Compile Data Set for Download or QSAR

Found 424 hits with Last Name = 'guthy' and Initial = 'da'   

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
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM92862 (US9284315, BEZ-235 | mTOR Inhibitor, BEZ235) Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00267 BindingDB Entry DOI: 10.7270/Q28P64KJ
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM608937 (1-(6-{(4M)-4-(5-Chloro-6- methyl-1H-indazol-4-yl)-...) Show SMILES COCCn1cc2cc(ccc2n1)-c1nn(C2CC3(C2)CN(C3)C(=O)C=C)c(C)c1-c1c(Cl)c(C)cc2[nH]ncc12 |(9.82,-.8,;9.42,-2.28,;7.94,-2.68,;6.85,-1.59,;5.36,-1.99,;4.21,-.96,;2.88,-1.73,;1.42,-1.26,;.27,-2.29,;.59,-3.79,;2.06,-4.27,;3.2,-3.24,;4.73,-3.4,;-1.19,-1.81,;-1.67,-.35,;-3.21,-.35,;-3.98,.99,;-5.47,1.39,;-5.07,2.87,;-3.58,2.48,;-6.55,3.27,;-6.16,4.76,;-4.67,4.36,;-7.25,5.85,;-6.85,7.34,;-8.73,5.45,;-9.82,6.54,;-3.68,-1.81,;-5.15,-2.29,;-2.44,-2.72,;-2.44,-4.26,;-3.77,-5.03,;-5.11,-4.26,;-3.77,-6.57,;-5.11,-7.34,;-2.44,-7.34,;-1.1,-6.57,;.36,-7.04,;1.27,-5.8,;.36,-4.55,;-1.1,-5.03,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50112819 (CHEMBL3609522) Show SMILES CC(C)(C)c1ncc2CCc3nc(NC(=O)N4CCC[C@H]4C(N)=O)sc3-c2n1 |r| Show InChI InChI=1S/C19H24N6O2S/c1-19(2,3)16-21-9-10-6-7-11-14(13(10)23-16)28-17(22-11)24-18(27)25-8-4-5-12(25)15(20)26/h9,12H,4-8H2,1-3H3,(H2,20,26)(H,22,24,27)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol as substrate preincubated for 15 mins followed by ATP addition measured after 1 h...				Bioorg Med Chem Lett 25: 3575-81 (2015) Article DOI: 10.1016/j.bmcl.2015.06.067 BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50112822 (CHEMBL3609525) Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3cnc(nc3-c2s1)C(C)(C)C |r| Show InChI InChI=1S/C20H26N6O2S/c1-10-7-8-26(14(10)16(21)27)19(28)25-18-23-12-6-5-11-9-22-17(20(2,3)4)24-13(11)15(12)29-18/h9-10,14H,5-8H2,1-4H3,(H2,21,27)(H,23,25,28)/t10-,14+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of N-terminal myristoylated human PI3Kalpha expressed in Rat1 cells assessed as inhibition of Akt phosphorylatuion at Ser473 by ELISA				Bioorg Med Chem Lett 25: 3575-81 (2015) Article DOI: 10.1016/j.bmcl.2015.06.067 BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50112823 (CHEMBL3609526) Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3cnc(nc3-c2s1)C(C)(C)C(F)(F)F |r| Show InChI InChI=1S/C20H23F3N6O2S/c1-9-6-7-29(13(9)15(24)30)18(31)28-17-26-11-5-4-10-8-25-16(19(2,3)20(21,22)23)27-12(10)14(11)32-17/h8-9,13H,4-7H2,1-3H3,(H2,24,30)(H,26,28,31)/t9-,13+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of N-terminal myristoylated human PI3Kalpha expressed in Rat1 cells assessed as inhibition of Akt phosphorylatuion at Ser473 by ELISA				Bioorg Med Chem Lett 25: 3575-81 (2015) Article DOI: 10.1016/j.bmcl.2015.06.067 BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50112820 (CHEMBL3609523) Show SMILES CC(C)(C)c1ncc2CCc3nc(NC(=O)N4CCC[C@@]4(C)C(N)=O)sc3-c2n1 |r| Show InChI InChI=1S/C20H26N6O2S/c1-19(2,3)16-22-10-11-6-7-12-14(13(11)24-16)29-17(23-12)25-18(28)26-9-5-8-20(26,4)15(21)27/h10H,5-9H2,1-4H3,(H2,21,27)(H,23,25,28)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of N-terminal myristoylated human PI3Kalpha expressed in Rat1 cells assessed as inhibition of Akt phosphorylatuion at