Compile Data Set for Download or QSAR

Found 1462 hits of ki data for polymerid = 1622   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50149477 (CHEMBL3770993 | US10851091, U.S. Pat. No. 8,242,10...) Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C21H25N7O2/c1-13(2)28-21(23-12-24-28)16-11-26-8-9-30-18-10-14(5-6-15(18)20(26)25-16)27-7-3-4-17(27)19(22)29/h5-6,10-13,17H,3-4,7-9H2,1-2H3,(H2,22,29)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The biochemical inhibition of four PI3K isoforms by the Formula I compounds of Table 1. In addition, two clinically tested PI3K compounds, taselisib ...				US Patent US10851091 (2020) BindingDB Entry DOI: 10.7270/Q2WS8X9V
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM273010 ((S)-2-((1-(2- aminothiazolo[5,4- b]pyridin-5-yl)- ...) Show SMILES COC[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2nc(N)sc2n1)C(N)=O |r| Show InChI InChI=1S/C21H22N6O4S/c1-29-10-16(18(22)28)31-11-8-14-17-15(9-11)30-7-3-2-6-27(17)19(24-14)12-4-5-13-20(25-12)32-21(23)26-13/h4-5,8-9,16H,2-3,6-7,10H2,1H3,(H2,22,28)(H2,23,26)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272909 ((S)-2-((1-(2- aminobenzo[d]thiazol- 6-yl)-7,8,9,10...) Show SMILES NC(=O)[C@@H](Nc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2nc(N)sc2c1)C1CC1 |r| Show InChI InChI=1S/C23H24N6O2S/c24-21(30)19(12-3-4-12)26-14-10-16-20-17(11-14)31-8-2-1-7-29(20)22(27-16)13-5-6-15-18(9-13)32-23(25)28-15/h5-6,9-12,19,26H,1-4,7-8H2,(H2,24,30)(H2,25,28)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM295675 (US10851091, U.S. Pat. No. 8,242,104 No. 469 | US82...) Show SMILES NC(=O)[C@@H]1CCCN1c1ccc2-c3nc(cn3CCOc2c1)-c1ncnn1CC(F)(F)F |r| Show InChI InChI=1S/C20H20F3N7O2/c21-20(22,23)10-30-19(25-11-26-30)14-9-28-6-7-32-16-8-12(3-4-13(16)18(28)27-14)29-5-1-2-15(29)17(24)31/h3-4,8-9,11,15H,1-2,5-7,10H2,(H2,24,31)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The biochemical inhibition of four PI3K isoforms by the Formula I compounds of Table 1. In addition, two clinically tested PI3K compounds, taselisib ...				US Patent US10851091 (2020) BindingDB Entry DOI: 10.7270/Q2WS8X9V
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272903 ((S)-2-((2-(2- aminobenzo[d]oxazol- 5-yl)-3,4-dihyd...) Show SMILES NC(=O)[C@@H](Nc1cc2OCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1)C1CC1 |r| Show InChI InChI=1S/C21H20N6O3/c22-19(28)17(10-1-2-10)24-12-8-14-18-16(9-12)29-6-5-27(18)20(25-14)11-3-4-15-13(7-11)26-21(23)30-15/h3-4,7-10,17,24H,1-2,5-6H2,(H2,22,28)(H2,23,26)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272899 ((S)-2-((1-(2- aminobenzo[d]oxazol- 5-yl)-7,8,9,10-...) Show SMILES C\C=C(\O[C@@H](C)C(N)=O)/C=c1/nc(-c2ccc3oc(N)nc3c2)n2CCCCO/C=c/1\2 |r,t:31| Show InChI InChI=1S/C22H25N5O4/c1-3-15(30-13(2)20(23)28)11-16-18-12-29-9-5-4-8-27(18)21(25-16)14-6-7-19-17(10-14)26-22(24)31-19/h3,6-7,10-13H,4-5,8-9H2,1-2H3,(H2,23,28)(H2,24,26)/b15-3+,16-11+,18-12-/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272830 ((S)-2-((1-(2- aminobenzo[d]oxazol- 5-yl)-8,9-dihyd...) Show SMILES NC(=O)[C@@H](Nc1cc2OCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1)C1CC1 |r| Show InChI InChI=1S/C22H22N6O3/c23-20(29)18(11-2-3-11)25-13-9-15-19-17(10-13)30-7-1-6-28(19)21(26-15)12-4-5-16-14(8-12)27-22(24)31-16/h4-5,8-11,18,25H,1-3,6-7H2,(H2,23,29)(H2,24,27)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM273002 ((S)-2-((1-(5-fluoro-6- (1H-1,2,4-triazol-5- yl)pyr...) Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1cnc(-c2ncn[nH]2)c(F)c1)C(N)=O |r| Show InChI InChI=1S/C21H20FN7O3/c1-11(19(23)30)32-13-7-15-18-16(8-13)31-5-3-2-4-29(18)21(27-15)12-6-14(22)17(24-9-12)20-25-10-26-28-20/h6-11H,2-5H2,1H3,(H2,23,30)(H,25,26,28)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM273000 ((S)-2-cyclopropyl-2- ((1-(3-fluoro-4-(1H- 1,2,4-tr...) Show SMILES NC(=O)[C@@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc(-c2ncn[nH]2)c(F)c1)C1CC1 |r| Show InChI InChI=1S/C24H23FN6O3/c25-17-9-14(5-6-16(17)23-27-12-28-30-23)24-29-18-10-15(34-21(22(26)32)13-3-4-13)11-19-20(18)31(24)7-1-2-8-33-19/h5-6,9-13,21H,1-4,7-8H2,(H2,26,32)(H,27,28,30)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272991 ((S)-2-((1-(5-(1H-1,2,4- triazol-5-yl)pyridin-2- yl...) Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc(cn1)-c1ncn[nH]1)C(N)=O |r| Show InChI InChI=1S/C21H21N7O3/c1-12(19(22)29)31-14-8-16-18-17(9-14)30-7-3-2-6-28(18)21(26-16)15-5-4-13(10-23-15)20-24-11-25-27-20/h4-5,8-12H,2-3,6-7H2,1H3,(H2,22,29)(H,24,25,27)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272989 ((2R,3S)-1-(1-(2- aminobenzo[d]oxazol- 5-yl)-7,8,9,...) Show SMILES NC(=O)[C@@H]1[C@@H](F)CCN1c1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1 |r| Show InChI InChI=1S/C23H23FN6O3/c24-14-5-7-29(19(14)21(25)31)13-10-16-20-18(11-13)32-8-2-1-6-30(20)22(27-16)12-3-4-17-15(9-12)28-23(26)33-17/h3-4,9-11,14,19H,1-2,5-8H2,(H2,25,31)(H2,26,28)/t14-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272936 ((S)-2-((1-(2-amino-4- fluorobenzo[d]oxazol- 5-yl)-...) Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1F)C(N)=O |r| Show InChI InChI=1S/C21H20FN5O4/c1-10(19(23)28)30-11-8-13-18-15(9-11)29-7-3-2-6-27(18)20(25-13)12-4-5-14-17(16(12)22)26-21(24)31-14/h4-5,8-10H,2-3,6-7H2,1H3,(H2,23,28)(H2,24,26)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272937 ((S)-2-((1-(2-amino-4- fluorobenzo[d]thiazol- 6-yl)...) Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1cc(F)c2nc(N)sc2c1)C(N)=O |r| Show InChI InChI=1S/C21H20FN5O3S/c1-10(19(23)28)30-12-8-14-18-15(9-12)29-5-3-2-4-27(18)20(25-14)11-6-13(22)17-16(7-11)31-21(24)26-17/h6-10H,2-5H2,1H3,(H2,23,28)(H2,24,26)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272938 ((S)-2-((1-(4-(1H- 1,2,4-triazol-3- yl)phenyl)-7,8,...) Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc(cc1)-c1nc[nH]n1)C(N)=O |r| Show InChI InChI=1S/C22H22N6O3/c1-13(20(23)29)31-16-10-17-19-18(11-16)30-9-3-2-8-28(19)22(26-17)15-6-4-14(5-7-15)21-24-12-25-27-21/h4-7,10-13H,2-3,8-9H2,1H3,(H2,23,29)(H,24,25,27)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272939 ((S)-2-((1-(2- aminoquinoxalin-6- yl)-7,8,9,10- tet...) Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2nc(N)cnc2c1)C(N)=O |r| Show InChI InChI=1S/C22H22N6O3/c1-12(21(24)29)31-14-9-17-20-18(10-14)30-7-3-2-6-28(20)22(27-17)13-4-5-15-16(8-13)25-11-19(23)26-15/h4-5,8-12H,2-3,6-7H2,1H3,(H2,23,26)(H2,24,29)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272941 ((S)-2-((1-(2- Aminobenzo[d]thiazol- 5-yl)-7,8,9,10...) Show SMILES NC(=O)[C@@H](Nc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2sc(N)nc2c1)C1CC1 |r| Show InChI InChI=1S/C23H24N6O2S/c24-21(30)19(12-3-4-12)26-14-10-16-20-17(11-14)31-8-2-1-7-29(20)22(27-16)13-5-6-18-15(9-13)28-23(25)32-18/h5-6,9-12,19,26H,1-4,7-8H2,(H2,24,30)(H2,25,28)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272944 ((S)-2-((1-(2-amino-7- fluorobenzo[d]oxazol- 5-yl)-...) Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1cc(F)c2oc(N)nc2c1)C(N)=O |r| Show InChI InChI=1S/C21H20FN5O4/c1-10(19(23)28)30-12-8-14-17-16(9-12)29-5-3-2-4-27(17)20(25-14)11-6-13(22)18-15(7-11)26-21(24)31-18/h6-10H,2-5H2,1H3,(H2,23,28)(H2,24,26)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272945 ((S)-1-(1-(2- aminobenzo[d]oxazol- 5-yl)-7,8,9,10- ...) Show SMILES NC(=O)[C@@H]1CCCN1c1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1 |r| Show InChI InChI=1S/C23H24N6O3/c24-21(30)17-4-3-8-28(17)14-11-16-20-19(12-14)31-9-2-1-7-29(20)22(26-16)13-5-6-18-15(10-13)27-23(25)32-18/h5-6,10-12,17H,1-4,7-9H2,(H2,24,30)(H2,25,27)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272949 ((S)-2-((1-(2- aminobenzo[d]oxazol- 5-yl)-7,8,9,10-...) Show SMILES C[C@H](N(C)c1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1)C(N)=O |r| Show InChI InChI=1S/C22H24N6O3/c1-12(20(23)29)27(2)14-10-16-19-18(11-14)30-8-4-3-7-28(19)21(25-16)13-5-6-17-15(9-13)26-22(24)31-17/h5-6,9-12H,3-4,7-8H2,1-2H3,(H2,23,29)(H2,24,26)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272956 ((S)-2-((1-(2-amino-4,7- difluorobenzo[d]oxazol- 5-...) Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1cc(F)c2oc(N)nc2c1F)C(N)=O |r| Show InChI InChI=1S/C21H19F2N5O4/c1-9(19(24)29)31-10-6-13-17-14(7-10)30-5-3-2-4-28(17)20(26-13)11-8-12(22)18-16(15(11)23)27-21(25)32-18/h6-9H,2-5H2,1H3,(H2,24,29)(H2,25,27)/t9-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272959 ((S)-2-((1-(2-amino-7- fluorobenzo[d]oxazol- 5-yl)-...) Show SMILES C[C@H](N(C)c1cc2OCCCCn3c(nc(c1)c23)-c1cc(F)c2oc(N)nc2c1)C(N)=O |r| Show InChI InChI=1S/C22H23FN6O3/c1-11(20(24)30)28(2)13-9-15-18-17(10-13)31-6-4-3-5-29(18)21(26-15)12-7-14(23)19-16(8-12)27-22(25)32-19/h7-11H,3-6H2,1-2H3,(H2,24,30)(H2,25,27)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272960 ((S)-2-((1-(2- aminothiazolo[5,4- b]pyridin-5-yl)- ...) Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2nc(N)sc2n1)C(N)=O |r| Show InChI InChI=1S/C20H20N6O3S/c1-10(17(21)27)29-11-8-14-16-15(9-11)28-7-3-2-6-26(16)18(23-14)12-4-5-13-19(24-12)30-20(22)25-13/h4-5,8-10H,2-3,6-7H2,1H3,(H2,21,27)(H2,22,25)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272964 ((S)-2-((1-(3-fluoro-4- (1H-1,2,4-triazol-3- yl)phe...) Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc(-c2nc[nH]n2)c(F)c1)C(N)=O |r| Show InChI InChI=1S/C22H21FN6O3/c1-12(20(24)30)32-14-9-17-19-18(10-14)31-7-3-2-6-29(19)22(27-17)13-4-5-15(16(23)8-13)21-25-11-26-28-21/h4-5,8-12H,2-3,6-7H2,1H3,(H2,24,30)(H,25,26,28)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272966 ((S)-2-((1-(2- aminobenzo[d]oxazol- 5-yl)-7,8,9,10-...) Show SMILES CC[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1)C(N)=O |r| Show InChI InChI=1S/C22H23N5O4/c1-2-16(20(23)28)30-13-10-15-19-18(11-13)29-8-4-3-7-27(19)21(25-15)12-5-6-17-14(9-12)26-22(24)31-17/h5-6,9-11,16H,2-4,7-8H2,1H3,(H2,23,28)(H2,24,26)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272967 ((S)-2-((1-(2-amino-7- fluorobenzo[d]oxazol- 5-yl)-...) Show SMILES CC[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1cc(F)c2oc(N)nc2c1)C(N)=O |r| Show InChI InChI=1S/C22H22FN5O4/c1-2-16(20(24)29)31-12-9-14-18-17(10-12)30-6-4-3-5-28(18)21(26-14)11-7-13(23)19-15(8-11)27-22(25)32-19/h7-10,16H,2-6H2,1H3,(H2,24,29)(H2,25,27)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272975 ((S)-2-((1-(2-amino-4- fluorobenzo[d]thiazol- 6-yl)...) Show SMILES NC(=O)[C@@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1cc(F)c2nc(N)sc2c1)C1CC1 |r| Show InChI InChI=1S/C23H22FN5O3S/c24-14-7-12(8-17-18(14)28-23(26)33-17)22-27-15-9-13(32-20(21(25)30)11-3-4-11)10-16-19(15)29(22)5-1-2-6-31-16/h7-11,20H,1-6H2,(H2,25,30)(H2,26,28)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272979 ((S)-2-((1-(2- aminobenzo[d]oxazol- 5-yl)-7,8,9,10-...) Show SMILES NC(=O)[C@@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1)C1CC1 |r| Show InChI InChI=1S/C23H23N5O4/c24-21(29)20(12-3-4-12)31-14-10-16-19-18(11-14)30-8-2-1-7-28(19)22(26-16)13-5-6-17-15(9-13)27-23(25)32-17/h5-6,9-12,20H,1-4,7-8H2,(H2,24,29)(H2,25,27)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272984 ((S)-2-((1-(2-amino-7- fluorobenzo[d]oxazol- 5-yl)-...) Show SMILES NC(=O)[C@@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1cc(F)c2oc(N)nc2c1)C1CC1 |r| Show InChI InChI=1S/C23H22FN5O4/c24-14-7-12(8-16-20(14)33-23(26)28-16)22-27-15-9-13(32-19(21(25)30)11-3-4-11)10-17-18(15)29(22)5-1-2-6-31-17/h7-11,19H,1-6H2,(H2,25,30)(H2,26,28)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272963 ((S)-2-((1-(4-(1H-1,2,4- triazol-3-yl)phenyl)- 7,8,...) Show SMILES CC[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc(cc1)-c1nc[nH]n1)C(N)=O |r| Show InChI InChI=1S/C23H24N6O3/c1-2-18(21(24)30)32-16-11-17-20-19(12-16)31-10-4-3-9-29(20)23(27-17)15-7-5-14(6-8-15)22-25-13-26-28-22/h5-8,11-13,18H,2-4,9-10H2,1H3,(H2,24,30)(H,25,26,28)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272988 ((S)-2-((1-(2-fluoro-4- (1H-1,2,4-triazol-5- yl)phe...) Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc(cc1F)-c1ncn[nH]1)C(N)=O |r| Show InChI InChI=1S/C22H21FN6O3/c1-12(20(24)30)32-14-9-17-19-18(10-14)31-7-3-2-6-29(19)22(27-17)15-5-4-13(8-16(15)23)21-25-11-26-28-21/h4-5,8-12H,2-3,6-7H2,1H3,(H2,24,30)(H,25,26,28)/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM295679 (US10851091, U.S. Pat. No. 8,242,104 No. 529 | US82...) Show SMILES C[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)-c1ncnn1CC(F)(F)F)C(N)=O |r| Show InChI InChI=1S/C18H18F3N7O2/c1-10(15(22)29)25-11-2-3-12-14(6-11)30-5-4-27-7-13(26-16(12)27)17-23-9-24-28(17)8-18(19,20)21/h2-3,6-7,9-10,25H,4-5,8H2,1H3,(H2,22,29)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The biochemical inhibition of four PI3K isoforms by the Formula I compounds of Table 1. In addition, two clinically tested PI3K compounds, taselisib ...				US Patent US10851091 (2020) BindingDB Entry DOI: 10.7270/Q2WS8X9V
