Compile Data Set for Download or QSAR

Found 917 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 872   

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 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295053 (US10112926, Example 8.1 | US10112926, Example 8.2) Show SMILES Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC2(C[C@H](O)C2)C1 |r,wU:24.26,28.31,(5.15,-7.55,;4.38,-6.22,;5.29,-4.97,;4.38,-3.73,;2.92,-4.2,;2.92,-5.74,;1.59,-3.43,;.25,-4.2,;-1.08,-3.43,;-1.08,-1.89,;.25,-1.12,;1.59,-1.89,;2.92,-1.12,;-2.42,-4.2,;-2.42,-5.74,;-3.75,-6.51,;-5.08,-5.74,;-5.08,-4.2,;-3.75,-3.43,;-3.75,-1.89,;-3.75,-8.05,;-2.21,-8.05,;-5.29,-8.05,;-3.75,-9.59,;-2.42,-10.36,;-.93,-9.97,;-.53,-11.45,;-.13,-12.94,;1.36,-12.54,;2.69,-13.31,;.96,-11.05,;-2.02,-11.85,)| Show InChI InChI=1S/C22H25N5O4S/c1-12-3-4-17(32(29,30)27-15-7-22(8-15)9-16(28)10-22)6-18(12)14-5-19(20(23)24-11-14)21-25-13(2)26-31-21/h3-6,11,15-16,27-28H,7-10H2,1-2H3,(H2,23,24)/t15-,16-,22?	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295193 (US10112926, Example 77 | trans-3-(2-Amino-2′...) Show SMILES Cc1cc(ccn1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](CO)CC1 |r,wU:25.27,wD:28.31,(8.67,3.46,;7.34,2.69,;6,3.47,;4.67,2.69,;4.67,1.16,;6,.38,;7.34,1.16,;3.33,3.47,;2,2.7,;.67,3.47,;.67,5,;2,5.77,;3.33,5,;4.67,5.78,;-.67,2.69,;-.67,1.15,;-2,.38,;-3.33,1.15,;-3.33,2.69,;-2,3.46,;-2,5,;-2,-1.16,;-3.54,-1.16,;-.46,-1.16,;-2,-2.7,;-3.33,-3.47,;-3.33,-5.01,;-4.67,-5.78,;-6,-5.01,;-7.34,-5.78,;-8.67,-5.01,;-6,-3.47,;-4.67,-2.69,)| Show InChI InChI=1S/C25H30N4O3S/c1-16-3-8-22(33(31,32)29-21-6-4-18(15-30)5-7-21)13-23(16)20-12-24(25(26)28-14-20)19-9-10-27-17(2)11-19/h3,8-14,18,21,29-30H,4-7,15H2,1-2H3,(H2,26,28)/t18-,21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295239 (3-(6-amino-5-(2- methyloxazol-5- yl)pyridin-3-yl)-...) Show SMILES Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](CO)CC1 |r,wU:27.30,wD:24.26,(6.06,1.93,;4.52,1.93,;3.61,.68,;2.15,1.15,;2.15,2.69,;3.61,3.17,;.82,3.47,;-.52,2.69,;-1.85,3.47,;-1.85,5,;-.52,5.78,;.82,5,;2.15,5.78,;-3.19,2.69,;-3.19,1.15,;-4.52,.38,;-5.85,1.15,;-5.85,2.69,;-4.52,3.47,;-4.52,5,;-4.52,-1.15,;-6.06,-1.15,;-2.98,-1.15,;-4.52,-2.69,;-3.19,-3.47,;-3.19,-5,;-1.85,-5.78,;-.52,-5,;.82,-5.78,;2.15,-5,;-.52,-3.47,;-1.85,-2.69,)| Show InChI InChI=1S/C23H28N4O4S/c1-14-3-8-19(32(29,30)27-18-6-4-16(13-28)5-7-18)10-20(14)17-9-21(23(24)26-11-17)22-12-25-15(2)31-22/h3,8-12,16,18,27-28H,4-7,13H2,1-2H3,(H2,24,26)/t16-,18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295053 (US10112926, Example 8.1 | US10112926, Example 8.2) Show SMILES Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC2(C[C@H](O)C2)C1 |r,wU:24.26,28.31,(5.15,-7.55,;4.38,-6.22,;5.29,-4.97,;4.38,-3.73,;2.92,-4.2,;2.92,-5.74,;1.59,-3.43,;.25,-4.2,;-1.08,-3.43,;-1.08,-1.89,;.25,-1.12,;1.59,-1.89,;2.92,-1.12,;-2.42,-4.2,;-2.42,-5.74,;-3.75,-6.51,;-5.08,-5.74,;-5.08,-4.2,;-3.75,-3.43,;-3.75,-1.89,;-3.75,-8.05,;-2.21,-8.05,;-5.29,-8.05,;-3.75,-9.59,;-2.42,-10.36,;-.93,-9.97,;-.53,-11.45,;-.13,-12.94,;1.36,-12.54,;2.69,-13.31,;.96,-11.05,;-2.02,-11.85,)| Show InChI InChI=1S/C22H25N5O4S/c1-12-3-4-17(32(29,30)27-15-7-22(8-15)9-16(28)10-22)6-18(12)14-5-19(20(23)24-11-14)21-25-13(2)26-31-21/h3-6,11,15-16,27-28H,7-10H2,1-2H3,(H2,23,24)/t15-,16-,22?	