Ser473 by ELISA				Bioorg Med Chem Lett 25: 3575-81 (2015) Article DOI: 10.1016/j.bmcl.2015.06.067 BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50112826 (CHEMBL3609529) Show SMILES CN(C)[C@@H]1C[C@H](N(C1)C(=O)Nc1nc2CCc3cnc(nc3-c2s1)C(C)(C)C)C(N)=O |r| Show InChI InChI=1S/C21H29N7O2S/c1-21(2,3)18-23-9-11-6-7-13-16(15(11)25-18)31-19(24-13)26-20(30)28-10-12(27(4)5)8-14(28)17(22)29/h9,12,14H,6-8,10H2,1-5H3,(H2,22,29)(H,24,26,30)/t12-,14+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol as substrate preincubated for 15 mins followed by ATP addition measured after 1 h...				Bioorg Med Chem Lett 25: 3575-81 (2015) Article DOI: 10.1016/j.bmcl.2015.06.067 BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50436459 (CHEMBL2396661) Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F |r| Show InChI InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin)				Bioorg Med Chem Lett 25: 3569-74 (2015) Article DOI: 10.1016/j.bmcl.2015.06.078 BindingDB Entry DOI: 10.7270/Q2W098XH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50112817 (CHEMBL3609520) Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C(F)(F)F |r| Show InChI InChI=1S/C19H22F3N5O2S2/c1-8-6-7-27(12(8)14(23)28)17(29)26-16-24-9-4-5-10-11(13(9)31-16)25-15(30-10)18(2,3)19(20,21)22/h8,12H,4-7H2,1-3H3,(H2,23,28)(H,24,26,29)/t8-,12+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of N-terminal myristoylated human PI3Kalpha expressed in Rat1 cells assessed as inhibition of Akt phosphorylatuion at Ser473 by ELISA				Bioorg Med Chem Lett 25: 3575-81 (2015) Article DOI: 10.1016/j.bmcl.2015.06.067 BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50112820 (CHEMBL3609523) Show SMILES CC(C)(C)c1ncc2CCc3nc(NC(=O)N4CCC[C@@]4(C)C(N)=O)sc3-c2n1 |r| Show InChI InChI=1S/C20H26N6O2S/c1-19(2,3)16-22-10-11-6-7-12-14(13(11)24-16)29-17(23-12)25-18(28)26-9-5-8-20(26,4)15(21)27/h10H,5-9H2,1-4H3,(H2,21,27)(H,23,25,28)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol as substrate preincubated for 15 mins followed by ATP addition measured after 1 h...				Bioorg Med Chem Lett 25: 3575-81 (2015) Article DOI: 10.1016/j.bmcl.2015.06.067 BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50112823 (CHEMBL3609526) Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3cnc(nc3-c2s1)C(C)(C)C(F)(F)F |r| Show InChI InChI=1S/C20H23F3N6O2S/c1-9-6-7-29(13(9)15(24)30)18(31)28-17-26-11-5-4-10-8-25-16(19(2,3)20(21,22)23)27-12(10)14(11)32-17/h8-9,13H,4-7H2,1-3H3,(H2,24,30)(H,26,28,31)/t9-,13+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol as substrate preincubated for 15 mins followed by ATP addition measured after 1 h...				Bioorg Med Chem Lett 25: 3575-81 (2015) Article DOI: 10.1016/j.bmcl.2015.06.067 BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50112822 (CHEMBL3609525) Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3cnc(nc3-c2s1)C(C)(C)C |r| Show InChI InChI=1S/C20H26N6O2S/c1-10-7-8-26(14(10)16(21)27)19(28)25-18-23-12-6-5-11-9-22-17(20(2,3)4)24-13(11)15(12)29-18/h9-10,14H,5-8H2,1-4H3,(H2,21,27)(H,23,25,28)/t10-,14+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using PI or PIP2:PS as substrate by TR-FRET assay				Bioorg Med Chem Lett 25: 3575-81 (2015) Article DOI: 10.1016/j.bmcl.2015.06.067 BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50113952 (CHEMBL3605177) Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2COc3cnc(cc3-c2s1)C(C)(C)C(F)(F)F |r| Show InChI InChI=1S/C20H22F3N5O3S/c1-9-4-5-28(14(9)16(24)29)18(30)27-17-26-11-8-31-12-7-25-13(6-10(12)15(11)32-17)19(2,3)20(21,22)23/h6-7,9,14H,4-5,8H2,1-3H3,(H2,24,29)(H,26,27,30)/t9-,14+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of P110alpha (unknown origin) by Kinase-Glo assay				Bioorg Med Chem Lett 25: 3582-4 (2015) Article DOI: 10.1016/j.bmcl.2015.06.077 BindingDB Entry DOI: 10.7270/Q2G73GJG
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50112824 (CHEMBL3609527) Show SMILES CN(C)C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3cnc(nc3-c2s1)C(C)(C)C |r| Show InChI InChI=1S/C22H31N7O2S/c1-22(2,3)19-24-10-12-6-7-14-17(15(12)26-19)32-20(25-14)27-21(31)29-9-8-13(11-28(4)5)16(29)18(23)30/h10,13,16H,6-9,11H2,1-5H3,(H2,23,30)(H,25,27,31)/t13-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol as substrate preincubated for 15 mins followed by ATP addition measured after 1 h...				Bioorg Med Chem Lett 25: 3575-81 (2015) Article DOI: 10.1016/j.bmcl.2015.06.067 BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50436459 (CHEMBL2396661) Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F |r| Show InChI InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of P110alpha (unknown origin) by Kinase-Glo assay				Bioorg Med Chem Lett 25: 3582-4 (2015) Article DOI: 10.1016/j.bmcl.2015.06.077 BindingDB Entry DOI: 10.7270/Q2G73GJG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Rattus norvegicus (Rat))	BDBM92862 (US9284315, BEZ-235 | mTOR Inhibitor, BEZ235) Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00267 BindingDB Entry DOI: 10.7270/Q28P64KJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50112821 (CHEMBL3609524) Show SMILES [H][C@@]12C[C@@]1(N(CC2)C(=O)Nc1nc2CCc3cnc(nc3-c2s1)C(C)(C)C)C(N)=O |r| Show InChI InChI=1S/C20H24N6O2S/c1-19(2,3)16-22-9-10-4-5-12-14(13(10)24-16)29-17(23-12)25-18(28)26-7-6-11-8-20(11,26)15(21)27/h9,11H,4-8H2,1-3H3,(H2,21,27)(H,23,25,28)/t11-,20+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol as substrate preincubated for 15 mins followed by ATP addition measured after 1 h...				Bioorg Med Chem Lett 25: 3575-81 (2015) Article DOI: 10.1016/j.bmcl.2015.06.067 BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50112819 (CHEMBL3609522) Show SMILES CC(C)(C)c1ncc2CCc3nc(NC(=O)N4CCC[C@H]4C(N)=O)sc3-c2n1 |r| Show InChI InChI=1S/C19H24N6O2S/c1-19(2,3)16-21-9-10-6-7-11-14(13(10)23-16)28-17(22-11)24-18(27)25-8-4-5-12(25)15(20)26/h9,12H,4-8H2,1-3H3,(H2,20,26)(H,22,24,27)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of N-terminal myristoylated human PI3Kalpha expressed in Rat1 cells assessed as inhibition of Akt phosphorylatuion at Ser473 by ELISA				Bioorg Med Chem Lett 25: 3575-81 (2015) Article DOI: 10.1016/j.bmcl.2015.06.067 BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50112822 (CHEMBL3609525) Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3cnc(nc3-c2s1)C(C)(C)C |r| Show InChI InChI=1S/C20H26N6O2S/c1-10-7-8-26(14(10)16(21)27)19(28)25-18-23-12-6-5-11-9-22-17(20(2,3)4)24-13(11)15(12)29-18/h9-10,14H,5-8H2,1-4H3,(H2,21,27)(H,23,25,28)/t10-,14+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol as substrate preincubated for 15 mins followed by ATP addition measured after 1 h...				