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272942 ((S)-1-(1-(2- aminobenzo[d]oxazol- 5-yl)-3-fluoro-7...) Show SMILES Nc1nc2cc(ccc2o1)-c1nc2c(F)c(cc3OCCCCn1c23)N1CCC[C@H]1C(F)=O |r| Show InChI InChI=1S/C23H21F2N5O3/c24-18-15(29-8-3-4-14(29)21(25)31)11-17-20-19(18)28-22(30(20)7-1-2-9-32-17)12-5-6-16-13(10-12)27-23(26)33-16/h5-6,10-11,14H,1-4,7-9H2,(H2,26,27)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272987 ((S)-2-((1-(3- aminobenzo[e][1,2,4]tri- azin-7-yl)-...) Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2nc(N)nnc2c1)C(N)=O |r| Show InChI InChI=1S/C21H21N7O3/c1-11(19(22)29)31-13-9-16-18-17(10-13)30-7-3-2-6-28(18)20(24-16)12-4-5-14-15(8-12)26-27-21(23)25-14/h4-5,8-11H,2-3,6-7H2,1H3,(H2,22,29)(H2,23,25,27)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272889 ((S)-1-(1-(2- aminobenzo[d]oxazol- 5-yl)-3-fluoro-8...) Show SMILES NC(=O)[C@@H]1CCCN1c1cc2OCCCn3c(nc(c1F)c23)-c1ccc2oc(N)nc2c1 |r| Show InChI InChI=1S/C22H21FN6O3/c23-17-14(28-6-1-3-13(28)20(24)30)10-16-19-18(17)27-21(29(19)7-2-8-31-16)11-4-5-15-12(9-11)26-22(25)32-15/h4-5,9-10,13H,1-3,6-8H2,(H2,24,30)(H2,25,26)/t13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50602306 (CHEMBL5208487) Show SMILES CC(C)n1nc(N)nc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCC[C@H]1C(N)=O |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	0.0260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272976 ((S)-2-((1-(2- aminobenzo[d]thiazol- 6-yl)-7,8,9,10...) Show SMILES NC(=O)[C@@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2nc(N)sc2c1)C1CC1 |r| Show InChI InChI=1S/C23H23N5O3S/c24-21(29)20(12-3-4-12)31-14-10-16-19-17(11-14)30-8-2-1-7-28(19)22(26-16)13-5-6-15-18(9-13)32-23(25)27-15/h5-6,9-12,20H,1-4,7-8H2,(H2,24,29)(H2,25,27)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272965 ((S)-2-((1-(2-amino-4- fluorobenzo[d]oxazol- 5-yl)-...) Show SMILES C[C@H](N(C)c1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1F)C(N)=O |r| Show InChI InChI=1S/C22H23FN6O3/c1-11(20(24)30)28(2)12-9-14-19-16(10-12)31-8-4-3-7-29(19)21(26-14)13-5-6-15-18(17(13)23)27-22(25)32-15/h5-6,9-11H,3-4,7-8H2,1-2H3,(H2,24,30)(H2,25,27)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272943 ((S)-2-((1-(2- aminobenzo[d]thiazol- 6-yl)-7,8,9,10...) Show SMILES C[C@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2nc(N)sc2c1)C(N)=O |r| Show InChI InChI=1S/C21H21N5O3S/c1-11(19(22)27)29-13-9-15-18-16(10-13)28-7-3-2-6-26(18)20(24-15)12-4-5-14-17(8-12)30-21(23)25-14/h4-5,8-11H,2-3,6-7H2,1H3,(H2,22,27)(H2,23,25)/t11-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50149477 (CHEMBL3770993 | US10851091, U.S. Pat. No. 8,242,10...) Show