Compile Data Set for Download or QSAR

Found 239 hits with Last Name = 'högenauer' and Initial = 'k'   

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
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50342601 (CHEMBL1255901 | Huperzine A) Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(N)CC(C)=C2 |r,c:18,TLB:1:2:11.5.4:17.14.15| Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Wien Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit acetylcholinesterase (AChE) in rat brain; 0.024-0.040 uM				Bioorg Med Chem Lett 11: 2627-30 (2001) BindingDB Entry DOI: 10.7270/Q2VH5PCN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50104605 (13-Eth-(E)-ylidene-11-methyl-6-aza-tricyclo[7.3.1....) Show SMILES C\C=C1/C2Cc3[nH]c(=O)ccc3C1CC(C)=C2 |c:17,TLB:10:11:2:16.14.13| Show InChI InChI=1S/C15H17NO/c1-3-11-10-6-9(2)7-13(11)12-4-5-15(17)16-14(12)8-10/h3-6,10,13H,7-8H2,1-2H3,(H,16,17)/b11-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Wien Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit acetylcholinesterase (AChE) in rat brain				Bioorg Med Chem Lett 11: 2627-30 (2001) BindingDB Entry DOI: 10.7270/Q2VH5PCN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50104603 (13-Eth-(Z)-ylidene-11-methyl-6-aza-tricyclo[7.3.1....) Show SMILES C\C=C1\C2Cc3[nH]c(=O)ccc3C1CC(C)=C2 |c:17,TLB:10:11:2:16.14.13| Show InChI InChI=1S/C15H17NO/c1-3-11-10-6-9(2)7-13(11)12-4-5-15(17)16-14(12)8-10/h3-6,10,13H,7-8H2,1-2H3,(H,16,17)/b11-3-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Wien Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit acetylcholinesterase (AChE) in rat brain				Bioorg Med Chem Lett 11: 2627-30 (2001) BindingDB Entry DOI: 10.7270/Q2VH5PCN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50104604 (11-Methyl-6-aza-tricyclo[7.3.1.0*2,7*]trideca-2(7)...) Show SMILES CC1=CC2Cc3[nH]c(=O)ccc3C(C1)C2=O |t:1,THB:10:11:14:2.1.13| Show InChI InChI=1S/C13H13NO2/c1-7-4-8-6-11-9(2-3-12(15)14-11)10(5-7)13(8)16/h2-4,8,10H,5-6H2,1H3,(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t Wien Curated by ChEMBL					Assay Description Compound was tested for its ability to inhibit acetylcholinesterase (AChE) in rat brain				Bioorg Med Chem Lett 11: 2627-30 (2001) BindingDB Entry DOI: 10.7270/Q2VH5PCN
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM23164 (CHEMBL190006 | FTY720-phosphate, (R)-2 | [(2R)-2-a...) Show SMILES CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [33P]-S1P1 from human S1P1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 1485-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.118 BindingDB Entry DOI: 10.7270/Q2WD40QR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118301 (US8653092, 69) Show SMILES COc1ncc(cc1C#N)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r| Show InChI InChI=1S/C24H29N7O3/c1-33-23-17(11-25)10-19(12-26-23)30-7-3-21-20(14-30)22(28-15-27-21)29-18-2-6-31(13-18)24(32)16-4-8-34-9-5-16/h10,12,15-16,18H,2-9,13-14H2,1H3,(H,27,28,29)/t18-/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	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118314 (US8653092, 82) Show SMILES COc1ncc(cc1Cl)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r| Show