Compile Data Set for Download or QSAR

Found 2017 hits with Last Name = 'wunberg' and Initial = 't'   

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
GTPase KRas (Homo sapiens (Human))	BDBM50607576 (CHEMBL5218642) Show SMILES C[C@H]1CN(C)CCN1c1cc(cc(n1)-c1noc(n1)[C@@]1(C)CCCc2sc(N)c(C#N)c12)N1CCN(CC1)C(=O)C=C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	2.50E+3	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.2c01120 BindingDB Entry DOI: 10.7270/Q2CC14S5
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50607575 (CHEMBL5221087) Show SMILES C[C@@]1(CCCc2sc(N)c(C#N)c12)c1nc(no1)-c1cccc(c1)N1CCN(CC1)C(=O)C=C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.50E+3	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.2c01120 BindingDB Entry DOI: 10.7270/Q2CC14S5
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50607574 (CHEMBL5218841) Show SMILES C[C@@]1(CCCc2sc(N)c(C#N)c12)c1nc(no1)-c1cccc(NC(=O)C=C)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.60E+3	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.2c01120 BindingDB Entry DOI: 10.7270/Q2CC14S5
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50514402 (CHEMBL4535757 | US11345701, Compound Amg-510) Show SMILES CC(C)c1nccc(C)c1-n1c2nc(c(F)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F |r,wU:27.31,(31.19,-31.19,;32.52,-31.96,;32.53,-33.49,;33.85,-31.18,;35.18,-31.95,;36.51,-31.17,;36.5,-29.62,;35.16,-28.87,;35.15,-27.33,;33.84,-29.64,;32.51,-28.88,;32.5,-27.35,;33.85,-26.57,;33.84,-25.02,;32.5,-24.25,;32.5,-22.71,;31.17,-25.02,;31.17,-26.57,;29.84,-27.34,;29.84,-28.87,;31.17,-29.64,;29.83,-30.4,;28.51,-26.56,;28.52,-25.02,;27.2,-24.24,;25.86,-25,;25.85,-26.54,;27.19,-27.33,;27.18,-28.87,;24.53,-24.22,;24.54,-22.68,;23.19,-24.98,;21.85,-24.2,;35.17,-24.24,;36.51,-25.01,;36.51,-26.55,;37.84,-24.24,;37.84,-22.69,;36.49,-21.92,;35.16,-22.71,;33.82,-21.94,)| Show InChI InChI=1S/C30H30F2N6O3/c1-6-23(40)36-12-13-37(18(5)15-36)28-19-14-21(32)26(24-20(31)8-7-9-22(24)39)34-29(19)38(30(41)35-28)27-17(4)10-11-33-25(27)16(2)3/h6-11,14,16,18,39H,1,12-13,15H2,2-5H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.22E+4	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.2c01120 BindingDB Entry DOI: 10.7270/Q2CC14S5
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50607573 (CHEMBL5219918) Show SMILES C[C@@]1(CCCc2sc(N)c(C#N)c12)c1nc(no1)-c1ccc(NC(=O)C=C)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.41E+4	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.2c01120 BindingDB Entry DOI: 10.7270/Q2CC14S5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM116089 (US8633183, E-238) Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCN4CCC[C@H]4C3)c(Cl)c2)c1C#Cc1ccc(N)nc1 |r| Show InChI InChI=1S/C27H26ClFN6O/c1-2-23-20(7-5-17-6-8-24(30)31-14-17)26(33-16-32-23)18-12-21(28)25(22(29)13-18)27(36)35-11-10-34-9-3-4-19(34)15-35/h6,8,12-14,16,19H,2-4,9-11,15H2,1H3,(H2,30,31)/t19-/m0/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	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...				US Patent US8633183 (2014) BindingDB Entry DOI: 10.7270/Q2SX6BW4
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM108190 (US8598157, I-67) Show SMILES CCc1ncnc(N2CCN(CC2)S(C)(=O)=O)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C25H27FN6O4S2/c1-4-23-22(25(29-17-28-23)31-11-13-32(14-12-31)37(3,33)34)10-5-19-15-24(18(2)27-16-19)30-38(35,36)21-8-6-20(26)7-9-21/h6-9,15-17,30H,4,11-14H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	7.5
