 10.7270/Q2ZP48RW
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50461383 (CHEMBL4229164) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(NC(=O)c2coc(CN3CCN(CCN4CCOCC4)CC3)n2)c2cnn(C)c2n1 Show InChI InChI=1S/C29H38N10O6S/c1-36-27-21(17-31-36)23(15-22(33-27)20-14-24(35-46(3,41)42)29(43-2)30-16-20)34-28(40)25-19-45-26(32-25)18-39-8-6-37(7-9-39)4-5-38-10-12-44-13-11-38/h14-17,19,35H,4-13,18H2,1-3H3,(H,33,34,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/untagged recombinant full length human p85alpha expressed in baculo...				Bioorg Med Chem 26: 2410-2419 (2018) Article DOI: 10.1016/j.bmc.2018.03.042 BindingDB Entry DOI: 10.7270/Q2PN988P
					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
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50462594 (CHEMBL4249087) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(C2)C(=O)C2CCOCC2)c2cnn(C)c2n1 |r| Show InChI InChI=1S/C26H34N6O6S/c1-31-24-20(14-28-31)23(12-21(29-24)19-11-22(30-39(3,34)35)25(36-2)27-13-19)38-16-17-5-4-8-32(15-17)26(33)18-6-9-37-10-7-18/h11-14,17-18,30H,4-10,15-16H2,1-3H3/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf21 cells using PIP2 as...				Bioorg Med Chem 26: 3917-3924 (2018) Article DOI: 10.1016/j.bmc.2018.06.012 BindingDB Entry DOI: 10.7270/Q2ZP48RW
					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
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Mus musculus (Mouse))	BDBM50462590 (CHEMBL4244862) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(C2)C(=O)C2CCN(CC2)C(C)=O)c2cnn(C)c2n1 |r| Show InChI InChI=1S/C28H37N7O6S/c1-18(36)34-10-7-20(8-11-34)28(37)35-9-5-6-19(16-35)17-41-25-13-23(31-26-22(25)15-30-33(26)2)21-12-24(32-42(4,38)39)27(40-3)29-14-21/h12-15,19-20,32H,5-11,16-17H2,1-4H3/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in Balb/c mouse splenocytes-derived B cells assessed as reduction in anti-IgM antibody-stimulated B cell proliferation after ...				Bioorg Med Chem 26: 3917-3924 (2018) Article DOI: 10.1016/j.bmc.2018.06.012 BindingDB Entry DOI: 10.7270/Q2ZP48RW
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50461379 (CHEMBL4227156) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(O[C@@H]2CCN(Cc3c(C)nn(C)c3C)C2)c2cnn(C)c2n1 |r| Show InChI InChI=1S/C25H32N8O4S/c1-15-20(16(2)31(3)29-15)14-33-8-7-18(13-33)37-23-10-21(28-24-19(23)12-27-32(24)4)17-9-22(30-38(6,34)35)25(36-5)26-11-17/h9-12,18,30H,7-8,13-14H2,1-6H3/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/untagged recombinant full length human p85alpha expressed in baculo...				Bioorg Med Chem 26: 2410-2419 (2018) Article DOI: 10.1016/j.bmc.2018.03.042 BindingDB Entry DOI: 10.7270/Q2PN988P
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50461378 (CHEMBL4229226) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(O[C@@H]2CCN(Cc3ccccc3)C2)c2cnn(C)c2n1 |r| Show InChI InChI=1S/C25H28N6O4S/c1-30-24-20(14-27-30)23(35-19-9-10-31(16-19)15-17-7-5-4-6-8-17)12-21(28-24)18-11-22(29-36(3,32)33)25(34-2)26-13-18/h4-8,11-14,19,29H,9-10,15-16H2,1-3H3/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/untagged recombinant full length human p85alpha expressed in baculo...				Bioorg Med Chem 26: 2410-2419 (2018) Article DOI: 10.1016/j.bmc.2018.03.042 BindingDB Entry DOI: 10.7270/Q2PN988P
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50462590 (CHEMBL4244862) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(C2)C(=O)C2CCN(CC2)C(C)=O)c2cnn(C)c2n1 |r| Show InChI InChI=1S/C28H37N7O6S/c1-18(36)34-10-7-20(8-11-34)28(37)35-9-5-6-19(16-35)17-41-25-13-23(31-26-22(25)15-30-33(26)2)21-12-24(32-42(4,38)39)27(40-3)29-14-21/h12-15,19-20,32H,5-11,16-17H2,1-4H3/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf21 cells using PIP2 as...				Bioorg Med Chem 26: 3917-3924 (2018) Article DOI: 10.1016/j.bmc.2018.06.012 BindingDB Entry DOI: 10.7270/Q2ZP48RW
