Compile Data Set for Download or QSAR

Found 110 hits with Last Name = 'rodgers' and Initial = 'c'   

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 (Homo sapiens (Human))	BDBM50336407 (4-amino-2,6-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-5...) Show SMILES Cc1cc(C(=O)Nc2cnc3[nH]ccc3c2)c2nc(C)nc(N)c2c1 Show InChI InChI=1S/C18H16N6O/c1-9-5-13-15(22-10(2)23-16(13)19)14(6-9)18(25)24-12-7-11-3-4-20-17(11)21-8-12/h3-8H,1-2H3,(H,20,21)(H,24,25)(H2,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	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 PI3Kalpha by fluorescene polarization assay				Bioorg Med Chem Lett 21: 1270-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.026 BindingDB Entry DOI: 10.7270/Q2H1329M
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336406 (4-amino-2,6-dimethyl-N-(6-methylpyridin-3-yl)quina...) Show SMILES Cc1cc(C(=O)Nc2ccc(C)nc2)c2nc(C)nc(N)c2c1 Show InChI InChI=1S/C17H17N5O/c1-9-6-13-15(20-11(3)21-16(13)18)14(7-9)17(23)22-12-5-4-10(2)19-8-12/h4-8H,1-3H3,(H,22,23)(H2,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	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 PI3Kalpha by fluorescene polarization assay				Bioorg Med Chem Lett 21: 1270-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.026 BindingDB Entry DOI: 10.7270/Q2H1329M
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336405 (4-amino-2-methyl-N-(6-methylpyridin-3-yl)quinazoli...) Show SMILES Cc1ccc(NC(=O)c2cccc3c(N)nc(C)nc23)cn1 Show InChI InChI=1S/C16H15N5O/c1-9-6-7-11(8-18-9)21-16(22)13-5-3-4-12-14(13)19-10(2)20-15(12)17/h3-8H,1-2H3,(H,21,22)(H2,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	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 PI3Kalpha by fluorescene polarization assay				Bioorg Med Chem Lett 21: 1270-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.026 BindingDB Entry DOI: 10.7270/Q2H1329M
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336410 (4-amino-N-(6-methoxypyridin-3-yl)-2,6-dimethylquin...) Show SMILES COc1ccc(NC(=O)c2cc(C)cc3c(N)nc(C)nc23)cn1 Show InChI InChI=1S/C17H17N5O2/c1-9-6-12-15(20-10(2)21-16(12)18)13(7-9)17(23)22-11-4-5-14(24-3)19-8-11/h4-8H,1-3H3,(H,22,23)(H2,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	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 PI3Kalpha by fluorescene polarization assay				Bioorg Med Chem Lett 21: 1270-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.026 BindingDB Entry DOI: 10.7270/Q2H1329M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50327904 (2-amino-4-methyl-6-(1H-pyrazol-3-yl)-8-(tetrahydro...) Show SMILES Cc1nc(N)nc2n(C3CCOCC3)c(=O)c(nc12)-c1cc[nH]n1 Show InChI InChI=1S/C15H17N7O2/c1-8-11-13(20-15(16)18-8)22(9-3-6-24-7-4-9)14(23)12(19-11)10-2-5-17-21-10/h2,5,9H,3-4,6-7H2,1H3,(H,17,21)(H2,16,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	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 mTOR				Bioorg Med Chem Lett 20: 6096-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.045 BindingDB Entry DOI: 10.7270/Q2ZK5GWH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50327907 (CHEMBL1257295 | trans-2-amino-8-(4-hydroxycyclohex...) Show SMILES Cc1ccc(cn1)-c1nc2c(C)nc(N)nc2n([C@H]2CC[C@H](O)CC2)c1=O |r,wU:21.23,wD:18.19,(6.09,-29.48,;4.76,-30.26,;4.77,-31.8,;3.44,-32.58,;2.1,-31.81,;2.09,-30.28,;3.42,-29.5,;.78,-32.59,;-.55,-31.83,;-1.88,-32.6,;-3.22,-31.84,;-3.22,-30.3,;-4.54,-32.61,;-4.55,-34.15,;-5.88,-34.92,;-3.21,-34.92,;-1.88,-34.14,;-.54,-34.91,;-.54,-36.45,;-1.87,-37.22,;-1.87,-38.76,;-.54,-39.53,;-.54,-41.07,;.79,-38.76,;.8,-37.22,;.79,-34.14,;2.13,-34.9,)| Show InChI InChI=1S/C19H22N6O2/c1-10-3-4-12(9-21-10)16-18(27)25(13-5-7-14(26)8-6-13)17-15(23-16)11(2)22-19(20)24-17/h3-4,9,13-14,26H,5-8H2,1-2H3,(H2,20,22,24)/t13-,14-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.850	