Bioorg Med Chem Lett 25: 3575-81 (2015) Article DOI: 10.1016/j.bmcl.2015.06.067 BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50436448 (CHEMBL2397186) Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C(C)(C)C |r| Show InChI InChI=1S/C18H24N6O2S/c1-10-13(11-7-8-20-15(22-11)18(2,3)4)27-16(21-10)23-17(26)24-9-5-6-12(24)14(19)25/h7-8,12H,5-6,9H2,1-4H3,(H2,19,25)(H,21,23,26)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol as substrate preincubated for 15 mins followed by ATP addition measured after 1 h...				Bioorg Med Chem Lett 25: 3575-81 (2015) Article DOI: 10.1016/j.bmcl.2015.06.067 BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50436448 (CHEMBL2397186) Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(n1)C(C)(C)C |r| Show InChI InChI=1S/C18H24N6O2S/c1-10-13(11-7-8-20-15(22-11)18(2,3)4)27-16(21-10)23-17(26)24-9-5-6-12(24)14(19)25/h7-8,12H,5-6,9H2,1-4H3,(H2,19,25)(H,21,23,26)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin)				Bioorg Med Chem Lett 25: 3569-74 (2015) Article DOI: 10.1016/j.bmcl.2015.06.078 BindingDB Entry DOI: 10.7270/Q2W098XH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50112829 (CHEMBL3609516) Show SMILES CC(C)(C)c1nc-2c(CCc3nc(NC(=O)N4CCC[C@@]4(C)C(N)=O)sc-23)s1 |r| Show InChI InChI=1S/C19H25N5O2S2/c1-18(2,3)15-22-12-11(27-15)7-6-10-13(12)28-16(21-10)23-17(26)24-9-5-8-19(24,4)14(20)25/h5-9H2,1-4H3,(H2,20,25)(H,21,23,26)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol as substrate preincubated for 15 mins followed by ATP addition measured after 1 h...				Bioorg Med Chem Lett 25: 3575-81 (2015) Article DOI: 10.1016/j.bmcl.2015.06.067 BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50609524 (CHEMBL5281254) Show SMILES COCCn1ncc2cc(ccc12)-c1nn(C2CC3(C2)CN(C3)C(=O)C=C)c(C)c1-c1c(Cl)c(C)cc2[nH]ncc12 |(6.51,-8.61,;5.19,-9.32,;3.92,-8.53,;2.6,-9.24,;1.33,-8.44,;-.1,-9.02,;-1.09,-7.85,;-.28,-6.54,;-.71,-5.06,;.35,-3.95,;1.85,-4.31,;2.28,-5.79,;1.22,-6.91,;.03,-2.44,;1.07,-1.29,;.29,.05,;.92,1.46,;2.28,2.07,;1.62,3.49,;.22,2.79,;3.03,4.13,;2.4,5.53,;.99,4.9,;2.94,6.97,;4.17,7.17,;1.97,8.17,;2.4,9.32,;-1.21,-.28,;-2.14,.54,;-1.35,-1.8,;-2.7,-2.58,;-2.7,-4.12,;-1.62,-4.74,;-4.03,-4.89,;-4.03,-6.12,;-5.37,-4.12,;-5.37,-2.58,;-6.51,-1.54,;-5.88,-.13,;-4.35,-.29,;-4.03,-1.8,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50598037 (CHEMBL5203121) Show SMILES C[C@H]1OC(=O)N([C@H]1CO)c1nc(cc(n1)-c1cnc(N)nc1C(F)(F)F)N1CCOCC1 |r| Show InChI	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	8.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00267 BindingDB Entry DOI: 10.7270/Q28P64KJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50598037 (CHEMBL5203121) Show SMILES C[C@H]1OC(=O)N([C@H]1CO)c1nc(cc(n1)-c1cnc(N)nc1C(F)(F)F)N1CCOCC1 |r| Show InChI	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	8.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00267 BindingDB Entry DOI: 10.7270/Q28P64KJ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM92862 (US9284315, BEZ-235 | mTOR Inhibitor, BEZ235) Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00267 BindingDB Entry DOI: 10.7270/Q28P64KJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50112830 (CHEMBL3609517) Show SMILES [H][C@@]12C[C@@]1(N(CC2)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C)C(N)=O |r| Show InChI InChI=1S/C19H23N5O2S2/c1-18(2,3)15-22-12-11(27-15)5-4-10-13(12)28-16(21-10)23-17(26)24-7-6-9-8-19(9,24)14(20)25/h9H,4-8H2,1-3H3,(H2,20,25)(H,21,23,26)/t9-,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol as substrate preincubated for 15 mins followed by ATP addition measured after 1 h...				