Compile Data Set for Download or QSAR

Found 637 hits with Last Name = 'plewe' and Initial = 'm'   

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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Mus musculus (Mouse))	BDBM50387593 (CHEMBL2057726) Show SMILES Cc1nc(N)nc2n(C3CCCC3)c(=O)c(cc12)-c1cn[nH]c1 Show InChI InChI=1S/C16H18N6O/c1-9-12-6-13(10-7-18-19-8-10)15(23)22(11-4-2-3-5-11)14(12)21-16(17)20-9/h6-8,11H,2-5H2,1H3,(H,18,19)(H2,17,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	0.436	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mouse PI3Kalpha				Bioorg Med Chem Lett 22: 5098-103 (2012) Article DOI: 10.1016/j.bmcl.2012.05.100 BindingDB Entry DOI: 10.7270/Q2CF9R58
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Mus musculus (Mouse))	BDBM50387590 (CHEMBL2057725 | US8633204, 111) Show SMILES COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C19H21N5O2/c1-11-14-9-15(12-7-8-16(26-2)21-10-12)18(25)24(13-5-3-4-6-13)17(14)23-19(20)22-11/h7-10,13H,3-6H2,1-2H3,(H2,20,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mouse PI3Kalpha				Bioorg Med Chem Lett 22: 5098-103 (2012) Article DOI: 10.1016/j.bmcl.2012.05.100 BindingDB Entry DOI: 10.7270/Q2CF9R58
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Mus musculus (Mouse))	BDBM50387582 (CHEMBL2057736 | US8633204, 196) Show SMILES COc1ncc(cc1F)-c1cc2c(C)nc(N)nc2n(N2CCCC2)c1=O Show InChI InChI=1S/C18H19FN6O2/c1-10-12-8-13(11-7-14(19)16(27-2)21-9-11)17(26)25(24-5-3-4-6-24)15(12)23-18(20)22-10/h7-9H,3-6H2,1-2H3,(H2,20,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mouse PI3Kalpha				Bioorg Med Chem Lett 22: 5098-103 (2012) Article DOI: 10.1016/j.bmcl.2012.05.100 BindingDB Entry DOI: 10.7270/Q2CF9R58
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Mus musculus (Mouse))	BDBM50387589 (CHEMBL2057727 | US8633204, 206) Show SMILES COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n(C2CCC2)c1=O Show InChI InChI=1S/C18H19N5O2/c1-10-13-8-14(11-6-7-15(25-2)20-9-11)17(24)23(12-4-3-5-12)16(13)22-18(19)21-10/h6-9,12H,3-5H2,1-2H3,(H2,19,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mouse PI3Kalpha				Bioorg Med Chem Lett 22: 5098-103 (2012) Article DOI: 10.1016/j.bmcl.2012.05.100 BindingDB Entry DOI: 10.7270/Q2CF9R58
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Mus musculus (Mouse))	BDBM50387588 (CHEMBL2057728 | US8633204, 205) Show SMILES Cc1nc(N)nc2n(C3CCC3)c(=O)c(cc12)-c1cn[nH]c1 Show InChI InChI=1S/C15H16N6O/c1-8-11-5-12(9-6-17-18-7-9)14(22)21(10-3-2-4-10)13(11)20-15(16)19-8/h5-7,10H,2-4H2,1H3,(H,17,18)(H2,16,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mouse PI3Kalpha				Bioorg Med Chem Lett 22: 5098-103 (2012) Article DOI: 10.1016/j.bmcl.2012.05.100 BindingDB Entry DOI: 10.7270/Q2CF9R58
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Mus musculus (Mouse))	BDBM50387591 (CHEMBL2057735 | US8633204, 195) Show SMILES COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n(N2CCCC2)c1=O Show InChI InChI=1S/C18H20N6O2/c1-11-13-9-14(12-5-6-15(26-2)20-10-12)17(25)24(23-7-3-4-8-23)16(13)22-18(19)21-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H2,19,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mouse PI3Kalpha				Bioorg Med Chem Lett 22: 5098-103 (2012) Article DOI: 10.1016/j.bmcl.2012.05.100 BindingDB Entry DOI: 10.7270/Q2CF9R58
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50387583 (CHEMBL2057734) Show SMILES Cc1nc(N)nc2n(N3CCCC3)c(=O)c(cc12)-c1cn[nH]c1 Show InChI InChI=1S/C15H17N7O/c1-9-11-6-12(10-7-17-18-8-10)14(23)22(21-4-2-3-5-21)13(11)20-15(16)19-9/h6-8H,2-5H2,1H3,(H,17,18)(H2,16,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mTOR				Bioorg Med Chem Lett 22: 5098-103 (2012) Article DOI: 10.1016/j.bmcl.2012.05.100 BindingDB Entry DOI: 10.7270/Q2CF9R58
