Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 1538   

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))	BDBM330295 (Methyl (5-(6-((4-(methylsulfonyl)piperazin-1-yl)me...) Show SMILES COC(=O)Nc1cc(c(cn1)-c1nc(N2CCOCC2)c2cc(CN3CCN(CC3)S(C)(=O)=O)cn2n1)C(F)(F)F Show InChI InChI=1S/C24H29F3N8O5S/c1-39-23(36)29-20-12-18(24(25,26)27)17(13-28-20)21-30-22(33-7-9-40-10-8-33)19-11-16(15-35(19)31-21)14-32-3-5-34(6-4-32)41(2,37)38/h11-13,15H,3-10,14H2,1-2H3,(H,28,29,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	2.84	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences; Shanghai Haihe Pharmaceutical Co., Ltd. US Patent					Assay Description The activity of purified kinase was detected with Kinase-Glo® Plus kinase luminescent assay by measuring the amount of the remaining Kinase in the so...				US Patent US9724352 (2017) BindingDB Entry DOI: 10.7270/Q2GM89D9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM330296 ((S)-methyl (5-(4-(3-methylmorpholino)-6-((4-(methy...) Show SMILES COC(=O)Nc1cc(c(cn1)-c1nc(N2CCOC[C@@H]2C)c2cc(CN3CCN(CC3)S(C)(=O)=O)cn2n1)C(F)(F)F Show InChI InChI=1S/C25H31F3N8O5S/c1-16-15-41-9-8-35(16)23-20-10-17(13-33-4-6-34(7-5-33)42(3,38)39)14-36(20)32-22(31-23)18-12-29-21(30-24(37)40-2)11-19(18)25(26,27)28/h10-12,14,16H,4-9,13,15H2,1-3H3,(H,29,30,37)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.67	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences; Shanghai Haihe Pharmaceutical Co., Ltd. US Patent					Assay Description The activity of purified kinase was detected with Kinase-Glo® Plus kinase luminescent assay by measuring the amount of the remaining Kinase in the so...				US Patent US9724352 (2017) BindingDB Entry DOI: 10.7270/Q2GM89D9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM330294 (Ethyl (5-(6-((4-(methylsulfonyl)piperazin-1-yl)met...) Show SMILES CCOC(=O)Nc1cc(c(cn1)-c1nc(N2CCOCC2)c2cc(CN3CCN(CC3)S(C)(=O)=O)cn2n1)C(F)(F)F Show InChI InChI=1S/C25H31F3N8O5S/c1-3-41-24(37)30-21-13-19(25(26,27)28)18(14-29-21)22-31-23(34-8-10-40-11-9-34)20-12-17(16-36(20)32-22)15-33-4-6-35(7-5-33)42(2,38)39/h12-14,16H,3-11,15H2,1-2H3,(H,29,30,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.15	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences; Shanghai Haihe Pharmaceutical Co., Ltd. US Patent					Assay Description The activity of purified kinase was detected with Kinase-Glo® Plus kinase luminescent assay by measuring the amount of the remaining Kinase in the so...				US Patent US9724352 (2017) BindingDB Entry DOI: 10.7270/Q2GM89D9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM330293 (1-ethyl-3-(5-(6-((4-(methylsulfonyl)piperazin-1-yl...) Show SMILES CCNC(=O)Nc1cc(c(cn1)-c1nc(N2CCOCC2)c2cc(CN3CCN(CC3)S(C)(=O)=O)cn2n1)C(F)(F)F Show InChI InChI=1S/C25H32F3N9O4S/c1-3-29-24(38)31-21-13-19(25(26,27)28)18(14-30-21)22-32-23(35-8-10-41-11-9-35)20-12-17(16-37(20)33-22)15-34-4-6-36(7-5-34)42(2,39)40/h12-14,16H,3-11,15H2,1-2H3,(H2,29,30,31,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.19	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences; Shanghai Haihe Pharmaceutical Co., Ltd. US Patent					Assay Description The activity of purified kinase was detected with Kinase-Glo® Plus kinase luminescent assay by measuring the amount of the remaining Kinase in the so...				US Patent US9724352 (2017) BindingDB Entry DOI: 10.7270/Q2GM89D9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM330259 (5-(6-((4-(methylsulfonyl)piperazin-1-yl)methyl)-4-...) Show SMILES CS(=O)(=O)N1CCN(Cc2cc3c(nc(nn3c2)-c2cnc(N)cc2C(F)(F)F)N2CCOCC2)CC1 Show InChI InChI=1S/C22H27F3N8O3S/c1-37(34,35)32-4-2-30(3-5-32)13-15-10-18-21(31-6-8-36-9-7-31)28-20(29-33(18)14-15)16-12-27-19(26)11-17(16)22(23,24)25/h10-12,14H,2-9,13H2,1H3,(H2,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.37	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences; Shanghai Haihe Pharmaceutical Co., Ltd. US Patent					Assay Description The activity of purified kinase was detected with Kinase-Glo® Plus kinase luminescent assay by measuring the amount of the remaining Kinase in the so...				US Patent US9724352 (2017) BindingDB Entry DOI: 10.7270/Q2GM89D9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM330292 (1-(4-fluorophenyl)-3-(5-(6-((4-(methylsulfonyl)pip...) Show SMILES CS(=O)(=O)N1CCN(Cc2cc3c(nc(nn3c2)-c2cnc(NC(=O)Nc3ccc(F)cc3)cc2C(F)(F)F)N2CCOCC2)CC1 Show InChI InChI=1S/C29H31F4N9O4S/c1-47(44,45)41-8-6-39(7-9-41)17-19-14-24-27(40-10-12-46-13-11-40)37-26(38-42(24)18-19)22-16-34-25(15-23(22)29(31,32)33)36-28(43)35-21-4-2-20(30)3-5-21/h2-5,14-16,18H,6-13,17H2,1H3,(H2,34,35,36,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences; Shanghai Haihe Pharmaceutical Co., Ltd. US Patent					Assay Description The activity of purified kinase was detected with Kinase-Glo® Plus kinase luminescent assay by measuring the amount of the remaining Kinase in the so...				US Patent US9724352 (2017) BindingDB Entry DOI: 10.7270/Q2GM89D9
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM330258 (1-(4-(4-methylpiperazine-carbonyl)phenyl)-3-(4-(6-...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3cc(CN4CCN(CC4)S(C)(=O)=O)cn3n2)cc1 Show InChI InChI=1S/C35H44N10O5S/c1-40-11-15-43(16-12-40)34(46)28-5-9-30(10-6-28)37-35(47)36-29-7-3-27(4-8-29)32-38-33(42-19-21-50-22-20-42)31-23-26(25-45(31)39-32)24-41-13-17-44(18-14-41)51(2,48)49/h3-10,23,25H,11-22,24H2,1-2H3,(H2,36,37,47)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.59	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica, Chinese Academy of Sciences; Shanghai Haihe Pharmaceutical Co., Ltd. US Patent					Assay Description The activity of purified kinase was detected with Kinase-Glo® Plus kinase luminescent assay by measuring the amount of the remaining Kinase in the so...				US Patent US9724352 (2017) BindingDB Entry DOI: 10.7270/Q2GM89D9
					More data for this Ligand-Target Pair