SMILES CC(C)n1ncnc1-c1cn2CCOc3cc(ccc3-c2n1)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C21H25N7O2/c1-13(2)28-21(23-12-24-28)16-11-26-8-9-30-18-10-14(5-6-15(18)20(26)25-16)27-7-3-4-17(27)19(22)29/h5-6,10-13,17H,3-4,7-9H2,1-2H3,(H2,22,29)/t17-/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	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by fluorescence polarization assay				J Med Chem 59: 985-1002 (2016) Article DOI: 10.1021/acs.jmedchem.5b01483 BindingDB Entry DOI: 10.7270/Q2QF8VRV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272996 ((S)-2-(4-(1-(2- aminooxazolo[4,5- b]pyridin-5-yl)-...) Show SMILES CC[C@@H](C(N)=O)n1cc(cn1)-c1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2n1 |r| Show InChI InChI=1S/C24H24N8O3/c1-2-17(21(25)33)32-12-14(11-27-32)13-9-16-20-19(10-13)34-8-4-3-7-31(20)23(29-16)15-5-6-18-22(28-15)30-24(26)35-18/h5-6,9-12,17H,2-4,7-8H2,1H3,(H2,25,33)(H2,26,28,30)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272940 ((R)-2-((1-(2- aminobenzo[d]oxazol- 5-yl)-7,8,9,10-...) Show SMILES C[C@@H](Oc1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1)C(N)=O |r| Show InChI InChI=1S/C21H21N5O4/c1-11(19(22)27)29-13-9-15-18-17(10-13)28-7-3-2-6-26(18)20(24-15)12-4-5-16-14(8-12)25-21(23)30-16/h4-5,8-11H,2-3,6-7H2,1H3,(H2,22,27)(H2,23,25)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272800 ((S)-2-((1-(2- aminobenzo[d]oxazol- 5-yl)-8,9-dihyd...) Show SMILES C[C@H](Nc1cc2OCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1)C(N)=O |r| Show InChI InChI=1S/C20H20N6O3/c1-10(18(21)27)23-12-8-14-17-16(9-12)28-6-2-5-26(17)19(24-14)11-3-4-15-13(7-11)25-20(22)29-15/h3-4,7-10,23H,2,5-6H2,1H3,(H2,21,27)(H2,22,25)/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM295665 ((S)-2-((2-((S)-4-(difluoromethyl)- 2-oxooxazolidin...) Show SMILES C[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F)C(N)=O |r| Show InChI InChI=1S/C18H19F2N5O4/c1-9(16(21)26)22-10-2-3-11-13(6-10)28-5-4-24-7-14(23-17(11)24)25-12(15(19)20)8-29-18(25)27/h2-3,6-7,9,12,15,22H,4-5,8H2,1H3,(H2,21,26)/t9-,12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	0.0340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The biochemical inhibition of four PI3K isoforms by the Formula I compounds of Table 1. In addition, two clinically tested PI3K compounds, taselisib ...				US Patent US10851091 (2020) BindingDB Entry DOI: 10.7270/Q2WS8X9V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM295665 ((S)-2-((2-((S)-4-(difluoromethyl)- 2-oxooxazolidin...) Show SMILES C[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@@H](COC1=O)C(F)F)C(N)=O |r| Show InChI InChI=1S/C18H19F2N5O4/c1-9(16(21)26)22-10-2-3-11-13(6-10)28-5-4-24-7-14(23-17(11)24)25-12(15(19)20)8-29-18(25)27/h2-3,6-7,9,12,15,22H,4-5,8H2,1H3,(H2,21,26)/t9-,12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.0340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01422 BindingDB Entry DOI: 10.7270/Q2S46X11