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295065 (US10112926, Example 19 | trans 3-[6-Amino-5-(3-met...) Show SMILES Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](CO)CC1 |r,wU:24.26,wD:27.30,(5.5,-.1,;4.73,1.23,;5.2,2.69,;3.96,3.6,;2.71,2.69,;3.19,1.23,;1.38,3.47,;.04,2.69,;-1.29,3.47,;-1.29,5,;.04,5.78,;1.38,5,;2.71,5.78,;-2.62,2.69,;-2.62,1.15,;-3.96,.38,;-5.29,1.15,;-5.29,2.69,;-3.96,3.47,;-3.96,5,;-3.96,-1.15,;-2.42,-1.15,;-5.5,-1.15,;-3.96,-2.69,;-2.62,-3.47,;-1.29,-2.69,;.04,-3.47,;.04,-5,;1.38,-5.78,;2.71,-5,;-1.29,-5.78,;-2.62,-5,)| Show InChI InChI=1S/C22H27N5O4S/c1-13-3-8-18(32(29,30)27-17-6-4-15(12-28)5-7-17)10-19(13)16-9-20(21(23)24-11-16)22-25-14(2)26-31-22/h3,8-11,15,17,27-28H,4-7,12H2,1-2H3,(H2,23,24)/t15-,17-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295097 (3-(6-Amino-5-(2-methylthiazol-5-yl)pyridin-3-yl)-N...) Show SMILES Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CC2(CC(O)C2)C1 |(9.15,-3.6,;7.61,-3.6,;6.7,-4.85,;5.24,-4.37,;5.24,-2.83,;6.7,-2.36,;3.91,-2.06,;2.57,-2.83,;1.24,-2.06,;1.24,-.52,;2.57,.25,;3.91,-.52,;5.24,.25,;-.1,-2.83,;-1.43,-2.06,;-2.76,-2.83,;-2.76,-4.37,;-1.43,-5.14,;-.1,-4.37,;1.24,-5.14,;-4.1,-2.06,;-4.1,-.52,;-4.87,-3.4,;-5.43,-1.29,;-6.2,.04,;-7.69,.44,;-7.29,1.92,;-6.89,3.41,;-8.38,3.81,;-9.15,5.14,;-8.78,2.32,;-5.8,1.53,)| Show InChI InChI=1S/C23H26N4O3S2/c1-13-3-4-18(32(29,30)27-16-7-23(8-16)9-17(28)10-23)6-19(13)15-5-20(22(24)26-11-15)21-12-25-14(2)31-21/h3-6,11-12,16-17,27-28H,7-10H2,1-2H3,(H2,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295247 (3-(6-amino-5-(2-methyloxazol-5-yl)pyridin-3-yl)-N-...) Show SMILES Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NOCC(C)(C)O Show InChI InChI=1S/C20H24N4O5S/c1-12-5-6-15(30(26,27)24-28-11-20(3,4)25)8-16(12)14-7-17(19(21)23-9-14)18-10-22-13(2)29-18/h5-10,24-25H,11H2,1-4H3,(H2,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295159 (3-(6-Amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridi...) Show SMILES CCCONS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1nc(C)no1 Show InChI InChI=1S/C18H21N5O4S/c1-4-7-26-23-28(24,25)14-6-5-11(2)15(9-14)13-8-16(17(19)20-10-13)18-21-12(3)22-27-18/h5-6,8-10,23H,4,7H2,1-3H3,(H2,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295144 (3-(6-Amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridi...) Show SMILES Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC1(O)CCCCC1 Show InChI InChI=1S/C23H29N5O4S/c1-15-6-7-18(33(30,31)26-11-10-23(29)8-4-3-5-9-23)13-19(15)17-12-20(21(24)25-14-17)22-27-16(2)28-32-22/h6-7,12-14,26,29H,3-5,8-11H2,1-2H3,(H2,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295209 (5-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-...) Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(c(Cl)cc1C)S(=O)(=O)NCC(C)(C)O Show InChI InChI=1S/C20H23ClN4O4S/c1-11-5-16(21)18(30(27,28)24-10-20(3,4)26)8-14(11)13-7-15(19(22)23-9-13)17-6-12(2)25-29-17/h5-9,24,26H,10H2,1-4H3,(H2,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295052 (3-[6-Amino-5-(3-methyl-[1,2,4]oxadiazol-5-yl)-pyri...) Show SMILES Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CC2(CC(O)C2)C1 |(5.15,-.34,;4.38,1,;5.29,2.24,;4.38,3.49,;2.92,3.01,;2.92,1.47,;1.59,3.78,;.25,3.01,;-1.08,3.78,;-1.08,5.32,;.25,6.09,;1.59,5.32,;2.92,6.09,;-2.42,3.01,;-2.42,1.47,;-3.75,.7,;-5.08,1.47,;-5.08,3.01,;-3.75,3.78,;-3.75,5.32,;-3.75,-.84,;-2.21,-.84,;-5.29,-.84,;-3.75,-2.38,;-2.42,-3.15,;-2.02,-4.63,;-.53,-4.23,;-.13,-5.72,;1.36,-5.32,;2.69,-6.09,;.96,-3.84,;-.93,-2.75,)| Show InChI InChI=1S/C22H25N5O4S/c1-12-3-4-17(32(29,30)27-15-7-22(8-15)9-16(28)10-22)6-18(12)14-5-19(20(23)24-11-14)21-25-13(2)26-31-21/h3-6,11,15-16,27-28H,7-10H2,1-2H3,(H2,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295089 (US10112926, Example 21b) Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NO[C@@H]1CCOC1 |r| Show InChI InChI=1S/C20H22N4O5S/c1-12-3-4-16(30(25,26)24-28-15-5-6-27-11-15)9-17(12)14-8-18(20(21)22-10-14)19-7-13(2)23-29-19/h3-4,7-10,15,24H,5-6,11H2,1-2H3,(H2,21,22)/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295129 (3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-...) Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC1(O)CCCC1 Show InChI InChI=1S/C23H28N4O4S/c1-15-5-6-18(32(29,30)26-10-9-23(28)7-3-4-8-23)13-19(15)17-12-20(22(24)25-14-17)21-11-16(2)27-31-21/h5-6,11-14,26,28H,3-4,7-10H2,1-2H3,(H2,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295057 (3-[6-Amino-5-(3-methyl-[1,2,4]oxadiazol-5-yl)-pyri...) Show SMILES Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NOCC(C)(C)O Show InChI InChI=1S/C19H23N5O5S/c1-11-5-6-14(30(26,27)24-28-10-19(3,4)25)8-15(11)13-7-16(17(20)21-9-13)18-22-12(2)23-29-18/h5-9,24-25H,10H2,1-4H3,(H2,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295103 (3-(6-Amino-5-(1-(2,2,2-trifluoroethyl)-1H-pyrazol-...) Show SMILES Cc1ccc(cc1-c1cnc(N)c(c1)-c1cnn(CC(F)(F)F)c1)S(=O)(=O)NOCC(C)(C)O Show InChI InChI=1S/C21H24F3N5O4S/c1-13-4-5-16(34(31,32)28-33-12-20(2,3)30)7-17(13)14-6-18(19(25)26-8-14)15-9-27-29(10-15)11-21(22,23)24/h4-10,28,30H,11-12H2,1-3H3,(H2,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295087 (3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-...) Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NOCC(C)(C)O Show InChI InChI=1S/C20H24N4O5S/c1-12-5-6-15(30(26,27)24-28-11-20(3,4)25)9-16(12)14-8-17(19(21)22-10-14)18-7-13(2)23-29-18/h5-10,24-25H,11H2,1-4H3,(H2,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	80	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295257 (3-(6-amino-5-(2- methyloxazol-5- yl)pyridin-3-yl)-...) Show SMILES Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CCC(O)(C1)C(F)(F)F Show InChI InChI=1S/C22H23F3N4O4S/c1-12-3-4-16(34(31,32)29-15-5-6-21(30,9-15)22(23,24)25)8-17(12)14-7-18(20(26)28-10-14)19-11-27-13(2)33-19/h3-4,7-8,10-11,15,29-30H,5-6,9H2,1-2H3,(H2,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	80	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295042 (3-[6-Amino-5-(3-methyl-[1,2,4]oxadiazol-5-yl)-pyri...) Show SMILES Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O Show InChI InChI=1S/C20H25N5O4S/c1-12-5-6-15(30(27,28)23-8-7-20(3,4)26)10-16(12)14-9-17(18(21)22-11-14)19-24-13(2)25-29-19/h5-6,9-11,23,26H,7-8H2,1-4H3,(H2,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	80	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295170 (US10112926, Example 55 | trans-3-(6-Amino-5-(3-met...) Show