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Mus musculus (Mouse))	BDBM50387583 (CHEMBL2057734) Show SMILES Cc1nc(N)nc2n(N3CCCC3)c(=O)c(cc12)-c1cn[nH]c1 Show InChI InChI=1S/C15H17N7O/c1-9-11-6-12(10-7-17-18-8-10)14(23)22(21-4-2-3-5-21)13(11)20-15(16)19-9/h6-8H,2-5H2,1H3,(H,17,18)(H2,16,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mouse PI3Kalpha				Bioorg Med Chem Lett 22: 5098-103 (2012) Article DOI: 10.1016/j.bmcl.2012.05.100 BindingDB Entry DOI: 10.7270/Q2CF9R58
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Mus musculus (Mouse))	BDBM50387586 (CHEMBL2057731 | US8633204, 208) Show SMILES CC(C)n1c2nc(N)nc(C)c2cc(-c2cn[nH]c2)c1=O Show InChI InChI=1S/C14H16N6O/c1-7(2)20-12-10(8(3)18-14(15)19-12)4-11(13(20)21)9-5-16-17-6-9/h4-7H,1-3H3,(H,16,17)(H2,15,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mouse PI3Kalpha				Bioorg Med Chem Lett 22: 5098-103 (2012) Article DOI: 10.1016/j.bmcl.2012.05.100 BindingDB Entry DOI: 10.7270/Q2CF9R58
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50387593 (CHEMBL2057726) Show SMILES Cc1nc(N)nc2n(C3CCCC3)c(=O)c(cc12)-c1cn[nH]c1 Show InChI InChI=1S/C16H18N6O/c1-9-12-6-13(10-7-18-19-8-10)15(23)22(11-4-2-3-5-11)14(12)21-16(17)20-9/h6-8,11H,2-5H2,1H3,(H,18,19)(H2,17,20,21)	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	Article PubMed	18.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mTOR				Bioorg Med Chem Lett 22: 5098-103 (2012) Article DOI: 10.1016/j.bmcl.2012.05.100 BindingDB Entry DOI: 10.7270/Q2CF9R58
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50387586 (CHEMBL2057731 | US8633204, 208) Show SMILES CC(C)n1c2nc(N)nc(C)c2cc(-c2cn[nH]c2)c1=O Show InChI InChI=1S/C14H16N6O/c1-7(2)20-12-10(8(3)18-14(15)19-12)4-11(13(20)21)9-5-16-17-6-9/h4-7H,1-3H3,(H,16,17)(H2,15,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mTOR				Bioorg Med Chem Lett 22: 5098-103 (2012) Article DOI: 10.1016/j.bmcl.2012.05.100 BindingDB Entry DOI: 10.7270/Q2CF9R58
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Mus musculus (Mouse))	BDBM50387592 (CHEMBL2057729 | US8633204, 212) Show SMILES COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n(C2CC2)c1=O Show InChI InChI=1S/C17H17N5O2/c1-9-12-7-13(10-3-6-14(24-2)19-8-10)16(23)22(11-4-5-11)15(12)21-17(18)20-9/h3,6-8,11H,4-5H2,1-2H3,(H2,18,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mouse PI3Kalpha				Bioorg Med Chem Lett 22: 5098-103 (2012) Article DOI: 10.1016/j.bmcl.2012.05.100 BindingDB Entry DOI: 10.7270/Q2CF9R58
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Mus musculus (Mouse))	BDBM50387587 (CHEMBL2057730 | US8633204, 211) Show SMILES Cc1nc(N)nc2n(C3CC3)c(=O)c(cc12)-c1cn[nH]c1 Show InChI InChI=1S/C14H14N6O/c1-7-10-4-11(8-5-16-17-6-8)13(21)20(9-2-3-9)12(10)19-14(15)18-7/h4-6,9H,2-3H2,1H3,(H,16,17)(H2,15,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mouse PI3Kalpha				Bioorg Med Chem Lett 22: 5098-103 (2012) Article DOI: 10.1016/j.bmcl.2012.05.100 BindingDB Entry DOI: 10.7270/Q2CF9R58
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50387588 (CHEMBL2057728 | US8633204, 205) Show SMILES Cc1nc(N)nc2n(C3CCC3)c(=O)c(cc12)-c1cn[nH]c1 Show InChI InChI=1S/C15H16N6O/c1-8-11-5-12(9-6-17-18-7-9)14(22)21(10-3-2-4-10)13(11)20-15(16)19-8/h5-7,10H,2-4H2,1H3,(H,17,18)(H2,16,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mTOR				Bioorg Med Chem Lett 22: 5098-103 (2012) Article DOI: 10.1016/j.bmcl.2012.05.100 BindingDB Entry DOI: 10.7270/Q2CF9R58