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272934 ((S)-1-(1-(2- aminobenzo[d]thiazol- 6-yl)-7,8,9,10-...) Show SMILES NC(=O)[C@@H]1CCCN1c1cc2OCCCCn3c(nc(c1)c23)-c1ccc2nc(N)sc2c1 |r| Show InChI InChI=1S/C23H24N6O2S/c24-21(30)17-4-3-8-28(17)14-11-16-20-18(12-14)31-9-2-1-7-29(20)22(26-16)13-5-6-15-19(10-13)32-23(25)27-15/h5-6,10-12,17H,1-4,7-9H2,(H2,24,30)(H2,25,27)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272996 ((S)-2-(4-(1-(2- aminooxazolo[4,5- b]pyridin-5-yl)-...) Show SMILES CC[C@@H](C(N)=O)n1cc(cn1)-c1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2n1 |r| Show InChI InChI=1S/C24H24N8O3/c1-2-17(21(25)33)32-12-14(11-27-32)13-9-16-20-19(10-13)34-8-4-3-7-31(20)23(29-16)15-5-6-18-22(28-15)30-24(26)35-18/h5-6,9-12,17H,2-4,7-8H2,1H3,(H2,25,33)(H2,26,28,30)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM272997 ((R)-2-(4-(1-(2- aminooxazolo[4,5- b]pyridin-5-yl)-...) Show SMILES CC[C@H](C(N)=O)n1cc(cn1)-c1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2n1 |r| Show InChI InChI=1S/C24H24N8O3/c1-2-17(21(25)33)32-12-14(11-27-32)13-9-16-20-19(10-13)34-8-4-3-7-31(20)23(29-16)15-5-6-18-22(28-15)30-24(26)35-18/h5-6,9-12,17H,2-4,7-8H2,1H3,(H2,25,33)(H2,26,28,30)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM273003 ((2S,3S)-1-(1-(2- aminobenzo[d]oxazol- 5-yl)-8,9-di...) Show SMILES C[C@H]1CCN([C@@H]1C(N)=O)c1cc2OCCCCn3c(nc(c1)c23)-c1ccc2oc(N)nc2c1 |r| Show InChI InChI=1S/C24H26N6O3/c1-13-6-8-29(20(13)22(25)31)15-11-17-21-19(12-15)32-9-3-2-7-30(21)23(27-17)14-4-5-18-16(10-14)28-24(26)33-18/h4-5,10-13,20H,2-3,6-9H2,1H3,(H2,25,31)(H2,26,28)/t13-,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description PI3K Binding assays are intended for determining the biochemical potency of small molecule PI3K inhibitors. The PI3K lipid kinase reaction is perform...				US Patent US10065970 (2018) BindingDB Entry DOI: 10.7270/Q27P91FB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM295670 ((S)-2-((2-((S)-4-(fluoromethyl)-2- oxooxazolidin-3...) Show SMILES C[C@H](Nc1ccc2-c3nc(cn3CCOc2c1)N1[C@H](CF)COC1=O)C(N)=O |r| Show InChI InChI=1S/C18H20FN5O4/c1-10(16(20)25)21-11-2-3-13-14(6-11)27-5-4-23-8-15(22-17(13)23)24-12(7-19)9-28-18(24)26/h2-3,6,8,10,12,21H,4-5,7,9H2,1H3,(H2,20,25)/t10-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The biochemical inhibition of four PI3K isoforms by the Formula I compounds of Table 1. In addition, two clinically tested PI3K compounds, taselisib ...				US Patent US10851091 (2020) BindingDB Entry DOI: 10.7270/Q2WS8X9V
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50433530 (CHEMBL2381382) Show SMILES CC(C)n1nc(N)nc1-c1nc-2c(CCOc3cc(ccc-23)-c2cnn(CCO)c2)s1 Show InChI InChI=1S/C21H23N7O2S/c1-12(2)28-19(25-21(22)26-28)20-24-18-15-4-3-13(14-10-23-27(11-14)6-7-29)9-16(15)30-8-5-17(18)31-20/h3-4,9-12,29H,5-8H2,1-2H3,(H2,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of GST-fused human recombinant PI3Kalpha expressed in baculovirus infected SF9 cells after 1 hr by scintillation proximity assay in presen...				Bioorg Med Chem Lett 23: 2606-13 (2013) Article DOI: 10.1016/j.bmcl.2013.02.102 BindingDB Entry DOI: 10.7270/Q2W95BKF
					More data for this Ligand-Target Pair

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