InChI InChI=1S/C23H29ClN6O3/c1-32-22-19(24)10-17(11-25-22)29-7-3-20-18(13-29)21(27-14-26-20)28-16-2-6-30(12-16)23(31)15-4-8-33-9-5-15/h10-11,14-16H,2-9,12-13H2,1H3,(H,26,27,28)/t16-/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	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118303 (US8653092, 71) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOC(C)(C)C3)c2C1 |r| Show InChI InChI=1S/C26H33F3N6O3/c1-25(2)11-16(6-9-38-25)24(36)35-7-4-17(13-35)33-22-19-14-34(8-5-21(19)31-15-32-22)18-10-20(26(27,28)29)23(37-3)30-12-18/h10,12,15-17H,4-9,11,13-14H2,1-3H3,(H,31,32,33)/t16?,17-/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	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118305 (US8653092, 73) Show SMILES CO[C@H]1CC[C@H](CC1)C(=O)N1CC[C@@H](C1)Nc1ncnc2CCN(Cc12)c1cnc(OC)c(c1)C(F)(F)F |r,wU:5.8,2.1,wD:13.16,(10.58,2.37,;9.81,3.7,;8.27,3.7,;7.5,2.37,;5.96,2.37,;5.19,3.7,;5.96,5.04,;7.5,5.04,;3.65,3.7,;2.88,5.04,;2.88,2.37,;3.79,1.12,;2.88,-.12,;1.42,.35,;1.42,1.89,;.09,-.42,;.09,-1.96,;1.42,-2.73,;1.42,-4.27,;.09,-5.04,;-1.25,-4.27,;-2.58,-5.04,;-3.92,-4.27,;-3.92,-2.73,;-2.58,-1.96,;-1.25,-2.73,;-5.25,-1.96,;-5.25,-.42,;-6.58,.35,;-7.92,-.42,;-9.25,.35,;-9.25,1.89,;-7.92,-1.96,;-6.58,-2.73,;-9.25,-2.73,;-10.58,-1.96,;-9.25,-4.27,;-10.02,-1.39,)| Show InChI InChI=1S/C26H33F3N6O3/c1-37-19-5-3-16(4-6-19)25(36)35-9-7-17(13-35)33-23-20-14-34(10-8-22(20)31-15-32-23)18-11-21(26(27,28)29)24(38-2)30-12-18/h11-12,15-17,19H,3-10,13-14H2,1-2H3,(H,31,32,33)/t16-,17-,19+/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	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118261 (US8653092, 28) Show SMILES COc1ncc(cc1C#N)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3oc(C)nc3C)c2C1 |r| Show InChI InChI=1S/C24H25N7O4/c1-14-21(34-15(2)29-14)24(32)31-6-4-18(11-31)35-23-19-12-30(7-5-20(19)27-13-28-23)17-8-16(9-25)22(33-3)26-10-17/h8,10,13,18H,4-7,11-12H2,1-3H3/t18-/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	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118307 (US8653092, 75) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)[C@@H]3CC[C@H](O)CC3)c2C1 |r,wU:28.29,31.33,wD:21.21,(-8.87,1.89,;-8.87,.35,;-7.53,-.42,;-6.2,.35,;-4.86,-.42,;-4.86,-1.96,;-6.2,-2.73,;-7.53,-1.96,;-8.87,-2.73,;-10.2,-1.96,;-8.87,-4.27,;-9.64,-1.39,;-3.53,-2.73,;-3.53,-4.27,;-2.2,-5.04,;-.86,-4.27,;.47,-5.04,;1.8,-4.27,;1.8,-2.73,;.47,-1.96,;.47,-.42,;1.8,.35,;3.27,-.12,;4.17,1.12,;3.27,2.37,;1.8,1.89,;4.04,3.7,;3.27,5.04,;5.58,3.7,;6.35,2.37,;7.89,2.37,;8.66,3.7,;10.2,3.7,;7.89,5.04,;6.35,5.04,;-.86,-2.73,;-2.2,-1.96,)| Show InChI InChI=1S/C25H31F3N6O3/c1-37-23-20(25(26,27)28)10-17(11-29-23)33-9-7-21-19(13-33)22(31-14-30-21)32-16-6-8-34(12-16)24(36)15-2-4-18(35)5-3-15/h10-11,14-16,18,35H,2-9,12-13H2,1H3,(H,30,31,32)/t15-,16-,18+/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	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118306 (US8653092, 74) Show SMILES CO[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H](C1)Nc1ncnc2CCN(Cc12)c1cnc(OC)c(c1)C(F)(F)F |r,wU:5.8,wD:13.16,2.1,(10.58,2.37,;9.81,3.7,;8.27,3.7,;7.5,5.04,;5.96,5.04,;5.19,3.7,;5.96,2.37,;7.5,2.37,;3.65,3.7,;2.88,5.04,;2.88,2.37,;3.79,1.12,;2.88,-.12,;1.42,.35,;1.42,1.89,;.09,-.42,;.09,-1.96,;1.42,-2.73,;1.42,-4.27,;.09,-5.04,;-1.25,-4.27,;-2.58,-5.04,;-3.92,-4.27,;-3.92,-2.73,;-2.58,-1.96,;-1.25,-2.73,;-5.25,-1.96,;-5.25,-.42,;-6.58,.35,;-7.92,-.42,;-9.25,.35,;-9.25,1.89,;-7.92,-1.96,;-6.58,-2.73,;-9.25,-2.73,;-10.58,-1.96,;-9.25,-4.27,;-10.02,-1.39,)| Show InChI InChI=1S/C26H33F3N6O3/c1-37-19-5-3-16(4-6-19)25(36)35-9-7-17(13-35)33-23-20-14-34(10-8-22(20)31-15-32-23)18-11-21(26(27,28)29)24(38-2)30-12-18/h11-12,15-17,19H,3-10,13-14H2,1-2H3,(H,31,32,33)/t16-,17-,19-/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	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118304 (US8653092, 72) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)c3cnco3)c2C1 |r| Show InChI InChI=1S/C22H22F3N7O3/c1-34-20-16(22(23,24)25)6-14(7-27-20)31-5-3-17-15(10-31)19(29-11-28-17)30-13-2-4-32(9-13)21(33)18-8-26-12-35-18/h6-8,11-13H,2-5,9-10H2,1H3,(H,28,29,30)/t13-/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	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118287 (US8653092, 55) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cscn3)c2C1 |r| Show InChI InChI=1S/C22H21F3N6O3S/c1-33-20-16(22(23,24)25)6-13(7-26-20)30-5-3-17-15(9-30)19(28-11-27-17)34-14-2-4-31(8-14)21(32)18-10-35-12-29-18/h6-7,10-12,14H,2-5,8-9H2,1H3/t14-/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	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118286 (US8653092, 54) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cnn(C)c3)c2C1 |r| Show InChI InChI=1S/C23H24F3N7O3/c1-31-10-14(8-30-31)22(34)33-5-3-16(11-33)36-20-17-12-32(6-4-19(17)28-13-29-20)15-7-18(23(24,25)26)21(35-2)27-9-15/h7-10,13,16H,3-6,11-12H2,1-2H3/t16-/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	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118273 (US8653092, 40) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3oc(C)nc3C)c2C1 |r| Show InChI InChI=1S/C24H25F3N6O4/c1-13-20(36-14(2)31-13)23(34)33-6-4-16(10-33)37-21-17-11-32(7-5-19(17)29-12-30-21)15-8-18(24(25,26)27)22(35-3)28-9-15/h8-9,12,16H,4-7,10-11H2,1-3H3/t16-/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	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118302 (US8653092, 70) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCN(CC3)C(C)=O)c2C1 |r| Show InChI InChI=1S/C26H32F3N7O3/c1-16(37)34-7-3-17(4-8-34)25(38)36-9-5-18(13-36)33-23-20-14-35(10-6-22(20)31-15-32-23)19-11-21(26(27,28)29)24(39-2)30-12-19/h11-12,15,17-18H,3-10,13-14H2,1-2H3,(H,31,32,33)/t18-/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	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118285 (US8653092, 53) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cn(C)cn3)c2C1 |r| Show InChI InChI=1S/C23H24F3N7O3/c1-31-11-19(30-13-31)22(34)33-5-3-15(9-33)36-20-16-10-32(6-4-18(16)28-12-29-20)14-7-17(23(24,25)26)21(35-2)27-8-14/h7-8,11-13,15H,3-6,9-10H2,1-2H3/t15-/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	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118300 (US8653092, 68) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r| Show InChI