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50387589 (CHEMBL2057727 | US8633204, 206) Show SMILES COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n(C2CCC2)c1=O Show InChI InChI=1S/C18H19N5O2/c1-10-13-8-14(11-6-7-15(25-2)20-9-11)17(24)23(12-4-3-5-12)16(13)22-18(19)21-10/h6-9,12H,3-5H2,1-2H3,(H2,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	76.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mTOR				Bioorg Med Chem Lett 22: 5098-103 (2012) Article DOI: 10.1016/j.bmcl.2012.05.100 BindingDB Entry DOI: 10.7270/Q2CF9R58
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50387584 (CHEMBL2057733) Show SMILES CC(C)CNn1c2nc(N)nc(C)c2cc(-c2cn[nH]c2)c1=O Show InChI InChI=1S/C15H19N7O/c1-8(2)5-19-22-13-11(9(3)20-15(16)21-13)4-12(14(22)23)10-6-17-18-7-10/h4,6-8,19H,5H2,1-3H3,(H,17,18)(H2,16,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mTOR				Bioorg Med Chem Lett 22: 5098-103 (2012) Article DOI: 10.1016/j.bmcl.2012.05.100 BindingDB Entry DOI: 10.7270/Q2CF9R58
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Mus musculus (Mouse))	BDBM50387585 (CHEMBL2057732) Show SMILES CCN(CC)n1c2nc(N)nc(C)c2cc(-c2cn[nH]c2)c1=O Show InChI InChI=1S/C15H19N7O/c1-4-21(5-2)22-13-11(9(3)19-15(16)20-13)6-12(14(22)23)10-7-17-18-8-10/h6-8H,4-5H2,1-3H3,(H,17,18)(H2,16,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mouse PI3Kalpha				Bioorg Med Chem Lett 22: 5098-103 (2012) Article DOI: 10.1016/j.bmcl.2012.05.100 BindingDB Entry DOI: 10.7270/Q2CF9R58
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50387590 (CHEMBL2057725 | US8633204, 111) Show SMILES COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C19H21N5O2/c1-11-14-9-15(12-7-8-16(26-2)21-10-12)18(25)24(13-5-3-4-6-13)17(14)23-19(20)22-11/h7-10,13H,3-6H2,1-2H3,(H2,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	142	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mTOR				Bioorg Med Chem Lett 22: 5098-103 (2012) Article DOI: 10.1016/j.bmcl.2012.05.100 BindingDB Entry DOI: 10.7270/Q2CF9R58
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50387587 (CHEMBL2057730 | US8633204, 211) Show SMILES Cc1nc(N)nc2n(C3CC3)c(=O)c(cc12)-c1cn[nH]c1 Show InChI InChI=1S/C14H14N6O/c1-7-10-4-11(8-5-16-17-6-8)13(21)20(9-2-3-9)12(10)19-14(15)18-7/h4-6,9H,2-3H2,1H3,(H,16,17)(H2,15,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mTOR				Bioorg Med Chem Lett 22: 5098-103 (2012) Article DOI: 10.1016/j.bmcl.2012.05.100 BindingDB Entry DOI: 10.7270/Q2CF9R58
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50387582 (CHEMBL2057736 | US8633204, 196) Show SMILES COc1ncc(cc1F)-c1cc2c(C)nc(N)nc2n(N2CCCC2)c1=O Show InChI InChI=1S/C18H19FN6O2/c1-10-12-8-13(11-7-14(19)16(27-2)21-9-11)17(26)25(24-5-3-4-6-24)15(12)23-18(20)22-10/h7-9H,3-6H2,1-2H3,(H2,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	272	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mTOR				Bioorg Med Chem Lett 22: 5098-103 (2012) Article DOI: 10.1016/j.bmcl.2012.05.100 BindingDB Entry DOI: 10.7270/Q2CF9R58
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50387585 (CHEMBL2057732) Show SMILES CCN(CC)n1c2nc(N)nc(C)c2cc(-c2cn[nH]c2)c1=O Show InChI InChI=1S/C15H19N7O/c1-4-21(5-2)22-13-11(9(3)19-15(16)20-13)6-12(14(22)23)10-7-17-18-8-10/h6-8H,4-5H2,1-3H3,(H,17,18)(H2,16,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	663	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human mTOR				Bioorg Med Chem Lett 22: 5098-103 (2012) Article DOI: 10.1016/j.bmcl.2012.05.100 BindingDB Entry DOI: 10.7270/Q2CF9R58