Bioorg Med Chem Lett 25: 3575-81 (2015) Article DOI: 10.1016/j.bmcl.2015.06.067 BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50112817 (CHEMBL3609520) Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C(F)(F)F |r| Show InChI InChI=1S/C19H22F3N5O2S2/c1-8-6-7-27(12(8)14(23)28)17(29)26-16-24-9-4-5-10-11(13(9)31-16)25-15(30-10)18(2,3)19(20,21)22/h8,12H,4-7H2,1-3H3,(H2,23,28)(H,24,26,29)/t8-,12+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol as substrate preincubated for 15 mins followed by ATP addition measured after 1 h...				Bioorg Med Chem Lett 25: 3575-81 (2015) Article DOI: 10.1016/j.bmcl.2015.06.067 BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Rattus norvegicus (Rat))	BDBM92862 (US9284315, BEZ-235 | mTOR Inhibitor, BEZ235) Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00267 BindingDB Entry DOI: 10.7270/Q28P64KJ
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50609523 (CHEMBL5271997) Show SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc2nn(CCN3CCOCC3)cc2c1)-c1c(Cl)c(C)cc2[nH]ncc12 |(-1.82,5.46,;-1.41,4.3,;-2.27,3.04,;-1.37,1.81,;.09,2.31,;.06,3.85,;1.29,4.77,;2.79,4.65,;2.9,6.21,;1.34,6.28,;4.43,6.08,;4.56,7.61,;3.03,7.74,;5.73,8.61,;6.89,8.19,;5.46,10.12,;6.4,10.92,;-1.83,.34,;-3.29,-.12,;-3.64,-1.62,;-2.51,-2.66,;-2.53,-4.2,;-1.07,-4.7,;-.61,-6.17,;.89,-6.51,;1.35,-7.98,;2.85,-8.32,;3.31,-9.79,;2.26,-10.92,;.76,-10.58,;.3,-9.11,;-.15,-3.47,;-1.04,-2.21,;-.69,-.71,;-3.81,3.01,;-4.56,1.67,;-3.93,.61,;-6.1,1.65,;-6.7,.57,;-6.89,2.97,;-6.14,4.31,;-6.64,5.77,;-5.41,6.69,;-4.15,5.81,;-4.6,4.34,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50112831 (CHEMBL3609518) Show SMILES C[C@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C |r| Show InChI InChI=1S/C19H25N5O2S2/c1-9-7-8-24(13(9)15(20)25)18(26)23-17-21-10-5-6-11-12(14(10)28-17)22-16(27-11)19(2,3)4/h9,13H,5-8H2,1-4H3,(H2,20,25)(H,21,23,26)/t9-,13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of N-terminal myristoylated human PI3Kalpha expressed in Rat1 cells assessed as inhibition of Akt phosphorylatuion at Ser473 by ELISA				Bioorg Med Chem Lett 25: 3575-81 (2015) Article DOI: 10.1016/j.bmcl.2015.06.067 BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50112816 (CHEMBL3609519) Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C |r| Show InChI InChI=1S/C19H25N5O2S2/c1-9-7-8-24(13(9)15(20)25)18(26)23-17-21-10-5-6-11-12(14(10)28-17)22-16(27-11)19(2,3)4/h9,13H,5-8H2,1-4H3,(H2,20,25)(H,21,23,26)/t9-,13+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of N-terminal myristoylated human PI3Kalpha expressed in Rat1 cells assessed as inhibition of Akt phosphorylatuion at Ser473 by ELISA				Bioorg Med Chem Lett 25: 3575-81 (2015) Article DOI: 10.1016/j.bmcl.2015.06.067 BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50112818 (CHEMBL3609521) Show SMILES CN(C)C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C |r| Show InChI InChI=1S/C21H30N6O2S2/c1-21(2,3)18-24-14-13(30-18)7-6-12-16(14)31-19(23-12)25-20(29)27-9-8-11(10-26(4)5)15(27)17(22)28/h11,15H,6-10H2,1-5H3,(H2,22,28)(H,23,25,29)/t11-,15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol as substrate preincubated for 15 mins followed by ATP addition measured after 1 h...				