Boehringer Ingelheim International GmbH US Patent					Assay Description This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...				US Patent US8598157 (2013) BindingDB Entry DOI: 10.7270/Q2X928ZQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM116093 (US8633183, E-242) Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCC(CO)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 Show InChI InChI=1S/C26H25ClFN5O2/c1-2-22-19(5-3-16-4-6-23(29)30-13-16)25(32-15-31-22)18-11-20(27)24(21(28)12-18)26(35)33-9-7-17(14-34)8-10-33/h4,6,11-13,15,17,34H,2,7-10,14H2,1H3,(H2,29,30)	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...				US Patent US8633183 (2014) BindingDB Entry DOI: 10.7270/Q2SX6BW4
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM108193 (US8598157, I-70) Show SMILES C[C@H]1COCCN1c1ncnc(C)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccccc2)c1 |r| Show InChI InChI=1S/C24H25N5O3S/c1-17-15-32-12-11-29(17)24-22(18(2)26-16-27-24)10-9-20-13-23(19(3)25-14-20)28-33(30,31)21-7-5-4-6-8-21/h4-8,13-14,16-17,28H,11-12,15H2,1-3H3/t17-/m0/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	0.200	n/a	n/a	n/a	n/a	n/a	7.5
Boehringer Ingelheim International GmbH US Patent					Assay Description This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...				US Patent US8598157 (2013) BindingDB Entry DOI: 10.7270/Q2X928ZQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM116143 (US8633183, E-297) Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(Cc4cc(C)no4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 Show InChI InChI=1S/C29H27F2N7O2/c1-3-25-22(6-4-19-5-7-26(32)33-15-19)28(35-17-34-25)20-13-23(30)27(24(31)14-20)29(39)38-10-8-37(9-11-38)16-21-12-18(2)36-40-21/h5,7,12-15,17H,3,8-11,16H2,1-2H3,(H2,32,33)	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	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...				US Patent US8633183 (2014) BindingDB Entry DOI: 10.7270/Q2SX6BW4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM116092 (US8633183, E-241) Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCC(CC3)C(C)O)c(Cl)c2)c1C#Cc1ccc(N)nc1 Show InChI InChI=1S/C27H27ClFN5O2/c1-3-23-20(6-4-17-5-7-24(30)31-14-17)26(33-15-32-23)19-12-21(28)25(22(29)13-19)27(36)34-10-8-18(9-11-34)16(2)35/h5,7,12-16,18,35H,3,8-11H2,1-2H3,(H2,30,31)	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	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...				US Patent US8633183 (2014) BindingDB Entry DOI: 10.7270/Q2SX6BW4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM116090 (US8633183, E-239) Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C)C(=O)C3)c(Cl)c2)c1C#Cc1ccc(N)nc1 Show InChI InChI=1S/C25H22ClFN6O2/c1-3-20-17(6-4-15-5-7-21(28)29-12-15)24(31-14-30-20)16-10-18(26)23(19(27)11-16)25(35)33-9-8-32(2)22(34)13-33/h5,7,10-12,14H,3,8-9,13H2,1-2H3,(H2,28,29)	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	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...				US Patent US8633183 (2014) BindingDB Entry DOI: 10.7270/Q2SX6BW4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM115930 (US8633183, E-74) Show SMILES CCc1ncnc(-c2ccc(C(=O)N3CCCO3)c(Cl)c2)c1C#Cc1ccc(N)nc1 Show InChI InChI=1S/C23H20ClN5O2/c1-2-20-18(7-4-15-5-9-21(25)26-13-15)22(28-14-27-20)16-6-8-17(19(24)12-16)23(30)29-10-3-11-31-29/h5-6,8-9,12-14H,2-3,10-11H2,1H3,(H2,25,26)	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	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...				US Patent US8633183 (2014) BindingDB Entry DOI: 10.7270/Q2SX6BW4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM116147 (US8633183, E-301) Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CC3)C3CCCC3O)c(F)c2)c1C#Cc1ccc(N)nc1 Show InChI InChI=1S/C29H30F2N6O2/c1-2-23-20(8-6-18-7-9-26(32)33-16-18)28(35-17-34-23)19-14-21(30)27(22(31)15-19)29(39)37-12-10-36(11-13-37)24-4-3-5-25(24)38/h7,9,14-17,24-25,38H,2-5,10-13H2,1H3,(H2,32,33)	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	0.280	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...				US Patent US8633183 (2014) BindingDB Entry DOI: 10.7270/Q2SX6BW4