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 mTOR				Bioorg Med Chem Lett 20: 6096-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.045 BindingDB Entry DOI: 10.7270/Q2ZK5GWH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336418 (4-amino-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)...) Show SMILES Cc1nc(N)c2cccc(C(=O)Nc3cnc4[nH]ccc4c3)c2n1 Show InChI InChI=1S/C17H14N6O/c1-9-21-14-12(15(18)22-9)3-2-4-13(14)17(24)23-11-7-10-5-6-19-16(10)20-8-11/h2-8H,1H3,(H,19,20)(H,23,24)(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	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 PI3Kalpha by fluorescene polarization assay				Bioorg Med Chem Lett 21: 1270-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.026 BindingDB Entry DOI: 10.7270/Q2H1329M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50336404 (4-amino-2,6-dimethyl-N-(1H-pyrazol-5-yl)quinazolin...) Show SMILES Cc1cc(C(=O)Nc2ccn[nH]2)c2nc(C)nc(N)c2c1 Show InChI InChI=1S/C14H14N6O/c1-7-5-9-12(17-8(2)18-13(9)15)10(6-7)14(21)19-11-3-4-16-20-11/h3-6H,1-2H3,(H2,15,17,18)(H2,16,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	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 mTOR				Bioorg Med Chem Lett 21: 1270-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.026 BindingDB Entry DOI: 10.7270/Q2H1329M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50336418 (4-amino-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)...) Show SMILES Cc1nc(N)c2cccc(C(=O)Nc3cnc4[nH]ccc4c3)c2n1 Show InChI InChI=1S/C17H14N6O/c1-9-21-14-12(15(18)22-9)3-2-4-13(14)17(24)23-11-7-10-5-6-19-16(10)20-8-11/h2-8H,1H3,(H,19,20)(H,23,24)(H2,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 mTOR				Bioorg Med Chem Lett 21: 1270-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.026 BindingDB Entry DOI: 10.7270/Q2H1329M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50327894 (2-amino-8-isopropyl-6-(6-methoxypyridin-3-yl)-4-me...) Show SMILES COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n(C(C)C)c1=O Show InChI InChI=1S/C17H19N5O2/c1-9(2)22-15-12(10(3)20-17(18)21-15)7-13(16(22)23)11-5-6-14(24-4)19-8-11/h5-9H,1-4H3,(H2,18,20,21)	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	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 mTOR				Bioorg Med Chem Lett 20: 6096-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.045 BindingDB Entry DOI: 10.7270/Q2ZK5GWH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50327906 (2-amino-4-methyl-6-(6-methylpyridin-3-yl)-8-(tetra...) Show SMILES Cc1ccc(cn1)-c1nc2c(C)nc(N)nc2n(C2CCOCC2)c1=O Show InChI InChI=1S/C18H20N6O2/c1-10-3-4-12(9-20-10)15-17(25)24(13-5-7-26-8-6-13)16-14(22-15)11(2)21-18(19)23-16/h3-4,9,13H,5-8H2,1-2H3,(H2,19,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 mTOR				Bioorg Med Chem Lett 20: 6096-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.045 BindingDB Entry DOI: 10.7270/Q2ZK5GWH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336408 (4-amino-2,6-dimethyl-N-(1H-pyrazol-4-yl)quinazolin...) Show SMILES Cc1cc(C(=O)Nc2cn[nH]c2)c2nc(C)nc(N)c2c1 Show InChI InChI=1S/C14H14N6O/c1-7-3-10-12(18-8(2)19-13(10)15)11(4-7)14(21)20-9-5-16-17-6-9/h3-6H,1-2H3,(H,16,17)(H,20,21)(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	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 PI3Kalpha by fluorescene polarization assay				Bioorg Med Chem Lett 21: 1270-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.026 BindingDB Entry DOI: 10.7270/Q2H1329M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50327903 (CHEMBL1258910 | trans-2-amino-8-(4-(2-hydroxyethox...) Show SMILES