Bioorg Med Chem Lett 25: 3575-81 (2015) Article DOI: 10.1016/j.bmcl.2015.06.067 BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50112816 (CHEMBL3609519) Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C |r| Show InChI InChI=1S/C19H25N5O2S2/c1-9-7-8-24(13(9)15(20)25)18(26)23-17-21-10-5-6-11-12(14(10)28-17)22-16(27-11)19(2,3)4/h9,13H,5-8H2,1-4H3,(H2,20,25)(H,21,23,26)/t9-,13+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol as substrate preincubated for 15 mins followed by ATP addition measured after 1 h...				Bioorg Med Chem Lett 25: 3575-81 (2015) Article DOI: 10.1016/j.bmcl.2015.06.067 BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50113952 (CHEMBL3605177) Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2COc3cnc(cc3-c2s1)C(C)(C)C(F)(F)F |r| Show InChI InChI=1S/C20H22F3N5O3S/c1-9-4-5-28(14(9)16(24)29)18(30)27-17-26-11-8-31-12-7-25-13(6-10(12)15(11)32-17)19(2,3)20(21,22)23/h6-7,9,14H,4-5,8H2,1-3H3,(H2,24,29)(H,26,27,30)/t9-,14+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of myristoylated human P110alpha expressed in Rat1 cells assessed as inhibition of Akt phosphorylation at Serine 473 by Western blot analy...				Bioorg Med Chem Lett 25: 3582-4 (2015) Article DOI: 10.1016/j.bmcl.2015.06.077 BindingDB Entry DOI: 10.7270/Q2G73GJG
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50112830 (CHEMBL3609517) Show SMILES [H][C@@]12C[C@@]1(N(CC2)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C)C(N)=O |r| Show InChI InChI=1S/C19H23N5O2S2/c1-18(2,3)15-22-12-11(27-15)5-4-10-13(12)28-16(21-10)23-17(26)24-7-6-9-8-19(9,24)14(20)25/h9H,4-8H2,1-3H3,(H2,20,25)(H,21,23,26)/t9-,19+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of N-terminal myristoylated human PI3Kalpha expressed in Rat1 cells assessed as inhibition of Akt phosphorylatuion at Ser473 by ELISA				Bioorg Med Chem Lett 25: 3575-81 (2015) Article DOI: 10.1016/j.bmcl.2015.06.067 BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50598037 (CHEMBL5203121) Show SMILES C[C@H]1OC(=O)N([C@H]1CO)c1nc(cc(n1)-c1cnc(N)nc1C(F)(F)F)N1CCOCC1 |r| Show InChI	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	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00267 BindingDB Entry DOI: 10.7270/Q28P64KJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50112821 (CHEMBL3609524) Show SMILES [H][C@@]12C[C@@]1(N(CC2)C(=O)Nc1nc2CCc3cnc(nc3-c2s1)C(C)(C)C)C(N)=O |r| Show InChI InChI=1S/C20H24N6O2S/c1-19(2,3)16-22-9-10-4-5-12-14(13(10)24-16)29-17(23-12)25-18(28)26-7-6-11-8-20(11,26)15(21)27/h9,11H,4-8H2,1-3H3,(H2,21,27)(H,23,25,28)/t11-,20+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of N-terminal myristoylated human PI3Kalpha expressed in Rat1 cells assessed as inhibition of Akt phosphorylatuion at Ser473 by ELISA				Bioorg Med Chem Lett 25: 3575-81 (2015) Article DOI: 10.1016/j.bmcl.2015.06.067 BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50112827 (CHEMBL3609514) Show SMILES CC(C)(C)c1nc-2c(CCc3nc(NC(=O)N4CCC[C@H]4C(N)=O)sc-23)s1 |r| Show InChI InChI=1S/C18H23N5O2S2/c1-18(2,3)15-21-12-11(26-15)7-6-9-13(12)27-16(20-9)22-17(25)23-8-4-5-10(23)14(19)24/h10H,4-8H2,1-3H3,(H2,19,24)(H,20,22,25)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol as substrate preincubated for 15 mins followed by ATP addition measured after 1 h...				