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM108163 (US8598157, I-40) Show SMILES Cc1ncc(cc1NS(=O)(=O)c1ccccc1)C#Cc1c(C)ncnc1N1CCOCC1 Show InChI InChI=1S/C23H23N5O3S/c1-17-21(23(26-16-25-17)28-10-12-31-13-11-28)9-8-19-14-22(18(2)24-15-19)27-32(29,30)20-6-4-3-5-7-20/h3-7,14-16,27H,10-13H2,1-2H3	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	0.280	n/a	n/a	n/a	n/a	n/a	7.5
Boehringer Ingelheim International GmbH US Patent					Assay Description This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...				US Patent US8598157 (2013) BindingDB Entry DOI: 10.7270/Q2X928ZQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM116091 (US8633183, E-240) Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CC(C)(C)O)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 Show InChI InChI=1S/C28H30ClFN6O2/c1-4-23-20(7-5-18-6-8-24(31)32-15-18)26(34-17-33-23)19-13-21(29)25(22(30)14-19)27(37)36-11-9-35(10-12-36)16-28(2,3)38/h6,8,13-15,17,38H,4,9-12,16H2,1-3H3,(H2,31,32)	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	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...				US Patent US8633183 (2014) BindingDB Entry DOI: 10.7270/Q2SX6BW4
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM108207 (US8598157, I-84) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(Cl)cc1)C#Cc1c(C)ncnc1N1CCOCC1 Show InChI InChI=1S/C23H22ClN5O4S/c1-16-20(22(27-15-26-16)29-9-11-33-12-10-29)8-3-17-13-21(23(32-2)25-14-17)28-34(30,31)19-6-4-18(24)5-7-19/h4-7,13-15,28H,9-12H2,1-2H3	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	0.300	n/a	n/a	n/a	n/a	n/a	7.5
Boehringer Ingelheim International GmbH US Patent					Assay Description This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...				US Patent US8598157 (2013) BindingDB Entry DOI: 10.7270/Q2X928ZQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM116154 (US8633183, E-308) Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CC3)C3CCCC3O)c(Cl)c2)c1C#Cc1ccc(N)nc1 Show InChI InChI=1S/C29H30ClFN6O2/c1-2-23-20(8-6-18-7-9-26(32)33-16-18)28(35-17-34-23)19-14-21(30)27(22(31)15-19)29(39)37-12-10-36(11-13-37)24-4-3-5-25(24)38/h7,9,14-17,24-25,38H,2-5,10-13H2,1H3,(H2,32,33)	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	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...				US Patent US8633183 (2014) BindingDB Entry DOI: 10.7270/Q2SX6BW4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM115862 (US8633183, E-6) Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CC3)C3CCOCC3)c(F)c2)c1C#Cc1ccc(N)nc1 Show InChI InChI=1S/C29H30F2N6O2/c1-2-25-22(5-3-19-4-6-26(32)33-17-19)28(35-18-34-25)20-15-23(30)27(24(31)16-20)29(38)37-11-9-36(10-12-37)21-7-13-39-14-8-21/h4,6,15-18,21H,2,7-14H2,1H3,(H2,32,33)	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	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...				US Patent US8633183 (2014) BindingDB Entry DOI: 10.7270/Q2SX6BW4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM115937 (US8633183, E-81) Show SMILES CCc1ncnc(-c2ccc(C(=O)N3CCN(CC3)S(=O)(=O)CC)c(Cl)c2)c1C#Cc1ccc(N)nc1 Show InChI InChI=1S/C26H27ClN6O3S/c1-3-23-21(8-5-18-6-10-24(28)29-16-18)25(31-17-30-23)19-7-9-20(22(27)15-19)26(34)32-11-13-33(14-12-32)37(35,36)4-2/h6-7,9-10,15-17H,3-4,11-14H2,1-2H3,(H2,28,29)	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	0.360	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...				US Patent US8633183 (2014) BindingDB Entry DOI: 10.7270/Q2SX6BW4