Cc1ccc(cn1)-c1nc2c(C)nc(N)nc2n([C@H]2CC[C@@H](CC2)OCCO)c1=O |r,wU:18.19,wD:21.26,(6.04,1.56,;4.72,.78,;4.73,-.76,;3.4,-1.53,;2.06,-.77,;2.05,.76,;3.37,1.55,;.74,-1.54,;-.6,-.78,;-1.93,-1.56,;-3.26,-.79,;-3.27,.75,;-4.59,-1.56,;-4.59,-3.11,;-5.93,-3.88,;-3.26,-3.88,;-1.93,-3.1,;-.59,-3.87,;-.59,-5.41,;.75,-6.17,;.75,-7.72,;-.59,-8.49,;-1.92,-7.71,;-1.92,-6.18,;-.59,-10.03,;-1.93,-10.8,;-1.93,-12.34,;-3.26,-13.1,;.74,-3.09,;2.08,-3.86,)| Show InChI InChI=1S/C21H26N6O3/c1-12-3-4-14(11-23-12)18-20(29)27(15-5-7-16(8-6-15)30-10-9-28)19-17(25-18)13(2)24-21(22)26-19/h3-4,11,15-16,28H,5-10H2,1-2H3,(H2,22,24,26)/t15-,16-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.11	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 mTOR				Bioorg Med Chem Lett 20: 6096-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.045 BindingDB Entry DOI: 10.7270/Q2ZK5GWH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336420 (4-amino-2-methyl-N-(1H-pyrazol-4-yl)quinazoline-8-...) Show SMILES Cc1nc(N)c2cccc(C(=O)Nc3cn[nH]c3)c2n1 Show InChI InChI=1S/C13H12N6O/c1-7-17-11-9(12(14)18-7)3-2-4-10(11)13(20)19-8-5-15-16-6-8/h2-6H,1H3,(H,15,16)(H,19,20)(H2,14,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 PI3Kalpha by fluorescene polarization assay				Bioorg Med Chem Lett 21: 1270-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.026 BindingDB Entry DOI: 10.7270/Q2H1329M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50327897 (2-amino-8-isopropyl-4-methyl-6-(1H-pyrazol-5-yl)pt...) Show SMILES CC(C)n1c2nc(N)nc(C)c2nc(-c2cc[nH]n2)c1=O Show InChI InChI=1S/C13H15N7O/c1-6(2)20-11-9(7(3)16-13(14)18-11)17-10(12(20)21)8-4-5-15-19-8/h4-6H,1-3H3,(H,15,19)(H2,14,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 mTOR				Bioorg Med Chem Lett 20: 6096-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.045 BindingDB Entry DOI: 10.7270/Q2ZK5GWH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50327905 (CHEMBL1257177 | trans-2-amino-8-((1r,4r)-4-hydroxy...) Show SMILES COc1ccc(cn1)-c1nc2c(C)nc(N)nc2n([C@H]2CC[C@H](O)CC2)c1=O |r,wU:19.20,wD:22.24,(6.1,-15.1,;4.76,-14.34,;3.43,-15.12,;3.44,-16.66,;2.11,-17.44,;.77,-16.67,;.76,-15.14,;2.09,-14.36,;-.55,-17.45,;-1.88,-16.69,;-3.21,-17.46,;-4.55,-16.7,;-4.55,-15.16,;-5.87,-17.47,;-5.88,-19.01,;-7.21,-19.78,;-4.54,-19.78,;-3.21,-19,;-1.87,-19.77,;-1.87,-21.31,;-.53,-22.08,;-.54,-23.62,;-1.87,-24.39,;-1.87,-25.93,;-3.2,-23.62,;-3.2,-22.08,;-.54,-19,;.8,-19.76,)| Show InChI InChI=1S/C19H22N6O3/c1-10-15-17(24-19(20)22-10)25(12-4-6-13(26)7-5-12)18(27)16(23-15)11-3-8-14(28-2)21-9-11/h3,8-9,12-13,26H,4-7H2,1-2H3,(H2,20,22,24)/t12-,13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	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 mTOR				Bioorg Med Chem Lett 20: 6096-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.045 BindingDB Entry DOI: 10.7270/Q2ZK5GWH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336404 (4-amino-2,6-dimethyl-N-(1H-pyrazol-5-yl)quinazolin...) Show SMILES Cc1cc(C(=O)Nc2ccn[nH]2)c2nc(C)nc(N)c2c1 Show InChI InChI=1S/C14H14N6O/c1-7-5-9-12(17-8(2)18-13(9)15)10(6-7)14(21)19-11-3-4-16-20-11/h3-6H,1-2H3,(H2,15,17,18)(H2,16,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 PI3Kalpha by fluorescene polarization assay				Bioorg Med Chem Lett 21: 1270-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.026 BindingDB Entry DOI: 10.7270/Q2H1329M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50327896 (2-amino-4-methyl-8-(1-methylethyl)-6-(1H-pyrazol-4...) Show SMILES CC(C)n1c2nc(N)nc(C)c2nc(-c2cn[nH]c2)c1=O Show InChI InChI=1S/C13H15N7O/c1-6(2)20-11-9(7(3)17-13(14)19-11)18-10(12(20)21)8-4-15-16-5-8/h4-6H,1-3H3,(H,15,16)(H2,14,17,19)	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	9	