					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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Mus musculus (Mouse))	BDBM50462593 (CHEMBL4246031) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(Cc3cn(C)nc3C)C2)c2cnn(C)c2n1 |r| Show InChI InChI=1S/C26H34N8O4S/c1-17-20(14-32(2)30-17)15-34-8-6-7-18(13-34)16-38-24-10-22(29-25-21(24)12-28-33(25)3)19-9-23(31-39(5,35)36)26(37-4)27-11-19/h9-12,14,18,31H,6-8,13,15-16H2,1-5H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in Balb/c mouse splenocytes-derived B cells assessed as reduction in anti-IgM antibody-stimulated B cell proliferation after ...				Bioorg Med Chem 26: 3917-3924 (2018) Article DOI: 10.1016/j.bmc.2018.06.012 BindingDB Entry DOI: 10.7270/Q2ZP48RW
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50462595 (CHEMBL4250966) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(C2)C(=O)CC2CCOC2)c2cnn(C)c2n1 |r| Show InChI InChI=1S/C26H34N6O6S/c1-31-25-20(13-28-31)23(11-21(29-25)19-10-22(30-39(3,34)35)26(36-2)27-12-19)38-16-18-5-4-7-32(14-18)24(33)9-17-6-8-37-15-17/h10-13,17-18,30H,4-9,14-16H2,1-3H3/t17?,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf21 cells using PIP2 as...				Bioorg Med Chem 26: 3917-3924 (2018) Article DOI: 10.1016/j.bmc.2018.06.012 BindingDB Entry DOI: 10.7270/Q2ZP48RW
					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
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50461373 (CHEMBL4228899) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(O[C@@H]2CCN(C2)C(=O)C2CCOCC2)c2cnn(C)c2n1 |r| Show InChI InChI=1S/C24H30N6O6S/c1-29-22-18(13-26-29)21(36-17-4-7-30(14-17)24(31)15-5-8-35-9-6-15)11-19(27-22)16-10-20(28-37(3,32)33)23(34-2)25-12-16/h10-13,15,17,28H,4-9,14H2,1-3H3/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/untagged recombinant full length human p85alpha expressed in baculo...				Bioorg Med Chem 26: 2410-2419 (2018) Article DOI: 10.1016/j.bmc.2018.03.042 BindingDB Entry DOI: 10.7270/Q2PN988P
					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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50517785 (CHEMBL4453747) Show SMILES COc1ncc(cc1C)N1CCc2ncnc(-c3ccnc(NC4CCN(C)CC4)c3)c2C1 Show InChI InChI=1S/C25H31N7O/c1-17-12-20(14-27-25(17)33-3)32-11-7-22-21(15-32)24(29-16-28-22)18-4-8-26-23(13-18)30-19-5-9-31(2)10-6-19/h4,8,12-14,16,19H,5-7,9-11,15H2,1-3H3,(H,26,30)	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	7	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human PI3Kdelta using PIP2 as substrate after 35 to 40 mins by HTRF assay				Bioorg Med Chem 27: 1056-1064 (2019) Article DOI: 10.1016/j.bmc.2019.02.001 BindingDB Entry DOI: 10.7270/Q20868PX
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50462599 (CHEMBL4245863) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@@H]2CCCN(C2)C(=O)c2cccnn2)c2cnn(C)c2n1 |r| Show InChI InChI=1S/C25H28N8O5S/c1-32-23-18(13-28-32)22(11-20(29-23)17-10-21(31-39(3,35)36)24(37-2)26-12-17)38-15-16-6-5-9-33(14-16)25(34)19-7-4-8-27-30-19/h4,7-8,10-13,16,31H,5-6,9,14-15H2,1-3H3/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal His6-tagged PI3K p110delta/p85alpha expressed in baculovirus infected Sf21 cells using PIP2 as...				Bioorg Med Chem 26: 3917-3924 (2018) Article DOI: 10.1016/j.bmc.2018.06.012 BindingDB Entry DOI: 10.7270/Q2ZP48RW
					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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Mus musculus (Mouse))	BDBM50462598 (CHEMBL4245438) Show SMILES COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@H]2CCCN(C2)C(=O)C2CCOCC2)c2cnn(C)c2n1 |r| Show InChI InChI=1S/C26H34N6O6S/c1-31-24-20(14-28-31)23(12-21(29-24)19-11-22(30-39(3,34)35)25(36-2)27-13-19)38-16-17-5-4-8-32(15-17)26(33)18-6-9-37-10-7-18/h11-14,17-18,30H,4-10,15-16H2,1-3H3/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta in Balb/c mouse splenocytes-derived B cells assessed as reduction in anti-IgM antibody-stimulated B cell proliferation after ...				Bioorg Med Chem 26: 3917-3924 (2018) Article DOI: 10.1016/j.bmc.2018.06.012 BindingDB Entry DOI: 10.7270/Q2ZP48RW
					More data for this Ligand-Target Pair

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