SMILES Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NO[C@H]1C[C@H](O)C1 |r,wU:27.30,wD:25.27,(7.68,-1.27,;6.91,.07,;7.81,1.31,;6.91,2.56,;5.45,2.08,;5.45,.54,;4.11,2.85,;2.78,2.08,;1.44,2.85,;1.44,4.39,;2.78,5.16,;4.11,4.39,;5.45,5.16,;.11,2.08,;.11,.54,;-1.22,-.23,;-2.56,.54,;-2.56,2.08,;-1.22,2.85,;-1.22,4.39,;-1.22,-1.77,;.32,-1.77,;-2.76,-1.77,;-1.22,-3.31,;-2.56,-4.08,;-4.1,-4.08,;-5.19,-2.99,;-6.27,-4.08,;-7.81,-4.08,;-5.19,-5.16,)| Show InChI InChI=1S/C19H21N5O5S/c1-10-3-4-15(30(26,27)24-28-14-6-13(25)7-14)8-16(10)12-5-17(18(20)21-9-12)19-22-11(2)23-29-19/h3-5,8-9,13-14,24-25H,6-7H2,1-2H3,(H2,20,21)/t13-,14-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	90	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295064 (3-(2-Amino-[3,4′]bipyridinyl-5-yl)-N-(3-hydr...) Show SMILES Cc1ccc(cc1-c1cnc(N)c(c1)-c1ccncc1)S(=O)(=O)NCCC(C)(C)O Show InChI InChI=1S/C22H26N4O3S/c1-15-4-5-18(30(28,29)26-11-8-22(2,3)27)13-19(15)17-12-20(21(23)25-14-17)16-6-9-24-10-7-16/h4-7,9-10,12-14,26-27H,8,11H2,1-3H3,(H2,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	90	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295194 (US10112926, Example 78 | trans-3-(6-Amino-5-(3-(2,...) Show SMILES Cc1ccc(cc1-c1cnc(N)c(c1)-c1nc(CC(F)(F)F)no1)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:28.30,wD:31.34,(-2.94,5,;-2.94,3.47,;-4.27,2.69,;-4.27,1.15,;-2.94,.38,;-1.61,1.15,;-1.61,2.69,;-.27,3.47,;-.27,5,;1.06,5.78,;2.4,5,;3.73,5.78,;2.4,3.47,;1.06,2.69,;3.73,2.69,;3.73,1.15,;5.19,.68,;5.96,-.65,;7.5,-.65,;8.27,-1.99,;8.27,.68,;6.73,.68,;6.1,1.93,;5.19,3.17,;-2.94,-1.15,;-1.4,-1.15,;-4.48,-1.15,;-2.94,-2.69,;-4.27,-3.47,;-4.27,-5,;-5.61,-5.78,;-6.94,-5,;-8.27,-5.78,;-6.94,-3.47,;-5.61,-2.69,)| Show InChI InChI=1S/C22H24F3N5O4S/c1-12-2-7-16(35(32,33)30-14-3-5-15(31)6-4-14)9-17(12)13-8-18(20(26)27-11-13)21-28-19(29-34-21)10-22(23,24)25/h2,7-9,11,14-15,30-31H,3-6,10H2,1H3,(H2,26,27)/t14-,15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	90	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295162 (3-(6-Amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridi...) Show SMILES Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NOC(C)(C)C Show InChI InChI=1S/C19H23N5O4S/c1-11-6-7-14(29(25,26)24-28-19(3,4)5)9-15(11)13-8-16(17(20)21-10-13)18-22-12(2)23-27-18/h6-10,24H,1-5H3,(H2,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295062 (3-(2-Amino-2′-methyl-[3,4′]bipyridinyl...) Show SMILES Cc1cc(ccn1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O Show InChI InChI=1S/C23H28N4O3S/c1-15-5-6-19(31(29,30)27-10-8-23(3,4)28)13-20(15)18-12-21(22(24)26-14-18)17-7-9-25-16(2)11-17/h5-7,9,11-14,27-28H,8,10H2,1-4H3,(H2,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295143 (3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-...) Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC1(O)CCCCC1 Show InChI InChI=1S/C24H30N4O4S/c1-16-6-7-19(33(30,31)27-11-10-24(29)8-4-3-5-9-24)14-20(16)18-13-21(23(25)26-15-18)22-12-17(2)28-32-22/h6-7,12-15,27,29H,3-5,8-11H2,1-2H3,(H2,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295217 (US10112926, Example 95 | trans-3-(6-amino-5-(3-met...) Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NO[C@H]1C[C@H](O)C1 |r,wU:27.30,wD:25.27,(7.68,-1.27,;6.91,.07,;5.45,.54,;5.45,2.08,;6.91,2.56,;7.81,1.31,;4.11,2.85,;2.78,2.08,;1.44,2.85,;1.44,4.39,;2.78,5.16,;4.11,4.39,;5.45,5.16,;.11,2.08,;.11,.54,;-1.22,-.23,;-2.56,.54,;-2.56,2.08,;-1.22,2.85,;-1.22,4.39,;-1.22,-1.77,;.32,-1.77,;-2.76,-1.77,;-1.22,-3.31,;-2.56,-4.08,;-4.1,-4.08,;-5.19,-2.99,;-6.27,-4.08,;-7.81,-4.08,;-5.19,-5.16,)| Show InChI InChI=1S/C20H22N4O5S/c1-11-3-4-16(30(26,27)24-28-15-7-14(25)8-15)9-17(11)13-6-18(20(21)22-10-13)19-5-12(2)23-29-19/h3-6,9-10,14-15,24-25H,7-8H2,1-2H3,(H2,21,22)/t14-,15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295210 (5-(6-Amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyridi...) Show SMILES Cc1noc(n1)-c1cc(cnc1N)-c1cc(c(Cl)cc1C)S(=O)(=O)NCC(C)(C)O Show InChI InChI=1S/C19H22ClN5O4S/c1-10-5-15(20)16(30(27,28)23-9-19(3,4)26)7-13(10)12-6-14(17(21)22-8-12)18-24-11(2)25-29-18/h5-8,23,26H,9H2,1-4H3,(H2,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM295065 (US10112926, Example 19 | trans 3-[6-Amino-5-(3-met...) Show SMILES Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](CO)CC1 |r,wU:24.26,wD:27.30,(5.5,-.1,;4.73,1.23,;5.2,2.69,;3.96,3.6,;2.71,2.69,;3.19,1.23,;1.38,3.47,;.04,2.69,;-1.29,3.47,;-1.29,5,;.04,5.78,;1.38,5,;2.71,5.78,;-2.62,2.69,;-2.62,1.15,;-3.96,.38,;-5.29,1.15,;-5.29,2.69,;-3.96,3.47,;-3.96,5,;-3.96,-1.15,;-2.42,-1.15,;-5.5,-1.15,;-3.96,-2.69,;-2.62,-3.47,;-1.29,-2.69,;.04,-3.47,;.04,-5,;1.38,-5.78,;2.71,-5,;-1.29,-5.78,;-2.62,-5,)| Show InChI InChI=1S/C22H27N5O4S/c1-13-3-8-18(32(29,30)27-17-6-4-15(12-28)5-7-17)10-19(13)16-9-20(21(23)24-11-16)22-25-14(2)26-31-22/h3,8-11,15,17,27-28H,4-7,12H2,1-2H3,(H2,23,24)/t15-,17-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	100	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295088 (US10112926, Example 21a) Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NO[C@H]1CCOC1 |r| Show InChI InChI=1S/C20H22N4O5S/c1-12-3-4-16(30(25,26)24-28-15-5-6-27-11-15)9-17(12)14-8-18(20(21)22-10-14)19-7-13(2)23-29-19/h3-4,7-10,15,24H,5-6,11H2,1-2H3,(H2,21,22)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295102 (3-(6-Amino-5-(2-methyloxazol-5-yl)pyridin-3-yl)-4-...) Show SMILES Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(N)(=O)=O Show InChI InChI=1S/C16H16N4O3S/c1-9-3-4-12(24(18,21)22)6-13(9)11-5-14(16(17)20-7-11)15-8-19-10(2)23-15/h3-8H,1-2H3,(H2,17,20)(H2,18,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295195 (3-(6-Amino-5-(3-(2,2,2-trifluoroethyl)-1,2,4-oxadi...) Show SMILES Cc1ccc(cc1-c1cnc(N)c(c1)-c1nc(CC(F)(F)F)no1)S(=O)(=O)NCCC(C)(C)O Show InChI InChI=1S/C21H24F3N5O4S/c1-12-4-5-14(34(31,32)27-7-6-20(2,3)30)9-15(12)13-8-16(18(25)26-11-13)19-28-17(29-33-19)10-21(22,23)24/h4-5,8-9,11,27,30H,6-7,10H2,1-3H3,(H2,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295240 (3-(6-amino-5-(2- methyloxazol-5- yl)pyridin-3-yl)-...) Show SMILES Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1CC1 Show InChI InChI=1S/C20H22N4O3S/c1-12-3-6-16(28(25,26)24-9-14-4-5-14)8-17(12)15-7-18(20(21)23-10-15)19-11-22-13(2)27-19/h3,6-8,10-11,14,24H,4-5,9H2,1-2H3,(H2,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295136 (3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-...) Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)CCCC1 Show InChI InChI=1S/C23H28N4O4S/c1-15-5-6-18(32(29,30)26-13-23(14-28)7-3-4-8-23)11-19(15)17-10-20(22(24)25-12-17)21-9-16(2)27-31-21/h5-6,9-12,26,28H,3-4,7-8,13-14H2,1-2H3,(H2,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295252 (3-(6-amino-5-(2-methyloxazol-5-yl)pyridin-3-yl)-N-...) Show SMILES Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CCC[C@H](O)C1 |r| Show InChI InChI=1S/C22H26N4O4S/c1-13-6-7-18(31(28,29)26-16-4-3-5-17(27)9-16)10-19(13)15-8-20(22(23)25-11-15)21-12-24-14(2)30-21/h6-8,10-12,16-17,26-27H,3-5,9H2,1-2H3,(H2,23,25)/t16-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	140	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295198 (US10112926, Example 82a) Show SMILES Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@@H]1C[C@H](O)C1 |r,wU:24.26,26.29,(6.06,9.48,;4.52,9.48,;3.61,8.23,;2.15,8.71,;2.15,10.25,;3.61,10.72,;.82,11.02,;-.52,10.25,;-1.85,11.02,;-1.85,12.56,;-.52,13.33,;.82,12.56,;2.15,13.33,;-3.19,10.25,;-3.19,8.71,;-4.52,7.94,;-5.85,8.71,;-5.85,10.25,;-4.52,11.02,;-4.52,12.56,;-4.52,6.4,;-2.98,6.4,;-6.06,6.4,;-4.52,4.86,;-3.19,4.09,;-2.79,2.6,;-1.3,3,;.03,2.23,;-1.7,4.48,)| Show InChI InChI=1S/C20H22N4O4S/c1-11-3-4-16(29(26,27)24-14-6-15(25)7-14)8-17(11)13-5-18(20(21)23-9-13)19-10-22-12(2)28-19/h3-5,8-10,14-15,24-25H,6-7H2,1-2H3,(H2,21,23)/t14-,15+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	140	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295232 ((+/-)trans-3-(6-amino- 5-(2-methyloxazol-5- yl)pyr...) Show SMILES Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC1CCC(O)C1 Show InChI InChI=1S/C21H24N4O4S/c1-12-3-6-17(30(27,28)25-15-4-5-16(26)8-15)9-18(12)14-7-19(21(22)24-10-14)20-11-23-13(2)29-20/h3,6-7,9-11,15-16,25-26H,4-5,8H2,1-2H3,(H2,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	140	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295116 (3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-...) Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(CO)CCCCC1 Show InChI InChI=1S/C24H30N4O4S/c1-16-6-7-19(33(30,31)27-14-24(15-29)8-4-3-5-9-24)12-20(16)18-11-21(23(25)26-13-18)22-10-17(2)28-32-22/h6-7,10-13,27,29H,3-5,8-9,14-15H2,1-2H3,(H2,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	140	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295059 (3-[6-Amino-5-(2-methyl-oxazol-5-yl)-pyridin-3-yl]-...) Show SMILES Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O Show InChI InChI=1S/C21H26N4O4S/c1-13-5-6-16(30(27,28)25-8-7-21(3,4)26)10-17(13)15-9-18(20(22)24-11-15)19-12-23-14(2)29-19/h5-6,9-12,25-26H,7-8H2,1-4H3,(H2,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	140	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295236 (3-(6-amino-5-(2- methyloxazol-5- yl)pyridin-3-yl)-...) Show SMILES Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1CCCOC1 Show InChI InChI=1S/C22H26N4O4S/c1-14-5-6-18(31(27,28)26-10-16-4-3-7-29-13-16)9-19(14)17-8-20(22(23)25-11-17)21-12-24-15(2)30-21/h5-6,8-9,11-12,16,26H,3-4,7,10,13H2,1-2H3,(H2,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	150	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295122 (3-(6-Amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-...) Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1(O)CCCCC1 Show InChI InChI=1S/C23H28N4O4S/c1-15-6-7-18(32(29,30)26-14-23(28)8-4-3-5-9-23)12-19(15)17-11-20(22(24)25-13-17)21-10-16(2)27-31-21/h6-7,10-13,26,28H,3-5,8-9,14H2,1-2H3,(H2,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	150	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295118 ((R)-3-(6-Amino-5-(3-methyl-1,2,4-oxadiazol-5-yl)py...) Show SMILES Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NC[C@H]1CCCO1 |r| Show InChI InChI=1S/C20H23N5O4S/c1-12-5-6-16(30(26,27)23-11-15-4-3-7-28-15)9-17(12)14-8-18(19(21)22-10-14)20-24-13(2)25-29-20/h5-6,8-10,15,23H,3-4,7,11H2,1-2H3,(H2,21,22)/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	160	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295211 (3-(6-Amino-5-(5-methylthiazol-2-yl)pyridin-3-yl)-N...) Show SMILES Cc1cnc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC(C)(C)O Show InChI InChI=1S/C20H24N4O3S2/c1-12-5-6-15(29(26,27)24-11-20(3,4)25)8-16(12)14-7-17(18(21)22-10-14)19-23-9-13(2)28-19/h5-10,24-25H,11H2,1-4H3,(H2,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	160	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295212 (3-(6-Amino-5-(5-methylthiazol-2-yl)pyridin-3-yl)-N...) Show SMILES Cc1cnc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O Show InChI InChI=1S/C21H26N4O3S2/c1-13-5-6-16(30(27,28)25-8-7-21(3,4)26)10-17(13)15-9-18(19(22)23-12-15)20-24-11-14(2)29-20/h5-6,9-12,25-26H,7-8H2,1-4H3,(H2,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	160	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295058 (US10112926, Example 12 | trans 3-[6-Amino-5-(3-met...) Show SMILES Cc1noc(n1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:27.30,(7.05,-.65,;6.28,.68,;7.19,1.93,;6.28,3.17,;4.82,2.69,;4.82,1.15,;3.48,3.47,;2.15,2.69,;.82,3.47,;.82,5,;2.15,5.78,;3.48,5,;4.82,5.78,;-.52,2.69,;-.52,1.15,;-1.85,.38,;-3.19,1.15,;-3.19,2.69,;-1.85,3.47,;-1.85,5,;-1.85,-1.15,;-.31,-1.15,;-3.39,-1.15,;-1.85,-2.69,;-3.19,-3.47,;-3.19,-5,;-4.52,-5.78,;-5.85,-5,;-7.19,-5.78,;-5.85,-3.47,;-4.52,-2.69,)| Show InChI InChI=1S/C21H25N5O4S/c1-12-3-8-17(31(28,29)26-15-4-6-16(27)7-5-15)10-18(12)14-9-19(20(22)23-11-14)21-24-13(2)25-30-21/h3,8-11,15-16,26-27H,4-7H2,1-2H3,(H2,22,23)/t15-,16-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	160	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295219 (3-(6-amino-5-(2-methylthiazol-5-yl)pyridin-3-yl)-N...) Show SMILES Cc1ncc(s1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:27.30,wD:24.26,(10.26,-1.16,;8.72,-1.16,;7.82,-2.4,;6.35,-1.92,;6.35,-.39,;7.82,.09,;5.02,.39,;3.69,-.39,;2.35,.39,;2.35,1.92,;3.69,2.69,;5.02,1.92,;6.35,2.69,;1.02,-.39,;-.31,.39,;-1.65,-.39,;-1.65,-1.92,;-.31,-2.69,;1.02,-1.92,;2.35,-2.69,;-2.98,.39,;-2.21,1.72,;-3.75,-.95,;-4.31,1.16,;-5.8,.76,;-6.89,1.85,;-8.38,1.45,;-8.78,-.04,;-10.26,-.44,;-7.69,-1.13,;-6.2,-.73,)| Show InChI InChI=1S/C22H26N4O3S2/c1-13-3-8-18(31(28,29)26-16-4-6-17(27)7-5-16)10-19(13)15-9-20(22(23)25-11-15)21-12-24-14(2)30-21/h3,8-12,16-17,26-27H,4-7H2,1-2H3,(H2,23,25)/t16-,17-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	160	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295060 (3-[6-Amino-5-(3-methyl-isoxazol-5-yl)-pyridin-3-yl...) Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O Show InChI InChI=1S/C21H26N4O4S/c1-13-5-6-16(30(27,28)24-8-7-21(3,4)26)11-17(13)15-10-18(20(22)23-12-15)19-9-14(2)25-29-19/h5-6,9-12,24,26H,7-8H2,1-4H3,(H2,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	170	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295221 (5-(6-amino-5-(3-methylisoxazol-5-yl)pyridin-3-yl)-...) Show SMILES Cc1cc(on1)-c1cc(cnc1N)-c1cc(c(F)cc1C)S(=O)(=O)NOCC(C)(C)O Show InChI InChI=1S/C20H23FN4O5S/c1-11-5-16(21)18(31(27,28)25-29-10-20(3,4)26)8-14(11)13-7-15(19(22)23-9-13)17-6-12(2)24-30-17/h5-9,25-26H,10H2,1-4H3,(H2,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	180	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295229 (3-(6-amino-5-(2- methyloxazol-5- yl)pyridin-3-yl)-...) Show SMILES Cc1ncc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCC1CC(O)C1 |(6.06,3.4,;4.52,3.4,;3.61,2.15,;2.15,2.63,;2.15,4.17,;3.61,4.64,;.82,4.94,;-.52,4.17,;-1.85,4.94,;-1.85,6.48,;-.52,7.25,;.82,6.48,;2.15,7.25,;-3.19,4.17,;-3.19,2.63,;-4.52,1.86,;-5.85,2.63,;-5.85,4.17,;-4.52,4.94,;-4.52,6.48,;-4.52,.32,;-6.06,.32,;-2.98,.32,;-4.52,-1.22,;-3.19,-1.99,;-3.19,-3.53,;-4.27,-4.62,;-3.19,-5.71,;-3.19,-7.25,;-2.1,-4.62,)| Show InChI InChI=1S/C21H24N4O4S/c1-12-3-4-17(30(27,28)25-9-14-5-16(26)6-14)8-18(12)15-7-19(21(22)24-10-15)20-11-23-13(2)29-20/h3-4,7-8,10-11,14,16,25-26H,5-6,9H2,1-2H3,(H2,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	180	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295108 (3-(6-Amino-5-(3-isopropylisoxazol-5-yl)pyridin-3-y...) Show SMILES CC(C)c1cc(on1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)NCCC(C)(C)O Show InChI InChI=1S/C23H30N4O4S/c1-14(2)20-12-21(31-27-20)19-10-16(13-25-22(19)24)18-11-17(7-6-15(18)3)32(29,30)26-9-8-23(4,5)28/h6-7,10-14,26,28H,8-9H2,1-5H3,(H2,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	180	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295243 (US10112926, Example 104.15 | rac-3-(6-amino-5-(2- ...) Show SMILES CC(O)CNS(=O)(=O)c1ccc(C)c(c1)-c1cnc(N)c(c1)-c1cnc(C)o1 Show InChI InChI=1S/C19H22N4O4S/c1-11-4-5-15(28(25,26)23-8-12(2)24)7-16(11)14-6-17(19(20)22-9-14)18-10-21-13(3)27-18/h4-7,9-10,12,23-24H,8H2,1-3H3,(H2,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	190	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM295044 (US10112926, Example 5.2 | trans 3-(6-Amino-5- (5-m...) Show SMILES Cc1cnc(o1)-c1cc(cnc1N)-c1cc(ccc1C)S(=O)(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:27.30,(7.96,1.93,;6.42,1.93,;5.51,.68,;4.05,1.15,;4.05,2.69,;5.51,3.17,;2.71,3.47,;1.38,2.69,;.05,3.47,;.05,5,;1.38,5.78,;2.71,5,;4.05,5.78,;-1.29,2.69,;-1.29,1.15,;-2.62,.38,;-3.96,1.15,;-3.96,2.69,;-2.62,3.47,;-2.62,5,;-2.62,-1.15,;-4.16,-1.15,;-1.08,-1.15,;-2.62,-2.69,;-3.96,-3.47,;-3.96,-5,;-5.29,-5.78,;-6.62,-5,;-7.96,-5.78,;-6.62,-3.47,;-5.29,-2.69,)| Show InChI InChI=1S/C22H26N4O4S/c1-13-3-8-18(31(28,29)26-16-4-6-17(27)7-5-16)10-19(13)15-9-20(21(23)24-12-15)22-25-11-14(2)30-22/h3,8-12,16-17,26-27H,4-7H2,1-2H3,(H2,23,24)/t16-,17-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	190	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10112926 (2018) BindingDB Entry DOI: 10.7270/Q22R3TQ9
					More data for this Ligand-Target Pair

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