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 mTOR				Bioorg Med Chem Lett 20: 6096-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.045 BindingDB Entry DOI: 10.7270/Q2ZK5GWH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336417 (4-amino-N-(6-(dimethylamino)pyridin-3-yl)-2,6-dime...) Show SMILES CN(C)c1ccc(NC(=O)c2cc(C)cc3c(N)nc(C)nc23)cn1 Show InChI InChI=1S/C18H20N6O/c1-10-7-13-16(21-11(2)22-17(13)19)14(8-10)18(25)23-12-5-6-15(20-9-12)24(3)4/h5-9H,1-4H3,(H,23,25)(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	12	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 PI3Kalpha by fluorescene polarization assay				Bioorg Med Chem Lett 21: 1270-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.026 BindingDB Entry DOI: 10.7270/Q2H1329M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50336412 (4-amino-2-methyl-6-(morpholinomethyl)-N-(1H-pyrazo...) Show SMILES Cc1nc(N)c2cc(CN3CCOCC3)cc(C(=O)Nc3ccn[nH]3)c2n1 Show InChI InChI=1S/C18H21N7O2/c1-11-21-16-13(17(19)22-11)8-12(10-25-4-6-27-7-5-25)9-14(16)18(26)23-15-2-3-20-24-15/h2-3,8-9H,4-7,10H2,1H3,(H2,19,21,22)(H2,20,23,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	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 mTOR				Bioorg Med Chem Lett 21: 1270-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.026 BindingDB Entry DOI: 10.7270/Q2H1329M
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336412 (4-amino-2-methyl-6-(morpholinomethyl)-N-(1H-pyrazo...) Show SMILES Cc1nc(N)c2cc(CN3CCOCC3)cc(C(=O)Nc3ccn[nH]3)c2n1 Show InChI InChI=1S/C18H21N7O2/c1-11-21-16-13(17(19)22-11)8-12(10-25-4-6-27-7-5-25)9-14(16)18(26)23-15-2-3-20-24-15/h2-3,8-9H,4-7,10H2,1H3,(H2,19,21,22)(H2,20,23,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	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 PI3Kalpha by fluorescene polarization assay				Bioorg Med Chem Lett 21: 1270-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.026 BindingDB Entry DOI: 10.7270/Q2H1329M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50336407 (4-amino-2,6-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-5...) Show SMILES Cc1cc(C(=O)Nc2cnc3[nH]ccc3c2)c2nc(C)nc(N)c2c1 Show InChI InChI=1S/C18H16N6O/c1-9-5-13-15(22-10(2)23-16(13)19)14(6-9)18(25)24-12-7-11-3-4-20-17(11)21-8-12/h3-8H,1-2H3,(H,20,21)(H,24,25)(H2,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	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 mTOR				Bioorg Med Chem Lett 21: 1270-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.026 BindingDB Entry DOI: 10.7270/Q2H1329M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50327901 (2-amino-8-isopropyl-6-(2-methoxypyrimidin-5-yl)-4-...) Show SMILES COc1ncc(cn1)-c1nc2c(C)nc(N)nc2n(C(C)C)c1=O Show InChI InChI=1S/C15H17N7O2/c1-7(2)22-12-10(8(3)19-14(16)21-12)20-11(13(22)23)9-5-17-15(24-4)18-6-9/h5-7H,1-4H3,(H2,16,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	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 mTOR				Bioorg Med Chem Lett 20: 6096-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.045 BindingDB Entry DOI: 10.7270/Q2ZK5GWH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50336420 (4-amino-2-methyl-N-(1H-pyrazol-4-yl)quinazoline-8-...) Show SMILES Cc1nc(N)c2cccc(C(=O)Nc3cn[nH]c3)c2n1 Show InChI InChI=1S/C13H12N6O/c1-7-17-11-9(12(14)18-7)3-2-4-10(11)13(20)19-8-5-15-16-6-8/h2-6H,1H3,(H,15,16)(H,19,20)(H2,14,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	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 mTOR				Bioorg Med Chem Lett 21: 1270-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.026 BindingDB Entry DOI: 10.7270/Q2H1329M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50327900 (2-amino-8-isopropyl-6-(6-methoxypyridin-3-yl)-4-me...) Show