Bioorg Med Chem Lett 25: 3575-81 (2015) Article DOI: 10.1016/j.bmcl.2015.06.067 BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50112831 (CHEMBL3609518) Show SMILES C[C@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3sc(nc3-c2s1)C(C)(C)C |r| Show InChI InChI=1S/C19H25N5O2S2/c1-9-7-8-24(13(9)15(20)25)18(26)23-17-21-10-5-6-11-12(14(10)28-17)22-16(27-11)19(2,3)4/h9,13H,5-8H2,1-4H3,(H2,20,25)(H,21,23,26)/t9-,13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol as substrate preincubated for 15 mins followed by ATP addition measured after 1 h...				Bioorg Med Chem Lett 25: 3575-81 (2015) Article DOI: 10.1016/j.bmcl.2015.06.067 BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50112825 (CHEMBL3609528) Show SMILES CN(C)C[C@]1(CCCN1C(=O)Nc1nc2CCc3cnc(nc3-c2s1)C(C)(C)C)C(N)=O |r| Show InChI InChI=1S/C22H31N7O2S/c1-21(2,3)18-24-11-13-7-8-14-16(15(13)26-18)32-19(25-14)27-20(31)29-10-6-9-22(29,17(23)30)12-28(4)5/h11H,6-10,12H2,1-5H3,(H2,23,30)(H,25,27,31)/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol as substrate preincubated for 15 mins followed by ATP addition measured after 1 h...				Bioorg Med Chem Lett 25: 3575-81 (2015) Article DOI: 10.1016/j.bmcl.2015.06.067 BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50498563 (CHEMBL3609540) Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(n1)C1(C)CC1 |r| Show InChI InChI=1S/C17H21N5O2S2/c1-9-12(10-8-25-14(20-10)17(2)5-6-17)26-15(19-9)21-16(24)22-7-3-4-11(22)13(18)23/h8,11H,3-7H2,1-2H3,(H2,18,23)(H,19,21,24)/t11-/m0/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	14	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin)				Bioorg Med Chem Lett 25: 3569-74 (2015) Article DOI: 10.1016/j.bmcl.2015.06.078 BindingDB Entry DOI: 10.7270/Q2W098XH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50498545 (CHEMBL3608927) Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc(C)c(s1)-c1csc(n1)C1(CC1)C(F)(F)F |r| Show InChI InChI=1S/C18H20F3N5O2S2/c1-8-3-6-26(11(8)13(22)27)16(28)25-15-23-9(2)12(30-15)10-7-29-14(24-10)17(4-5-17)18(19,20)21/h7-8,11H,3-6H2,1-2H3,(H2,22,27)(H,23,25,28)/t8-,11+/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	14	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin)				Bioorg Med Chem Lett 25: 3569-74 (2015) Article DOI: 10.1016/j.bmcl.2015.06.078 BindingDB Entry DOI: 10.7270/Q2W098XH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50042922 (CHEMBL3218581) Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(n1)C(C)(C)C |r| Show InChI InChI=1S/C17H23N5O2S2/c1-9-12(10-8-25-14(20-10)17(2,3)4)26-15(19-9)21-16(24)22-7-5-6-11(22)13(18)23/h8,11H,5-7H2,1-4H3,(H2,18,23)(H,19,21,24)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using phosphatidylinositol as substrate preincubated for 15 mins followed by ATP addition measured after 1 h...				