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Mus musculus (Mouse))	BDBM50387584 (CHEMBL2057733) Show SMILES CC(C)CNn1c2nc(N)nc(C)c2cc(-c2cn[nH]c2)c1=O Show InChI InChI=1S/C15H19N7O/c1-8(2)5-19-22-13-11(9(3)20-15(16)21-13)4-12(14(22)23)10-6-17-18-7-10/h4,6-8,19H,5H2,1-3H3,(H,17,18)(H2,16,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	827	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mouse PI3Kalpha				Bioorg Med Chem Lett 22: 5098-103 (2012) Article DOI: 10.1016/j.bmcl.2012.05.100 BindingDB Entry DOI: 10.7270/Q2CF9R58
					More data for this Ligand-Target Pair
Glucagon receptor (Rattus norvegicus)	BDBM50122102 (3-Cyano-4-hydroxy-benzoic acid [1-(2,3,5,6-tetrame...) Show SMILES Cc1cc(C)c(C)c(Cn2ccc3c(\C=N\NC(=O)c4ccc(O)c(c4)C#N)cccc23)c1C Show InChI InChI=1S/C28H26N4O2/c1-17-12-18(2)20(4)25(19(17)3)16-32-11-10-24-22(6-5-7-26(24)32)15-30-31-28(34)21-8-9-27(33)23(13-21)14-29/h5-13,15,33H,16H2,1-4H3,(H,31,34)/b30-15+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro binding affinity of the compound towards rat glucagon receptor				J Med Chem 45: 5755-75 (2002) BindingDB Entry DOI: 10.7270/Q26W99FD
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM113428 (US8633204, 127) Show SMILES Cc1nc(N)nc2n(C3CCCC3)c(=O)c(cc12)-c1cnc2[nH]ccc2c1 Show InChI InChI=1S/C20H20N6O/c1-11-15-9-16(13-8-12-6-7-22-17(12)23-10-13)19(27)26(14-4-2-3-5-14)18(15)25-20(21)24-11/h6-10,14H,2-5H2,1H3,(H,22,23)(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.480	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in...				US Patent US8633204 (2014) BindingDB Entry DOI: 10.7270/Q2Q81BQT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50433038 (CHEMBL2375957 | US8633204, 299) Show SMILES COc1ncc(cc1F)-c1cc2c(C)nc(N)nc2n([C@H]2CC[C@@H](CC2)OCC(N)=O)c1=O |r,wU:23.28,wD:20.21,(27.28,-44.28,;25.95,-43.51,;24.61,-44.28,;24.61,-45.82,;23.27,-46.58,;21.94,-45.81,;21.94,-44.27,;23.27,-43.5,;23.27,-41.96,;20.6,-46.56,;19.26,-45.78,;17.92,-46.56,;16.58,-45.8,;16.58,-44.26,;15.25,-46.57,;15.25,-48.11,;13.92,-48.88,;16.58,-48.88,;17.91,-48.12,;19.25,-48.89,;19.24,-50.43,;17.9,-51.19,;17.9,-52.72,;19.22,-53.51,;20.56,-52.74,;20.57,-51.2,;19.21,-55.04,;17.88,-55.81,;16.55,-55.03,;15.21,-55.79,;16.56,-53.49,;20.6,-48.12,;21.93,-48.89,)| Show InChI InChI=1S/C22H25FN6O4/c1-11-15-8-16(12-7-17(23)20(32-2)26-9-12)21(31)29(19(15)28-22(25)27-11)13-3-5-14(6-4-13)33-10-18(24)30/h7-9,13-14H,3-6,10H2,1-2H3,(H2,24,30)(H2,25,27,28)/t13-,14-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.686	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in...				US Patent US8633204 (2014) BindingDB Entry DOI: 10.7270/Q2Q81BQT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM113443 (US8633204, 146) Show SMILES CNc1nc(C)c2cc(-c3cccc(O)c3)c(=O)n(C3CCCC3)c2n1 Show InChI InChI=1S/C20H22N4O2/c1-12-16-11-17(13-6-5-9-15(25)10-13)19(26)24(14-7-3-4-8-14)18(16)23-20(21-2)22-12/h5-6,9-11,14,25H,3-4,7-8H2,1-2H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.731	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in...				US Patent US8633204 (2014) BindingDB Entry DOI: 10.7270/Q2Q81BQT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM113420 (US8633204, 115) Show SMILES CNc1nc(C)c2cc(-c3cnc4[nH]ccc4c3)c(=O)n(C3CCCC3)c2n1 Show InChI InChI=1S/C21H22N6O/c1-12-16-10-17(14-9-13-7-8-23-18(13)24-11-14)20(28)27(15-5-3-4-6-15)19(16)26-21(22-2)25-12/h7-11,15H,3-6H2,1-2H3,(H,23,24)(H,22,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.75	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in...				