SMILES COc1ccc(cn1)-c1nc2c(C)nc(N)nc2n(C(C)C)c1=O Show InChI InChI=1S/C16H18N6O2/c1-8(2)22-14-12(9(3)19-16(17)21-14)20-13(15(22)23)10-5-6-11(24-4)18-7-10/h5-8H,1-4H3,(H2,17,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	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 mTOR				Bioorg Med Chem Lett 20: 6096-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.045 BindingDB Entry DOI: 10.7270/Q2ZK5GWH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50336405 (4-amino-2-methyl-N-(6-methylpyridin-3-yl)quinazoli...) Show SMILES Cc1ccc(NC(=O)c2cccc3c(N)nc(C)nc23)cn1 Show InChI InChI=1S/C16H15N5O/c1-9-6-7-11(8-18-9)21-16(22)13-5-3-4-12-14(13)19-10(2)20-15(12)17/h3-8H,1-2H3,(H,21,22)(H2,17,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	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 mTOR				Bioorg Med Chem Lett 21: 1270-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.026 BindingDB Entry DOI: 10.7270/Q2H1329M
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336415 (4-amino-N-(6-(dimethylamino)pyridin-3-yl)-2-methyl...) Show SMILES CN(C)c1ccc(NC(=O)c2cccc3c(N)nc(C)nc23)cn1 Show InChI InChI=1S/C17H18N6O/c1-10-20-15-12(16(18)21-10)5-4-6-13(15)17(24)22-11-7-8-14(19-9-11)23(2)3/h4-9H,1-3H3,(H,22,24)(H2,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	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 PI3Kalpha by fluorescene polarization assay				Bioorg Med Chem Lett 21: 1270-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.026 BindingDB Entry DOI: 10.7270/Q2H1329M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50336406 (4-amino-2,6-dimethyl-N-(6-methylpyridin-3-yl)quina...) Show SMILES Cc1cc(C(=O)Nc2ccc(C)nc2)c2nc(C)nc(N)c2c1 Show InChI InChI=1S/C17H17N5O/c1-9-6-13-15(20-11(3)21-16(13)18)14(7-9)17(23)22-12-5-4-10(2)19-8-12/h4-8H,1-3H3,(H,22,23)(H2,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66	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 mTOR				Bioorg Med Chem Lett 21: 1270-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.026 BindingDB Entry DOI: 10.7270/Q2H1329M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50336408 (4-amino-2,6-dimethyl-N-(1H-pyrazol-4-yl)quinazolin...) Show SMILES Cc1cc(C(=O)Nc2cn[nH]c2)c2nc(C)nc(N)c2c1 Show InChI InChI=1S/C14H14N6O/c1-7-3-10-12(18-8(2)19-13(10)15)11(4-7)14(21)20-9-5-16-17-6-9/h3-6H,1-2H3,(H,16,17)(H,20,21)(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	84	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 mTOR				Bioorg Med Chem Lett 21: 1270-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.026 BindingDB Entry DOI: 10.7270/Q2H1329M
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336409 (4-amino-N-(6-methoxypyridin-3-yl)-2,7-dimethylquin...) Show SMILES COc1ccc(NC(=O)c2c(C)ccc3c(N)nc(C)nc23)cn1 Show InChI InChI=1S/C17H17N5O2/c1-9-4-6-12-15(20-10(2)21-16(12)18)14(9)17(23)22-11-5-7-13(24-3)19-8-11/h4-8H,1-3H3,(H,22,23)(H2,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	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 PI3Kalpha by fluorescene polarization assay				Bioorg Med Chem Lett 21: 1270-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.026 BindingDB Entry DOI: 10.7270/Q2H1329M
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336421 (4-amino-2,7-dimethyl-N-(1H-pyrazol-4-yl)quinazolin...) Show SMILES Cc1nc(N)c2ccc(C)c(C(=O)Nc3cn[nH]c3)c2n1 Show InChI InChI=1S/C14H14N6O/c1-7-3-4-10-12(18-8(2)19-13(10)15)11(7)14(21)20-9-5-16-17-6-9/h3-6H,1-2H3,(H,16,17)(H,20,21)(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	100	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 PI3Kalpha by fluorescene polarization assay				Bioorg Med Chem Lett 21: 1270-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.026 BindingDB Entry DOI: 10.7270/Q2H1329M