Bioorg Med Chem Lett 25: 3575-81 (2015) Article DOI: 10.1016/j.bmcl.2015.06.067 BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50042922 (CHEMBL3218581) Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(n1)C(C)(C)C |r| Show InChI InChI=1S/C17H23N5O2S2/c1-9-12(10-8-25-14(20-10)17(2,3)4)26-15(19-9)21-16(24)22-7-5-6-11(22)13(18)23/h8,11H,5-7H2,1-4H3,(H2,18,23)(H,19,21,24)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin)				Bioorg Med Chem Lett 25: 3569-74 (2015) Article DOI: 10.1016/j.bmcl.2015.06.078 BindingDB Entry DOI: 10.7270/Q2W098XH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50112824 (CHEMBL3609527) Show SMILES CN(C)C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3cnc(nc3-c2s1)C(C)(C)C |r| Show InChI InChI=1S/C22H31N7O2S/c1-22(2,3)19-24-10-12-6-7-14-17(15(12)26-19)32-20(25-14)27-21(31)29-9-8-13(11-28(4)5)16(29)18(23)30/h10,13,16H,6-9,11H2,1-5H3,(H2,23,30)(H,25,27,31)/t13-,16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of N-terminal myristoylated human PI3Kalpha expressed in Rat1 cells assessed as inhibition of Akt phosphorylatuion at Ser473 by ELISA				Bioorg Med Chem Lett 25: 3575-81 (2015) Article DOI: 10.1016/j.bmcl.2015.06.067 BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50112823 (CHEMBL3609526) Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc2CCc3cnc(nc3-c2s1)C(C)(C)C(F)(F)F |r| Show InChI InChI=1S/C20H23F3N6O2S/c1-9-6-7-29(13(9)15(24)30)18(31)28-17-26-11-5-4-10-8-25-16(19(2,3)20(21,22)23)27-12(10)14(11)32-17/h8-9,13H,4-7H2,1-3H3,(H2,24,30)(H,26,28,31)/t9-,13+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using PI or PIP2:PS as substrate by TR-FRET assay				Bioorg Med Chem Lett 25: 3575-81 (2015) Article DOI: 10.1016/j.bmcl.2015.06.067 BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50112819 (CHEMBL3609522) Show SMILES CC(C)(C)c1ncc2CCc3nc(NC(=O)N4CCC[C@H]4C(N)=O)sc3-c2n1 |r| Show InChI InChI=1S/C19H24N6O2S/c1-19(2,3)16-21-9-10-6-7-11-14(13(10)23-16)28-17(22-11)24-18(27)25-8-4-5-12(25)15(20)26/h9,12H,4-8H2,1-3H3,(H2,20,26)(H,22,24,27)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using PI or PIP2:PS as substrate by TR-FRET assay				Bioorg Med Chem Lett 25: 3575-81 (2015) Article DOI: 10.1016/j.bmcl.2015.06.067 BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50112827 (CHEMBL3609514) Show SMILES CC(C)(C)c1nc-2c(CCc3nc(NC(=O)N4CCC[C@H]4C(N)=O)sc-23)s1 |r| Show InChI InChI=1S/C18H23N5O2S2/c1-18(2,3)15-21-12-11(26-15)7-6-9-13(12)27-16(20-9)22-17(25)23-8-4-5-10(23)14(19)24/h10H,4-8H2,1-3H3,(H2,19,24)(H,20,22,25)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of N-terminal myristoylated human PI3Kalpha expressed in Rat1 cells assessed as inhibition of Akt phosphorylatuion at Ser473 by ELISA				Bioorg Med Chem Lett 25: 3575-81 (2015) Article DOI: 10.1016/j.bmcl.2015.06.067 BindingDB Entry DOI: 10.7270/Q2DF6SZ5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50113951 (CHEMBL3605178) Show SMILES C[C@@H]1CCN([C@@H]1C(N)=O)C(=O)Nc1nc(C)c(s1)-c1ccnc(c1)C(C)(C)C(F)(F)F |r| Show InChI InChI=1S/C20H24F3N5O2S/c1-10-6-8-28(14(10)16(24)29)18(30)27-17-26-11(2)15(31-17)12-5-7-25-13(9-12)19(3,4)20(21,22)23/h5,7,9-10,14H,6,8H2,1-4H3,(H2,24,29)(H,26,27,30)/t10-,14+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of myristoylated human P110alpha expressed in Rat1 cells assessed as inhibition of Akt phosphorylation at Serine 473 by Western blot analy...				Bioorg Med Chem Lett 25: 3582-4 (2015) Article DOI: 10.1016/j.bmcl.2015.06.077 BindingDB Entry DOI: 10.7270/Q2G73GJG
					More data for this Ligand-Target Pair

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