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM108208 (US8598157, I-85) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(Cl)s1)C#Cc1c(C)ncnc1N1CCOCC1 Show InChI InChI=1S/C21H20ClN5O4S2/c1-14-16(20(25-13-24-14)27-7-9-31-10-8-27)4-3-15-11-17(21(30-2)23-12-15)26-33(28,29)19-6-5-18(22)32-19/h5-6,11-13,26H,7-10H2,1-2H3	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	0.380	n/a	n/a	n/a	n/a	n/a	7.5
Boehringer Ingelheim International GmbH US Patent					Assay Description This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...				US Patent US8598157 (2013) BindingDB Entry DOI: 10.7270/Q2X928ZQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM116158 (US8633183, E-312) Show SMILES CCc1ncnc(-c2ccc(C(=O)N3CCN(Cc4cc(C)no4)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 Show InChI InChI=1S/C29H28ClN7O2/c1-3-26-24(7-4-20-5-9-27(31)32-16-20)28(34-18-33-26)21-6-8-23(25(30)15-21)29(38)37-12-10-36(11-13-37)17-22-14-19(2)35-39-22/h5-6,8-9,14-16,18H,3,10-13,17H2,1-2H3,(H2,31,32)	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	0.390	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...				US Patent US8633183 (2014) BindingDB Entry DOI: 10.7270/Q2SX6BW4
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM108209 (US8598157, I-86) Show SMILES COc1ncc(cc1NS(=O)(=O)c1cccs1)C#Cc1c(C)ncnc1N1CCOCC1 Show InChI InChI=1S/C21H21N5O4S2/c1-15-17(20(24-14-23-15)26-7-9-30-10-8-26)6-5-16-12-18(21(29-2)22-13-16)25-32(27,28)19-4-3-11-31-19/h3-4,11-14,25H,7-10H2,1-2H3	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	0.390	n/a	n/a	n/a	n/a	n/a	7.5
Boehringer Ingelheim International GmbH US Patent					Assay Description This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...				US Patent US8598157 (2013) BindingDB Entry DOI: 10.7270/Q2X928ZQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM115865 (US8633183, E-9) Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCC(CC3)N3CCOCC3)c(F)c2)c1C#Cc1ccc(N)nc1 Show InChI InChI=1S/C29H30F2N6O2/c1-2-25-22(5-3-19-4-6-26(32)33-17-19)28(35-18-34-25)20-15-23(30)27(24(31)16-20)29(38)37-9-7-21(8-10-37)36-11-13-39-14-12-36/h4,6,15-18,21H,2,7-14H2,1H3,(H2,32,33)	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...				US Patent US8633183 (2014) BindingDB Entry DOI: 10.7270/Q2SX6BW4
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM108124 (US8598157, I-1) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccccc1)C#Cc1c(C)ncnc1N1CCOCC1 Show InChI InChI=1S/C23H23N5O4S/c1-17-20(22(26-16-25-17)28-10-12-32-13-11-28)9-8-18-14-21(23(31-2)24-15-18)27-33(29,30)19-6-4-3-5-7-19/h3-7,14-16,27H,10-13H2,1-2H3	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	0.400	n/a	n/a	n/a	n/a	n/a	7.5
Boehringer Ingelheim International GmbH US Patent					Assay Description This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...				US Patent US8598157 (2013) BindingDB Entry DOI: 10.7270/Q2X928ZQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM108153 (US8598157, I-30) Show SMILES Cc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)C#Cc1c(C)ncnc1N1CCOCC1 Show InChI InChI=1S/C23H22FN5O3S/c1-16-21(23(27-15-26-16)29-9-11-32-12-10-29)8-3-18-13-22(17(2)25-14-18)28-33(30,31)20-6-4-19(24)5-7-20/h4-7,13-15,28H,9-12H2,1-2H3	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	0.430	n/a	n/a	n/a	n/a	n/a	7.5