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336416 (4-amino-N-(6-(dimethylamino)pyridin-3-yl)-2,7-dime...) Show SMILES CN(C)c1ccc(NC(=O)c2c(C)ccc3c(N)nc(C)nc23)cn1 Show InChI InChI=1S/C18H20N6O/c1-10-5-7-13-16(21-11(2)22-17(13)19)15(10)18(25)23-12-6-8-14(20-9-12)24(3)4/h5-9H,1-4H3,(H,23,25)(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	100	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 PI3Kalpha by fluorescene polarization assay				Bioorg Med Chem Lett 21: 1270-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.026 BindingDB Entry DOI: 10.7270/Q2H1329M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50327898 (2-amino-8-isopropyl-4-methyl-6-(1H-1,2,3-triazol-5...) Show SMILES CC(C)n1c2nc(N)nc(C)c2nc(-c2c[nH]nn2)c1=O Show InChI InChI=1S/C12H14N8O/c1-5(2)20-10-8(6(3)15-12(13)17-10)16-9(11(20)21)7-4-14-19-18-7/h4-5H,1-3H3,(H2,13,15,17)(H,14,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	113	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 mTOR				Bioorg Med Chem Lett 20: 6096-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.045 BindingDB Entry DOI: 10.7270/Q2ZK5GWH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50336417 (4-amino-N-(6-(dimethylamino)pyridin-3-yl)-2,6-dime...) Show SMILES CN(C)c1ccc(NC(=O)c2cc(C)cc3c(N)nc(C)nc23)cn1 Show InChI InChI=1S/C18H20N6O/c1-10-7-13-16(21-11(2)22-17(13)19)14(8-10)18(25)23-12-5-6-15(20-9-12)24(3)4/h5-9H,1-4H3,(H,23,25)(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	162	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 mTOR				Bioorg Med Chem Lett 21: 1270-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.026 BindingDB Entry DOI: 10.7270/Q2H1329M
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336413 (4-amino-6-((dimethylamino)methyl)-2-methyl-N-(1H-p...) Show SMILES CN(C)Cc1cc(C(=O)Nc2ccn[nH]2)c2nc(C)nc(N)c2c1 Show InChI InChI=1S/C16H19N7O/c1-9-19-14-11(15(17)20-9)6-10(8-23(2)3)7-12(14)16(24)21-13-4-5-18-22-13/h4-7H,8H2,1-3H3,(H2,17,19,20)(H2,18,21,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	188	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 PI3Kalpha by fluorescene polarization assay				Bioorg Med Chem Lett 21: 1270-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.026 BindingDB Entry DOI: 10.7270/Q2H1329M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50336419 (4-amino-2,7-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-5...) Show SMILES Cc1nc(N)c2ccc(C)c(C(=O)Nc3cnc4[nH]ccc4c3)c2n1 Show InChI InChI=1S/C18H16N6O/c1-9-3-4-13-15(22-10(2)23-16(13)19)14(9)18(25)24-12-7-11-5-6-20-17(11)21-8-12/h3-8H,1-2H3,(H,20,21)(H,24,25)(H2,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	216	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 mTOR				Bioorg Med Chem Lett 21: 1270-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.026 BindingDB Entry DOI: 10.7270/Q2H1329M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50336410 (4-amino-N-(6-methoxypyridin-3-yl)-2,6-dimethylquin...) Show SMILES COc1ccc(NC(=O)c2cc(C)cc3c(N)nc(C)nc23)cn1 Show InChI InChI=1S/C17H17N5O2/c1-9-6-12-15(20-10(2)21-16(12)18)13(7-9)17(23)22-11-4-5-14(24-3)19-8-11/h4-8H,1-3H3,(H,22,23)(H2,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	265	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 mTOR				Bioorg Med Chem Lett 21: 1270-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.026 BindingDB Entry DOI: 10.7270/Q2H1329M