US Patent US8633204 (2014) BindingDB Entry DOI: 10.7270/Q2Q81BQT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM113542 (US8633204, 276) Show SMILES CCNc1nc(C)c2cc(-c3cnc(OC)c(F)c3)c(=O)n([C@H]3CC[C@H](O)CC3)c2n1 |r,wU:22.22,wD:25.26,(-7.96,.31,;-6.47,.7,;-5.38,-.39,;-4.05,.39,;-4.05,1.92,;-2.71,2.69,;-2.71,4.24,;-1.38,1.92,;-.05,2.69,;1.29,1.92,;2.62,2.69,;3.96,1.92,;5.29,2.69,;5.29,4.24,;6.62,5,;7.96,4.24,;3.96,5,;3.96,6.54,;2.62,4.24,;1.29,.39,;2.62,-.39,;-.05,-.39,;-.05,-1.92,;1.29,-2.69,;1.29,-4.24,;-.05,-5,;-.05,-6.54,;-1.38,-4.24,;-1.38,-2.69,;-1.38,.39,;-2.71,-.39,)| Show InChI InChI=1S/C22H26FN5O3/c1-4-24-22-26-12(2)16-10-17(13-9-18(23)20(31-3)25-11-13)21(30)28(19(16)27-22)14-5-7-15(29)8-6-14/h9-11,14-15,29H,4-8H2,1-3H3,(H,24,26,27)/t14-,15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.788	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in...				US Patent US8633204 (2014) BindingDB Entry DOI: 10.7270/Q2Q81BQT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM113434 (US8633204, 137) Show SMILES COc1cc(ccc1O)-c1cc2c(C)nc(N)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C20H22N4O3/c1-11-14-10-15(12-7-8-16(25)17(9-12)27-2)19(26)24(13-5-3-4-6-13)18(14)23-20(21)22-11/h7-10,13,25H,3-6H2,1-2H3,(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.989	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in...				US Patent US8633204 (2014) BindingDB Entry DOI: 10.7270/Q2Q81BQT
					More data for this Ligand-Target Pair
Glucagon receptor (Rattus norvegicus)	BDBM50110054 (3-Cyano-4-hydroxy-benzoic acid [1-[4-(4-isopropyl-...) Show SMILES COc1cc(\C=N\NC(=O)c2ccc(O)c(c2)C#N)cc(OC)c1OCc1ccc(cc1)C(C)C Show InChI InChI=1S/C27H27N3O5/c1-17(2)20-7-5-18(6-8-20)16-35-26-24(33-3)11-19(12-25(26)34-4)15-29-30-27(32)21-9-10-23(31)22(13-21)14-28/h5-13,15,17,31H,16H2,1-4H3,(H,30,32)/b29-15+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Compound was evaluated in vitro for its inhibitory activity against rat glucagon receptor using [127I]-labeled glucagon				Bioorg Med Chem Lett 12: 663-6 (2002) BindingDB Entry DOI: 10.7270/Q2J67G77
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM113441 (US8633204, 144) Show SMILES CCNc1nc(C)c2cc(-c3cccc(O)c3)c(=O)n(C3CCCC3)c2n1 Show InChI InChI=1S/C21H24N4O2/c1-3-22-21-23-13(2)17-12-18(14-7-6-10-16(26)11-14)20(27)25(19(17)24-21)15-8-4-5-9-15/h6-7,10-12,15,26H,3-5,8-9H2,1-2H3,(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.01	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in...				US Patent US8633204 (2014) BindingDB Entry DOI: 10.7270/Q2Q81BQT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM113437 (US8633204, 140) Show SMILES CNc1nc(C)c2cc(-c3ccc(OC)nc3)c(=O)n(C3CCCC3)c2n1 Show InChI InChI=1S/C20H23N5O2/c1-12-15-10-16(13-8-9-17(27-3)22-11-13)19(26)25(14-6-4-5-7-14)18(15)24-20(21-2)23-12/h8-11,14H,4-7H2,1-3H3,(H,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.03	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in...				US Patent US8633204 (2014) BindingDB Entry DOI: 10.7270/Q2Q81BQT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM113479 (US8633204, 191) Show SMILES COc1ncc(cc1F)-c1cc2c(C)nc(N)nc2n([C@H]2CC[C@H](O)CC2)c1=O |r,wU:20.21,wD:23.25,(6.67,5,;5.33,5.77,;4,5,;2.67,5.77,;1.33,5,;1.33,3.46,;2.67,2.69,;4,3.46,;5.33,2.69,;,2.69,;-1.33,3.46,;-2.67,2.69,;-4,3.46,;-4,5,;-5.33,2.69,;-5.33,1.15,;-6.67,.39,;-4,.39,;-2.67,1.15,;-1.33,.39,;-1.33,-1.15,;,-1.92,;,-3.46,;-1.33,-4.23,;-1.33,-5.77,;-2.67,-3.46,;-2.67,-1.92,;,1.15,;1.33,.39,)| Show InChI InChI=1S/C20H22FN5O3/c1-10-14-8-15(11-7-16(21)18(29-2)23-9-11)19(28)26(17(14)25-20(22)24-10)12-3-5-13(27)6-4-12/h7-9,12-13,27H,3-6H2,1-2H3,(H2,22,24,25)/t12-,13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in...				