Boehringer Ingelheim International GmbH US Patent					Assay Description This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...				US Patent US8598157 (2013) BindingDB Entry DOI: 10.7270/Q2X928ZQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM108152 (US8598157, I-29) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)C#Cc1c(C)ncnc1N1CCOCC1 Show InChI InChI=1S/C23H21F2N5O4S/c1-15-18(22(28-14-27-15)30-7-9-34-10-8-30)5-3-16-11-20(23(33-2)26-13-16)29-35(31,32)21-6-4-17(24)12-19(21)25/h4,6,11-14,29H,7-10H2,1-2H3	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	0.440	n/a	n/a	n/a	n/a	n/a	7.5
Boehringer Ingelheim International GmbH US Patent					Assay Description This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...				US Patent US8598157 (2013) BindingDB Entry DOI: 10.7270/Q2X928ZQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM108179 (US8598157, I-56) Show SMILES Cc1ncc(cc1NS(=O)(=O)c1ccnn1C)C#Cc1c(C)ncnc1N1CCOCC1 Show InChI InChI=1S/C21H23N7O3S/c1-15-18(21(24-14-23-15)28-8-10-31-11-9-28)5-4-17-12-19(16(2)22-13-17)26-32(29,30)20-6-7-25-27(20)3/h6-7,12-14,26H,8-11H2,1-3H3	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	0.440	n/a	n/a	n/a	n/a	n/a	7.5
Boehringer Ingelheim International GmbH US Patent					Assay Description This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...				US Patent US8598157 (2013) BindingDB Entry DOI: 10.7270/Q2X928ZQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM108206 (US8598157, I-83) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccccc1C(F)(F)F)C#Cc1c(C)ncnc1N1CCOCC1 Show InChI InChI=1S/C24H22F3N5O4S/c1-16-18(22(30-15-29-16)32-9-11-36-12-10-32)8-7-17-13-20(23(35-2)28-14-17)31-37(33,34)21-6-4-3-5-19(21)24(25,26)27/h3-6,13-15,31H,9-12H2,1-2H3	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	0.440	n/a	n/a	n/a	n/a	n/a	7.5
Boehringer Ingelheim International GmbH US Patent					Assay Description This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...				US Patent US8598157 (2013) BindingDB Entry DOI: 10.7270/Q2X928ZQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM108210 (US8598157, I-87) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccnn1C)C#Cc1c(C)ncnc1N1CCOCC1 Show InChI InChI=1S/C21H23N7O4S/c1-15-17(20(24-14-23-15)28-8-10-32-11-9-28)5-4-16-12-18(21(31-3)22-13-16)26-33(29,30)19-6-7-25-27(19)2/h6-7,12-14,26H,8-11H2,1-3H3	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	0.450	n/a	n/a	n/a	n/a	n/a	7.5
Boehringer Ingelheim International GmbH US Patent					Assay Description This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...				US Patent US8598157 (2013) BindingDB Entry DOI: 10.7270/Q2X928ZQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM116153 (US8633183, E-307) Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(Cc4nc(C)c(C)o4)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 Show InChI InChI=1S/C30H29ClFN7O2/c1-4-25-22(7-5-20-6-8-26(33)34-15-20)29(36-17-35-25)21-13-23(31)28(24(32)14-21)30(40)39-11-9-38(10-12-39)16-27-37-18(2)19(3)41-27/h6,8,13-15,17H,4,9-12,16H2,1-3H3,(H2,33,34)	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	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...				US Patent US8633183 (2014) BindingDB Entry DOI: 10.7270/Q2SX6BW4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM116192 (US8633183, E-346) Show SMILES CCc1ncnc(-c2ccc(C(=O)N3CCN(Cc4ncon4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 Show InChI InChI=1S/C27H25FN8O2/c1-2-23-21(6-3-18-4-8-24(29)30-14-18)26(32-16-31-23)19-5-7-20(22(28)13-19)27(37)36-11-9-35(10-12-36)15-25-33-17-38-34-25/h4-5,7-8,13-14,16-17H,2,9-12,15H2,1H3,(H2,29,30)	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	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...				