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336419 (4-amino-2,7-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-5...) Show SMILES Cc1nc(N)c2ccc(C)c(C(=O)Nc3cnc4[nH]ccc4c3)c2n1 Show InChI InChI=1S/C18H16N6O/c1-9-3-4-13-15(22-10(2)23-16(13)19)14(9)18(25)24-12-7-11-5-6-20-17(11)21-8-12/h3-8H,1-2H3,(H,20,21)(H,24,25)(H2,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	631	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 PI3Kalpha by fluorescene polarization assay				Bioorg Med Chem Lett 21: 1270-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.026 BindingDB Entry DOI: 10.7270/Q2H1329M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50327902 (2-amino-8-isopropyl-6-(2-methoxypyridin-4-yl)-4-me...) Show SMILES COc1cc(ccn1)-c1nc2c(C)nc(N)nc2n(C(C)C)c1=O Show InChI InChI=1S/C16H18N6O2/c1-8(2)22-14-12(9(3)19-16(17)21-14)20-13(15(22)23)10-5-6-18-11(7-10)24-4/h5-8H,1-4H3,(H2,17,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	947	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 mTOR				Bioorg Med Chem Lett 20: 6096-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.045 BindingDB Entry DOI: 10.7270/Q2ZK5GWH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50336411 (4-amino-2,7-dimethyl-N-(1H-pyrazol-5-yl)quinazolin...) Show SMILES Cc1nc(N)c2ccc(C)c(C(=O)Nc3ccn[nH]3)c2n1 Show InChI InChI=1S/C14H14N6O/c1-7-3-4-9-12(17-8(2)18-13(9)15)11(7)14(21)19-10-5-6-16-20-10/h3-6H,1-2H3,(H2,15,17,18)(H2,16,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	984	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 mTOR				Bioorg Med Chem Lett 21: 1270-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.026 BindingDB Entry DOI: 10.7270/Q2H1329M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50336415 (4-amino-N-(6-(dimethylamino)pyridin-3-yl)-2-methyl...) Show SMILES CN(C)c1ccc(NC(=O)c2cccc3c(N)nc(C)nc23)cn1 Show InChI InChI=1S/C17H18N6O/c1-10-20-15-12(16(18)21-10)5-4-6-13(15)17(24)22-11-7-8-14(19-9-11)23(2)3/h4-9H,1-3H3,(H,22,24)(H2,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	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 mTOR				Bioorg Med Chem Lett 21: 1270-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.026 BindingDB Entry DOI: 10.7270/Q2H1329M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50336409 (4-amino-N-(6-methoxypyridin-3-yl)-2,7-dimethylquin...) Show SMILES COc1ccc(NC(=O)c2c(C)ccc3c(N)nc(C)nc23)cn1 Show InChI InChI=1S/C17H17N5O2/c1-9-4-6-12-15(20-10(2)21-16(12)18)14(9)17(23)22-11-5-7-13(24-3)19-8-11/h4-8H,1-3H3,(H,22,23)(H2,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	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 mTOR				Bioorg Med Chem Lett 21: 1270-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.026 BindingDB Entry DOI: 10.7270/Q2H1329M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50336413 (4-amino-6-((dimethylamino)methyl)-2-methyl-N-(1H-p...) Show SMILES CN(C)Cc1cc(C(=O)Nc2ccn[nH]2)c2nc(C)nc(N)c2c1 Show InChI InChI=1S/C16H19N7O/c1-9-19-14-11(15(17)20-9)6-10(8-23(2)3)7-12(14)16(24)21-13-4-5-18-22-13/h4-7H,8H2,1-3H3,(H2,17,19,20)(H2,18,21,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.33E+3	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 mTOR				Bioorg Med Chem Lett 21: 1270-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.026 BindingDB Entry DOI: 10.7270/Q2H1329M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50336414 (4-amino-2,7-dimethyl-N-(6-methylpyridin-3-yl)quina...) Show SMILES Cc1ccc(NC(=O)c2c(C)ccc3c(N)nc(C)nc23)cn1 Show InChI InChI=1S/C17H17N5O/c1-9-4-7-13-15(20-11(3)21-16(13)18)14(9)17(23)22-12-6-5-10(2)19-8-12/h4-8H,1-3H3,(H,22,23)(H2,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.25E+3	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 mTOR				Bioorg Med Chem Lett 21: 1270-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.026 BindingDB Entry DOI: 10.7270/Q2H1329M