US Patent US8633204 (2014) BindingDB Entry DOI: 10.7270/Q2Q81BQT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM113453 (US8633204, 163) Show SMILES Cc1nc(N)nc2n([C@@H]3CC[C@H](O)C3)c(=O)c(cc12)-c1cnc2[nH]ccc2c1 |r| Show InChI InChI=1S/C20H20N6O2/c1-10-15-8-16(12-6-11-4-5-22-17(11)23-9-12)19(28)26(13-2-3-14(27)7-13)18(15)25-20(21)24-10/h4-6,8-9,13-14,27H,2-3,7H2,1H3,(H,22,23)(H2,21,24,25)/t13-,14+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in...				US Patent US8633204 (2014) BindingDB Entry DOI: 10.7270/Q2Q81BQT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM113455 (US8633204, 165) Show SMILES Cc1nc(N)nc2n([C@@H]3CC[C@@H](O)C3)c(=O)c(cc12)-c1cnc2[nH]ccc2c1 |r| Show InChI InChI=1S/C20H20N6O2/c1-10-15-8-16(12-6-11-4-5-22-17(11)23-9-12)19(28)26(13-2-3-14(27)7-13)18(15)25-20(21)24-10/h4-6,8-9,13-14,27H,2-3,7H2,1H3,(H,22,23)(H2,21,24,25)/t13-,14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in...				US Patent US8633204 (2014) BindingDB Entry DOI: 10.7270/Q2Q81BQT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM113544 (US8633204, 278) Show SMILES CCn1nccc1NC(=O)c1cc2c(C)nc(N)nc2n([C@H]2CC[C@H](O)CC2)c1=O |r,wU:21.22,wD:24.26,(2.82,6.54,;2.82,5,;4.15,4.23,;5.61,4.71,;6.52,3.47,;5.61,2.22,;4.15,2.69,;2.82,1.93,;1.48,2.69,;1.48,4.23,;.15,1.93,;-1.18,2.69,;-2.52,1.93,;-3.85,2.69,;-3.85,4.23,;-5.19,1.93,;-5.19,.38,;-6.52,-.38,;-3.85,-.38,;-2.52,.38,;-1.18,-.38,;-1.18,-1.93,;.15,-2.69,;.15,-4.23,;-1.18,-5,;-1.18,-6.54,;-2.52,-4.23,;-2.52,-2.69,;.15,.38,;1.48,-.38,)| Show InChI InChI=1S/C20H25N7O3/c1-3-26-16(8-9-22-26)24-18(29)15-10-14-11(2)23-20(21)25-17(14)27(19(15)30)12-4-6-13(28)7-5-12/h8-10,12-13,28H,3-7H2,1-2H3,(H,24,29)(H2,21,23,25)/t12-,13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in...				US Patent US8633204 (2014) BindingDB Entry DOI: 10.7270/Q2Q81BQT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM113448 (US8633204, 158) Show SMILES Cc1nc(N)nc2n([C@H]3CC[C@H](O)CC3)c(=O)c(cc12)-c1cnc2[nH]ccc2c1 |r,wU:8.7,wD:11.11,(-3.85,4.49,;-3.85,2.95,;-5.19,2.18,;-5.19,.64,;-6.52,-.13,;-3.85,-.13,;-2.52,.64,;-1.18,-.13,;-1.18,-1.67,;.15,-2.44,;.15,-3.98,;-1.18,-4.75,;-1.18,-6.29,;-2.52,-3.98,;-2.52,-2.44,;.15,.64,;1.48,-.13,;.15,2.18,;-1.18,2.95,;-2.52,2.18,;1.48,2.95,;1.48,4.49,;2.82,5.26,;4.15,4.49,;5.61,4.96,;6.52,3.72,;5.61,2.47,;4.15,2.95,;2.82,2.18,)| Show InChI InChI=1S/C21H22N6O2/c1-11-16-9-17(13-8-12-6-7-23-18(12)24-10-13)20(29)27(19(16)26-21(22)25-11)14-2-4-15(28)5-3-14/h6-10,14-15,28H,2-5H2,1H3,(H,23,24)(H2,22,25,26)/t14-,15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in...				US Patent US8633204 (2014) BindingDB Entry DOI: 10.7270/Q2Q81BQT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM113535 (US8633204, 265) Show SMILES COc1ncc(cc1F)-c1cc2c(C)nc(N)nc2n(C2CCOCC2)c1=O Show InChI InChI=1S/C19H20FN5O3/c1-10-13-8-14(11-7-15(20)17(27-2)22-9-11)18(26)25(12-3-5-28-6-4-12)16(13)24-19(21)23-10/h7-9,12H,3-6H2,1-2H3,(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.43	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in...				US Patent US8633204 (2014) BindingDB Entry DOI: 10.7270/Q2Q81BQT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM113551 (US8633204, 288) Show SMILES COc1ncc(cc1F)-c1cc2c(C)nc(N)nc2n([C@H]2CC[C@@H](CC2)OCCO)c1=O |r,wU:20.21,wD:23.28,(6,6.93,;6,5.39,;4.67,4.62,;3.33,5.39,;2,4.62,;2,3.08,;3.33,2.31,;4.67,3.08,;6,2.31,;.67,2.31,;-.67,3.08,;-2,2.31,;-3.33,3.08,;-3.33,4.62,;-4.67,2.31,;-4.67,.77,;-6,,;-3.33,,;-2,.77,;-.67,,;-.67,-1.54,;.67,-2.31,;.67,-3.85,;-.67,-4.62,;-2,-3.85,;-2,-2.31,;-.67,-6.16,;.67,-6.93,;2,-6.16,;3.33,-6.93,;.67,.77,;2,,)| Show InChI InChI=1S/C22H26FN5O4/c1-12-16-10-17(13-9-18(23)20(31-2)25-11-13)21(30)28(19(16)27-22(24)26-12)14-3-5-15(6-4-14)32-8-7-29/h9-11,14-15,29H,3-8H2,1-2H3,(H2,24,26,27)/t14-,15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.44	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in...				