US Patent US8633183 (2014) BindingDB Entry DOI: 10.7270/Q2SX6BW4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM115928 (US8633183, E-72) Show SMILES CCc1ncnc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 Show InChI InChI=1S/C24H22ClN5O2/c1-2-21-19(6-3-16-4-8-22(26)27-14-16)23(29-15-28-21)17-5-7-18(20(25)13-17)24(31)30-9-11-32-12-10-30/h4-5,7-8,13-15H,2,9-12H2,1H3,(H2,26,27)	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	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...				US Patent US8633183 (2014) BindingDB Entry DOI: 10.7270/Q2SX6BW4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM116105 (US8633183, E-255) Show SMILES CCc1ncnc(-c2ccc(C(=O)N3CCn4cnnc4C3)c(Cl)c2)c1C#Cc1ccc(N)nc1 Show InChI InChI=1S/C25H21ClN8O/c1-2-21-19(6-3-16-4-8-22(27)28-12-16)24(30-14-29-21)17-5-7-18(20(26)11-17)25(35)33-9-10-34-15-31-32-23(34)13-33/h4-5,7-8,11-12,14-15H,2,9-10,13H2,1H3,(H2,27,28)	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	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...				US Patent US8633183 (2014) BindingDB Entry DOI: 10.7270/Q2SX6BW4
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM108142 (US8598157, I-19) Show SMILES Cc1ncnc(N2CCOCC2)c1C#Cc1cncc(NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C22H21N5O3S/c1-17-21(22(25-16-24-17)27-9-11-30-12-10-27)8-7-18-13-19(15-23-14-18)26-31(28,29)20-5-3-2-4-6-20/h2-6,13-16,26H,9-12H2,1H3	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	0.460	n/a	n/a	n/a	n/a	n/a	7.5
Boehringer Ingelheim International GmbH US Patent					Assay Description This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...				US Patent US8598157 (2013) BindingDB Entry DOI: 10.7270/Q2X928ZQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM108143 (US8598157, I-20) Show SMILES Cc1ncnc(N2CCOCC2)c1C#Cc1cncc(NS(=O)(=O)c2ccc(F)cc2F)c1 Show InChI InChI=1S/C22H19F2N5O3S/c1-15-19(22(27-14-26-15)29-6-8-32-9-7-29)4-2-16-10-18(13-25-12-16)28-33(30,31)21-5-3-17(23)11-20(21)24/h3,5,10-14,28H,6-9H2,1H3	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	0.460	n/a	n/a	n/a	n/a	n/a	7.5
Boehringer Ingelheim International GmbH US Patent					Assay Description This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...				US Patent US8598157 (2013) BindingDB Entry DOI: 10.7270/Q2X928ZQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM108175 (US8598157, I-52) Show SMILES Cc1ncc(cc1NS(=O)(=O)c1ccc(Cl)s1)C#Cc1c(C)ncnc1N1CCOCC1 Show InChI InChI=1S/C21H20ClN5O3S2/c1-14-17(21(25-13-24-14)27-7-9-30-10-8-27)4-3-16-11-18(15(2)23-12-16)26-32(28,29)20-6-5-19(22)31-20/h5-6,11-13,26H,7-10H2,1-2H3	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	0.470	n/a	n/a	n/a	n/a	n/a	7.5
Boehringer Ingelheim International GmbH US Patent					Assay Description This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...				US Patent US8598157 (2013) BindingDB Entry DOI: 10.7270/Q2X928ZQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM116095 (US8633183, E-245) Show SMILES CCc1ncnc(-c2ccc(C(=O)N3CCN(CC3)C3CCC3)c(F)c2)c1C#Cc1ccc(N)nc1 Show InChI InChI=1S/C28H29FN6O/c1-2-25-23(9-6-19-7-11-26(30)31-17-19)27(33-18-32-25)20-8-10-22(24(29)16-20)28(36)35-14-12-34(13-15-35)21-4-3-5-21/h7-8,10-11,16-18,21H,2-5,12-15H2,1H3,(H2,30,31)	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	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...				US Patent US8633183 (2014) BindingDB Entry DOI: 10.7270/Q2SX6BW4