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50327899 (2-amino-8-isopropyl-6-(2-methoxypyridin-3-yl)-4-me...) Show SMILES COc1ncccc1-c1nc2c(C)nc(N)nc2n(C(C)C)c1=O Show InChI InChI=1S/C16H18N6O2/c1-8(2)22-13-11(9(3)19-16(17)21-13)20-12(15(22)23)10-6-5-7-18-14(10)24-4/h5-8H,1-4H3,(H2,17,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.94E+3	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 mTOR				Bioorg Med Chem Lett 20: 6096-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.045 BindingDB Entry DOI: 10.7270/Q2ZK5GWH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50327895 (2-amino-8-isopropyl-4-methoxy-6-(6-methoxypyridin-...) Show SMILES COc1ccc(cn1)-c1cc2c(OC)nc(N)nc2n(C(C)C)c1=O Show InChI InChI=1S/C17H19N5O3/c1-9(2)22-14-12(15(25-4)21-17(18)20-14)7-11(16(22)23)10-5-6-13(24-3)19-8-10/h5-9H,1-4H3,(H2,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+3	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 mTOR				Bioorg Med Chem Lett 20: 6096-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.045 BindingDB Entry DOI: 10.7270/Q2ZK5GWH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336414 (4-amino-2,7-dimethyl-N-(6-methylpyridin-3-yl)quina...) Show SMILES Cc1ccc(NC(=O)c2c(C)ccc3c(N)nc(C)nc23)cn1 Show InChI InChI=1S/C17H17N5O/c1-9-4-7-13-15(20-11(3)21-16(13)18)14(9)17(23)22-12-6-5-10(2)19-8-12/h4-8H,1-3H3,(H,22,23)(H2,18,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.55E+3	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 PI3Kalpha by fluorescene polarization assay				Bioorg Med Chem Lett 21: 1270-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.026 BindingDB Entry DOI: 10.7270/Q2H1329M
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50336411 (4-amino-2,7-dimethyl-N-(1H-pyrazol-5-yl)quinazolin...) Show SMILES Cc1nc(N)c2ccc(C)c(C(=O)Nc3ccn[nH]3)c2n1 Show InChI InChI=1S/C14H14N6O/c1-7-3-4-9-12(17-8(2)18-13(9)15)11(7)14(21)19-10-5-6-16-20-10/h3-6H,1-2H3,(H2,15,17,18)(H2,16,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.55E+3	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 PI3Kalpha by fluorescene polarization assay				Bioorg Med Chem Lett 21: 1270-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.026 BindingDB Entry DOI: 10.7270/Q2H1329M
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50005781 (ALVESPIMYCIN | CHEBI:65324) Show SMILES CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,25,t:17,23,36| Show InChI InChI=1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9-,19-10+,21-16+/t18-,20+,25+,26+,28-,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Hsp90 in human MDA-MB-231 cells assessed as her2 degradation				Bioorg Med Chem Lett 18: 6273-8 (2008) Article DOI: 10.1016/j.bmcl.2008.09.081 BindingDB Entry DOI: 10.7270/Q29C717D
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50327907 (CHEMBL1257295 | trans-2-amino-8-(4-hydroxycyclohex...) Show SMILES Cc1ccc(cn1)-c1nc2c(C)nc(N)nc2n([C@H]2CC[C@H](O)CC2)c1=O |r,wU:21.23,wD:18.19,(6.09,-29.48,;4.76,-30.26,;4.77,-31.8,;3.44,-32.58,;2.1,-31.81,;2.09,-30.28,;3.42,-29.5,;.78,-32.59,;-.55,-31.83,;-1.88,-32.6,;-3.22,-31.84,;-3.22,-30.3,;-4.54,-32.61,;-4.55,-34.15,;-5.88,-34.92,;-3.21,-34.92,;-1.88,-34.14,;-.54,-34.91,;-.54,-36.45,;-1.87,-37.22,;-1.87,-38.76,;-.54,-39.53,;-.54,-41.07,;.79,-38.76,;.8,-37.22,;.79,-34.14,;2.13,-34.9,)| Show InChI InChI=1S/C19H22N6O2/c1-10-3-4-12(9-21-10)16-18(27)25(13-5-7-14(26)8-6-13)17-15(23-16)11(2)22-19(20)24-17/h3-4,9,13-14,26H,5-8H2,1-2H3,(H2,20,22,24)/t13-,14-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of AKT in human BT20 cells assessed as inhibition of S473 phosphorylation				Bioorg Med Chem Lett 20: 6096-9 (2010) Article DOI: 10.1016/j.bmcl.2010.08.045 BindingDB Entry DOI: 10.7270/Q2ZK5GWH
					More data for this Ligand-Target Pair

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