US Patent US8633204 (2014) BindingDB Entry DOI: 10.7270/Q2Q81BQT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM113417 (US8633204, 108) Show SMILES CNc1nc(C)c2cc(-c3ccc(O)c(OC)c3)c(=O)n(C3CCCC3)c2n1 Show InChI InChI=1S/C21H24N4O3/c1-12-15-11-16(13-8-9-17(26)18(10-13)28-3)20(27)25(14-6-4-5-7-14)19(15)24-21(22-2)23-12/h8-11,14,26H,4-7H2,1-3H3,(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.57	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in...				US Patent US8633204 (2014) BindingDB Entry DOI: 10.7270/Q2Q81BQT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50433044 (CHEMBL2375963 | US8633204, 304) Show SMILES COc1ncc(cc1F)-c1cc2c(C)nc(N)nc2n([C@@H]2CC[C@@H](CC2)OCC(N)=O)c1=O |r,wD:20.21,23.28,(27.43,-30.66,;26.1,-29.89,;24.76,-30.66,;24.76,-32.2,;23.42,-32.96,;22.09,-32.19,;22.09,-30.65,;23.42,-29.88,;23.42,-28.34,;20.75,-32.94,;19.4,-32.16,;18.06,-32.94,;16.73,-32.18,;16.73,-30.64,;15.4,-32.95,;15.4,-34.49,;14.07,-35.26,;16.73,-35.26,;18.06,-34.49,;19.4,-35.27,;19.39,-36.81,;20.72,-37.58,;20.71,-39.12,;19.37,-39.88,;18.05,-39.1,;18.05,-37.57,;19.36,-41.42,;18.02,-42.18,;16.7,-41.41,;15.36,-42.17,;16.71,-39.87,;20.75,-34.5,;22.08,-35.27,)| Show InChI InChI=1S/C22H25FN6O4/c1-11-15-8-16(12-7-17(23)20(32-2)26-9-12)21(31)29(19(15)28-22(25)27-11)13-3-5-14(6-4-13)33-10-18(24)30/h7-9,13-14H,3-6,10H2,1-2H3,(H2,24,30)(H2,25,27,28)/t13-,14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.58	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in...				US Patent US8633204 (2014) BindingDB Entry DOI: 10.7270/Q2Q81BQT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM113543 (US8633204, 277) Show SMILES CCNc1nc(C)c2cc(-c3cnc(OC)nc3)c(=O)n([C@H]3CC[C@H](O)CC3)c2n1 |r,wU:21.21,wD:24.25,(-7.96,1.08,;-6.47,1.47,;-5.38,.39,;-4.05,1.15,;-4.05,2.69,;-2.71,3.46,;-2.71,5,;-1.38,2.69,;-.05,3.46,;1.29,2.69,;2.62,3.46,;2.62,5,;3.96,5.77,;5.29,5,;6.62,5.77,;7.96,5,;5.29,3.46,;3.96,2.69,;1.29,1.15,;2.62,.39,;-.05,.39,;-.05,-1.15,;1.29,-1.92,;1.29,-3.46,;-.05,-4.23,;-.05,-5.77,;-1.38,-3.46,;-1.38,-1.92,;-1.38,1.15,;-2.71,.39,)| Show InChI InChI=1S/C21H26N6O3/c1-4-22-20-25-12(2)16-9-17(13-10-23-21(30-3)24-11-13)19(29)27(18(16)26-20)14-5-7-15(28)8-6-14/h9-11,14-15,28H,4-8H2,1-3H3,(H,22,25,26)/t14-,15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.59	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in...				US Patent US8633204 (2014) BindingDB Entry DOI: 10.7270/Q2Q81BQT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM113461 (US8633204, 171) Show SMILES Cc1nc(N)nc2n([C@@H]3CC[C@H](O)CC3)c(=O)c(cc12)-c1cnc2[nH]ccc2c1 |r,wU:8.7,11.11,(-3.85,4.49,;-3.85,2.95,;-5.19,2.18,;-5.19,.64,;-6.52,-.13,;-3.85,-.13,;-2.52,.64,;-1.18,-.13,;-1.18,-1.67,;-2.52,-2.44,;-2.52,-3.98,;-1.18,-4.75,;-1.18,-6.29,;.15,-3.98,;.15,-2.44,;.15,.64,;1.48,-.13,;.15,2.18,;-1.18,2.95,;-2.52,2.18,;1.48,2.95,;1.48,4.49,;2.82,5.26,;4.15,4.49,;5.61,4.96,;6.52,3.72,;5.61,2.47,;4.15,2.95,;2.82,2.18,)| Show InChI InChI=1S/C21H22N6O2/c1-11-16-9-17(13-8-12-6-7-23-18(12)24-10-13)20(29)27(19(16)26-21(22)25-11)14-2-4-15(28)5-3-14/h6-10,14-15,28H,2-5H2,1H3,(H,23,24)(H2,22,25,26)/t14-,15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in...				US Patent US8633204 (2014) BindingDB Entry DOI: 10.7270/Q2Q81BQT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM113495 (US8633204, 217) Show SMILES CNc1nc(C)c2cc(-c3cnc4[nH]ccc4c3)c(=O)n(CC3CCOC3)c2n1 Show InChI InChI=1S/C21H22N6O2/c1-12-16-8-17(15-7-14-3-5-23-18(14)24-9-15)20(28)27(10-13-4-6-29-11-13)19(16)26-21(22-2)25-12/h3,5,7-9,13H,4,6,10-11H2,1-2H3,(H,23,24)(H,22,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in...				