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM108191 (US8598157, I-68) Show SMILES CCc1ncnc(N2CCN(CC2)C(C)=O)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C26H27FN6O3S/c1-4-24-23(26(30-17-29-24)33-13-11-32(12-14-33)19(3)34)10-5-20-15-25(18(2)28-16-20)31-37(35,36)22-8-6-21(27)7-9-22/h6-9,15-17,31H,4,11-14H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	7.5
Boehringer Ingelheim International GmbH US Patent					Assay Description This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...				US Patent US8598157 (2013) BindingDB Entry DOI: 10.7270/Q2X928ZQ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM108189 (US8598157, I-66) Show SMILES CCc1ncnc(N2CCC(O)CC2)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C25H26FN5O3S/c1-3-23-22(25(29-16-28-23)31-12-10-20(32)11-13-31)9-4-18-14-24(17(2)27-15-18)30-35(33,34)21-7-5-19(26)6-8-21/h5-8,14-16,20,30,32H,3,10-13H2,1-2H3	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	n/a	7.5
Boehringer Ingelheim International GmbH US Patent					Assay Description This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...				US Patent US8598157 (2013) BindingDB Entry DOI: 10.7270/Q2X928ZQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM116146 (US8633183, E-300) Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(Cc4nc(C)c(C)o4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 Show InChI InChI=1S/C30H29F2N7O2/c1-4-25-22(7-5-20-6-8-26(33)34-15-20)29(36-17-35-25)21-13-23(31)28(24(32)14-21)30(40)39-11-9-38(10-12-39)16-27-37-18(2)19(3)41-27/h6,8,13-15,17H,4,9-12,16H2,1-3H3,(H2,33,34)	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	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...				US Patent US8633183 (2014) BindingDB Entry DOI: 10.7270/Q2SX6BW4
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM108205 (US8598157, I-82) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccccc1OC(F)(F)F)C#Cc1c(C)ncnc1N1CCOCC1 Show InChI InChI=1S/C24H22F3N5O5S/c1-16-18(22(30-15-29-16)32-9-11-36-12-10-32)8-7-17-13-19(23(35-2)28-14-17)31-38(33,34)21-6-4-3-5-20(21)37-24(25,26)27/h3-6,13-15,31H,9-12H2,1-2H3	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	0.5	n/a	n/a	n/a	n/a	n/a	7.5
Boehringer Ingelheim International GmbH US Patent					Assay Description This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...				US Patent US8598157 (2013) BindingDB Entry DOI: 10.7270/Q2X928ZQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM116007 (US8633183, E-156) Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCn4ccnc4C3)c(Cl)c2)c1C#Cc1ccc(N)nc1 Show InChI InChI=1S/C26H21ClFN7O/c1-2-21-18(5-3-16-4-6-22(29)31-13-16)25(33-15-32-21)17-11-19(27)24(20(28)12-17)26(36)35-10-9-34-8-7-30-23(34)14-35/h4,6-8,11-13,15H,2,9-10,14H2,1H3,(H2,29,31)	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	0.510	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...				US Patent US8633183 (2014) BindingDB Entry DOI: 10.7270/Q2SX6BW4
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM108164 (US8598157, I-41) Show SMILES Cc1ncnc(N2CCOCC2)c1C#Cc1c[nH]c(=O)c(NS(=O)(=O)c2ccc(F)cc2F)c1 Show InChI InChI=1S/C22H19F2N5O4S/c1-14-17(21(27-13-26-14)29-6-8-33-9-7-29)4-2-15-10-19(22(30)25-12-15)28-34(31,32)20-5-3-16(23)11-18(20)24/h3,5,10-13,28H,6-9H2,1H3,(H,25,30)	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	0.510	n/a	n/a	n/a	n/a	n/a	7.5
Boehringer Ingelheim International GmbH US Patent					Assay Description This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...				US Patent US8598157 (2013) BindingDB Entry DOI: 10.7270/Q2X928ZQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM116157 (US8633183, E-311) Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCC4(CC(=O)CO4)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 Show InChI InChI=1S/C28H25ClFN5O3/c1-2-23-20(5-3-17-4-6-24(31)32-14-17)26(34-16-33-23)18-11-21(29)25(22(30)12-18)27(37)35-9-7-28(8-10-35)13-19(36)15-38-28/h4,6,11-12,14,16H,2,7-10,13,15H2,1H3,(H2,31,32)	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	0.520	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...				US Patent US8633183 (2014) BindingDB Entry DOI: 10.7270/Q2SX6BW4
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM108212 (US8598157, I-89) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(C)o1)C#Cc1c(C)ncnc1N1CCOCC1 Show InChI InChI=1S/C22H23N5O5S/c1-15-4-7-20(32-15)33(28,29)26-19-12-17(13-23-22(19)30-3)5-6-18-16(2)24-14-25-21(18)27-8-10-31-11-9-27/h4,7,12-14,26H,8-11H2,1-3H3	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	0.530	n/a	n/a	n/a	n/a	n/a	7.5
Boehringer Ingelheim International GmbH US Patent					Assay Description This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...				US Patent US8598157 (2013) BindingDB Entry DOI: 10.7270/Q2X928ZQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM116010 (US8633183, E-159) Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCC4(COC4)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 Show InChI InChI=1S/C27H25ClFN5O2/c1-2-22-19(5-3-17-4-6-23(30)31-13-17)25(33-16-32-22)18-11-20(28)24(21(29)12-18)26(35)34-9-7-27(8-10-34)14-36-15-27/h4,6,11-13,16H,2,7-10,14-15H2,1H3,(H2,30,31)	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	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...				US Patent US8633183 (2014) BindingDB Entry DOI: 10.7270/Q2SX6BW4
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM108144 (US8598157, I-21) Show SMILES Cc1ncnc(N2CCOCC2)c1C#Cc1cncc(NS(=O)(=O)c2cccs2)c1 Show InChI InChI=1S/C20H19N5O3S2/c1-15-18(20(23-14-22-15)25-6-8-28-9-7-25)5-4-16-11-17(13-21-12-16)24-30(26,27)19-3-2-10-29-19/h2-3,10-14,24H,6-9H2,1H3	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	0.530	n/a	n/a	n/a	n/a	n/a	7.5
Boehringer Ingelheim International GmbH US Patent					Assay Description This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...				US Patent US8598157 (2013) BindingDB Entry DOI: 10.7270/Q2X928ZQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM115999 (US8633183, E-147) Show SMILES CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CCCS(C)(=O)=O)CC3)c(F)c2)c1C#Cc1ccc(N)nc1 Show InChI InChI=1S/C28H30F2N6O3S/c1-3-24-21(7-5-19-6-8-25(31)32-17-19)27(34-18-33-24)20-15-22(29)26(23(30)16-20)28(37)36-12-10-35(11-13-36)9-4-14-40(2,38)39/h6,8,15-18H,3-4,9-14H2,1-2H3,(H2,31,32)	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	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Flu...				US Patent US8633183 (2014) BindingDB Entry DOI: 10.7270/Q2SX6BW4
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM108165 (US8598157, I-42) Show SMILES CCc1ncnc(N2CCC(C)(O)CC2)c1C#Cc1cnc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C21H27N5O3S/c1-5-18-17(20(24-14-23-18)26-10-8-21(3,27)9-11-26)7-6-16-12-19(15(2)22-13-16)25-30(4,28)29/h12-14,25,27H,5,8-11H2,1-4H3	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	0.550	n/a	n/a	n/a	n/a	n/a	7.5
Boehringer Ingelheim International GmbH US Patent					Assay Description This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...				US Patent US8598157 (2013) BindingDB Entry DOI: 10.7270/Q2X928ZQ
					More data for this Ligand-Target Pair

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