US Patent US8633204 (2014) BindingDB Entry DOI: 10.7270/Q2Q81BQT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM113469 (US8633204, 180) Show SMILES CO[C@H]1CC[C@@H](CC1)n1c2nc(N)nc(C)c2cc(-c2cnc(OC)c(F)c2)c1=O |r,wU:5.8,wD:2.1,(,-6.16,;-1.33,-5.39,;-1.33,-3.85,;,-3.08,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-2.67,-3.08,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.33,1.54,;-6.67,.77,;-5.33,3.08,;-4,3.85,;-4,5.39,;-2.67,3.08,;-1.33,3.85,;,3.08,;1.33,3.85,;1.33,5.39,;2.67,6.16,;4,5.39,;5.33,6.16,;6.67,5.39,;4,3.85,;5.33,3.08,;2.67,3.08,;,1.54,;1.33,.77,)| Show InChI InChI=1S/C21H24FN5O3/c1-11-15-9-16(12-8-17(22)19(30-3)24-10-12)20(28)27(18(15)26-21(23)25-11)13-4-6-14(29-2)7-5-13/h8-10,13-14H,4-7H2,1-3H3,(H2,23,25,26)/t13-,14-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in...				US Patent US8633204 (2014) BindingDB Entry DOI: 10.7270/Q2Q81BQT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM113526 (US8633204, 254) Show SMILES COc1ncc(cc1F)-c1cc2c(C)nc(N)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C19H20FN5O2/c1-10-13-8-14(11-7-15(20)17(27-2)22-9-11)18(26)25(12-5-3-4-6-12)16(13)24-19(21)23-10/h7-9,12H,3-6H2,1-2H3,(H2,21,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in...				US Patent US8633204 (2014) BindingDB Entry DOI: 10.7270/Q2Q81BQT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM113432 (US8633204, 135) Show SMILES CCNc1nc(C)c2cc(-c3cnc4[nH]ccc4c3)c(=O)n(C3CCCC3)c2n1 Show InChI InChI=1S/C22H24N6O/c1-3-23-22-26-13(2)17-11-18(15-10-14-8-9-24-19(14)25-12-15)21(29)28(20(17)27-22)16-6-4-5-7-16/h8-12,16H,3-7H2,1-2H3,(H,24,25)(H,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.77	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in...				US Patent US8633204 (2014) BindingDB Entry DOI: 10.7270/Q2Q81BQT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM113541 (US8633204, 274) Show SMILES CNc1nc(C)c2cc(-c3ccc(OC)nc3)c(=O)n([C@H]3CC[C@H](O)CC3)c2n1 |r,wU:20.20,wD:23.24,(-7.34,1.16,;-6,.39,;-4.67,1.16,;-4.67,2.7,;-3.33,3.47,;-3.33,5.01,;-2,2.7,;-.67,3.47,;.67,2.7,;2,3.47,;2,5.01,;3.33,5.78,;4.67,5.01,;6,5.78,;7.34,5.01,;4.67,3.47,;3.33,2.7,;.67,1.16,;2,.39,;-.67,.39,;-.67,-1.16,;.67,-1.93,;.67,-3.47,;-.67,-4.24,;-.67,-5.78,;-2,-3.47,;-2,-1.93,;-2,1.16,;-3.33,.39,)| Show InChI InChI=1S/C21H25N5O3/c1-12-16-10-17(13-4-9-18(29-3)23-11-13)20(28)26(14-5-7-15(27)8-6-14)19(16)25-21(22-2)24-12/h4,9-11,14-15,27H,5-8H2,1-3H3,(H,22,24,25)/t14-,15-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in...				US Patent US8633204 (2014) BindingDB Entry DOI: 10.7270/Q2Q81BQT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM113489 (US8633204, 207) Show SMILES Cc1nc(N)nc2n(C3CCC3)c(=O)c(cc12)-c1cnc2[nH]ccc2c1 Show InChI InChI=1S/C19H18N6O/c1-10-14-8-15(12-7-11-5-6-21-16(11)22-9-12)18(26)25(13-3-2-4-13)17(14)24-19(20)23-10/h5-9,13H,2-4H2,1H3,(H,21,22)(H2,20,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in...				US Patent US8633204 (2014) BindingDB Entry DOI: 10.7270/Q2Q81BQT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM113527 (US8633204, 255) Show SMILES COc1ncc(cn1)-c1cc2c(C)nc(N)nc2n(C2CCCC2)c1=O Show InChI InChI=1S/C18H20N6O2/c1-10-13-7-14(11-8-20-18(26-2)21-9-11)16(25)24(12-5-3-4-6-12)15(13)23-17(19)22-10/h7-9,12H,3-6H2,1-2H3,(H2,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in...				US Patent US8633204 (2014) BindingDB Entry DOI: 10.7270/Q2Q81BQT
					More data for this Ligand-Target Pair

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