InChI=1S/C24H29F3N6O3/c1-35-22-19(24(25,26)27)10-17(11-28-22)32-7-3-20-18(13-32)21(30-14-29-20)31-16-2-6-33(12-16)23(34)15-4-8-36-9-5-15/h10-11,14-16H,2-9,12-13H2,1H3,(H,29,30,31)/t16-/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	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118308 (US8653092, 76) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)[C@H]3CC[C@H](O)CC3)c2C1 |r,wU:28.29,wD:21.21,31.33,(-8.87,1.89,;-8.87,.35,;-7.53,-.42,;-6.2,.35,;-4.86,-.42,;-4.86,-1.96,;-6.2,-2.73,;-7.53,-1.96,;-8.87,-2.73,;-10.2,-1.96,;-8.87,-4.27,;-9.64,-1.39,;-3.53,-2.73,;-3.53,-4.27,;-2.2,-5.04,;-.86,-4.27,;.47,-5.04,;1.8,-4.27,;1.8,-2.73,;.47,-1.96,;.47,-.42,;1.8,.35,;3.27,-.12,;4.17,1.12,;3.27,2.37,;1.8,1.89,;4.04,3.7,;3.27,5.04,;5.58,3.7,;6.35,5.04,;7.89,5.04,;8.66,3.7,;10.2,3.7,;7.89,2.37,;6.35,2.37,;-.86,-2.73,;-2.2,-1.96,)| Show InChI InChI=1S/C25H31F3N6O3/c1-37-23-20(25(26,27)28)10-17(11-29-23)33-9-7-21-19(13-33)22(31-14-30-21)32-16-6-8-34(12-16)24(36)15-2-4-18(35)5-3-15/h10-11,14-16,18,35H,2-9,12-13H2,1H3,(H,30,31,32)/t15-,16-,18-/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	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118254 (US8653092, 21) Show SMILES COc1cc(cnc1OC)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cocn3)c2C1 |r| Show InChI InChI=1S/C22H24N6O5/c1-30-19-7-14(8-23-21(19)31-2)27-6-4-17-16(10-27)20(25-12-24-17)33-15-3-5-28(9-15)22(29)18-11-32-13-26-18/h7-8,11-13,15H,3-6,9-10H2,1-2H3/t15-/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	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118255 (US8653092, 22) Show SMILES COc1cc(cnc1OC)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cnco3)c2C1 |r| Show InChI InChI=1S/C22H24N6O5/c1-30-18-7-14(8-24-21(18)31-2)27-6-4-17-16(11-27)20(26-12-25-17)33-15-3-5-28(10-15)22(29)19-9-23-13-32-19/h7-9,12-13,15H,3-6,10-11H2,1-2H3/t15-/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	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118235 (US8653092, 2) Show SMILES COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C4)C(=O)C4CCOCC4)c3C2)c(OC)n1 |r| Show InChI InChI=1S/C23H30N6O5/c1-31-21-19(11-24-23(27-21)32-2)28-8-4-18-17(13-28)20(26-14-25-18)34-16-3-7-29(12-16)22(30)15-5-9-33-10-6-15/h11,14-16H,3-10,12-13H2,1-2H3/t16-/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	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118242 (US8653092, 9) Show SMILES COc1ncc(cc1C#N)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCCC3)c2C1 |r| Show InChI InChI=1S/C24H28N6O3/c1-32-22-17(11-25)10-18(12-26-22)29-9-7-21-20(14-29)23(28-15-27-21)33-19-6-8-30(13-19)24(31)16-4-2-3-5-16/h10,12,15-16,19H,2-9,13-14H2,1H3/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	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118243 (US8653092, 10) Show SMILES COc1ncc(cc1C)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3oc(C)nc3C)c2C1 |r| Show InChI InChI=1S/C24H28N6O4/c1-14-9-17(10-25-22(14)32-4)29-8-6-20-19(12-29)23(27-13-26-20)34-18-5-7-30(11-18)24(31)21-15(2)28-16(3)33-21/h9-10,13,18H,5-8,11-12H2,1-4H3/t18-/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	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118324 (US8653092, 92) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCN(CC3)C(C)=O)c2C1 |r| Show InChI InChI=1S/C26H31F3N6O4/c1-16(36)33-7-3-17(4-8-33)25(37)35-9-5-19(13-35)39-23-20-14-34(10-6-22(20)31-15-32-23)18-11-21(26(27,28)29)24(38-2)30-12-18/h11-12,15,17,19H,3-10,13-14H2,1-2H3/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	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118257 (US8653092, 24) Show SMILES COc1cc(cnc1OC)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCOC(C)(C)C3)c2C1 |r| Show InChI InChI=1S/C26H35N5O5/c1-26(2)12-17(7-10-35-26)25(32)31-8-5-19(14-31)36-23-20-15-30(9-6-21(20)28-16-29-23)18-11-22(33-3)24(34-4)27-13-18/h11,13,16-17,19H,5-10,12,14-15H2,1-4H3/t17?,19-/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	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118272 (US8653092, 39) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)CC3)c2C1 |r| Show InChI InChI=1S/C24H28F3N5O5S/c1-36-22-19(24(25,26)27)10-16(11-28-22)31-7-3-20-18(13-31)21(30-14-29-20)37-17-2-6-32(12-17)23(33)15-4-8-38(34,35)9-5-15/h10-11,14-15,17H,2-9,12-13H2,1H3/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	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118316 (US8653092, 84) Show SMILES FC(F)(F)c1cncc(c1)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r| Show InChI InChI=1S/C23H27F3N6O2/c24-23(25,26)16-9-18(11-27-10-16)31-6-2-20-19(13-31)21(29-14-28-20)30-17-1-5-32(12-17)22(33)15-3-7-34-8-4-15/h9-11,14-15,17H,1-8,12-13H2,(H,28,29,30)/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	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118256 (US8653092, 23) Show SMILES COc1cc(cnc1OC)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3coc(C)n3)c2C1 |r| Show InChI InChI=1S/C23H26N6O5/c1-14-27-19(12-33-14)23(30)29-6-4-16(10-29)34-21-17-11-28(7-5-18(17)25-13-26-21)15-8-20(31-2)22(32-3)24-9-15/h8-9,12-13,16H,4-7,10-11H2,1-3H3/t16-/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	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118244 (US8653092, 11) Show SMILES COc1ncc(cc1C)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3ccoc3)c2C1 |r| Show InChI InChI=1S/C23H25N5O4/c1-15-9-17(10-24-21(15)30-2)27-7-4-20-19(12-27)22(26-14-25-20)32-18-3-6-28(11-18)23(29)16-5-8-31-13-16/h5,8-10,13-14,18H,3-4,6-7,11-12H2,1-2H3/t18-/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	11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118262 (US8653092, 29) Show SMILES COc1ncc(cc1C#N)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCOC(C)(C)C3)c2C1 |r| Show InChI InChI=1S/C26H32N6O4/c1-26(2)11-17(6-9-35-26)25(33)32-7-4-20(14-32)36-24-21-15-31(8-5-22(21)29-16-30-24)19-10-18(12-27)23(34-3)28-13-19/h10,13,16-17,20H,4-9,11,14-15H2,1-3H3/t17?,20-/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	11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118323 (US8653092, 91) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cocn3)c2C1 |r| Show InChI InChI=1S/C22H21F3N6O4/c1-33-20-16(22(23,24)25)6-13(7-26-20)30-5-3-17-15(9-30)19(28-11-27-17)35-14-2-4-31(8-14)21(32)18-10-34-12-29-18/h6-7,10-12,14H,2-5,8-9H2,1H3/t14-/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	11	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118245 (US8653092, 12) Show SMILES COc1ncc(cc1C)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cnco3)c2C1 |r| Show InChI InChI=1S/C22H24N6O4/c1-14-7-15(8-24-20(14)30-2)27-6-4-18-17(11-27)21(26-12-25-18)32-16-3-5-28(10-16)22(29)19-9-23-13-31-19/h7-9,12-13,16H,3-6,10-11H2,1-2H3/t16-/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	12	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118319 (US8653092, 87) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)N3CCC(O)CC3)c2C1 |r| Show InChI InChI=1S/C24H29F3N6O4/c1-36-22-19(24(25,26)27)10-15(11-28-22)32-9-5-20-18(13-32)21(30-14-29-20)37-17-4-8-33(12-17)23(35)31-6-2-16(34)3-7-31/h10-11,14,16-17,34H,2-9,12-13H2,1H3/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	12	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118293 (US8653092, 61) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r| Show InChI InChI=1S/C24H28F3N5O4/c1-34-22-19(24(25,26)27)10-16(11-28-22)31-7-3-20-18(13-31)21(30-14-29-20)36-17-2-6-32(12-17)23(33)15-4-8-35-9-5-15/h10-11,14-15,17H,2-9,12-13H2,1H3/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	12	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118310 (US8653092, 78) Show SMILES COc1ncc(cc1C)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)c3cnco3)c2C1 |r| Show InChI InChI=1S/C22H25N7O3/c1-14-7-16(8-24-21(14)31-2)28-6-4-18-17(11-28)20(26-12-25-18)27-15-3-5-29(10-15)22(30)19-9-23-13-32-19/h7-9,12-13,15H,3-6,10-11H2,1-2H3,(H,25,26,27)/t15-/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	12	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118288 (US8653092, 56) Show SMILES COc1ncc(cc1Cl)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r| Show InChI InChI=1S/C23H28ClN5O4/c1-31-22-19(24)10-16(11-25-22)28-7-3-20-18(13-28)21(27-14-26-20)33-17-2-6-29(12-17)23(30)15-4-8-32-9-5-15/h10-11,14-15,17H,2-9,12-13H2,1H3/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	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118240 (US8653092, 7) Show SMILES COc1ncc(cc1F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r| Show InChI InChI=1S/C23H28FN5O4/c1-31-22-19(24)10-16(11-25-22)28-7-3-20-18(13-28)21(27-14-26-20)33-17-2-6-29(12-17)23(30)15-4-8-32-9-5-15/h10-11,14-15,17H,2-9,12-13H2,1H3/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	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118275 (US8653092, 42) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3ccnn3C)c2C1 |r| Show InChI InChI=1S/C23H24F3N7O3/c1-31-19(3-6-30-31)22(34)33-7-4-15(11-33)36-20-16-12-32(8-5-18(16)28-13-29-20)14-9-17(23(24,25)26)21(35-2)27-10-14/h3,6,9-10,13,15H,4-5,7-8,11-12H2,1-2H3/t15-/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	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118247 (US8653092, 14) Show SMILES COc1ncc(cc1C)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3coc(C)n3)c2C1 |r| Show InChI InChI=1S/C23H26N6O4/c1-14-8-16(9-24-21(14)31-3)28-7-5-19-18(11-28)22(26-13-25-19)33-17-4-6-29(10-17)23(30)20-12-32-15(2)27-20/h8-9,12-13,17H,4-7,10-11H2,1-3H3/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	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118246 (US8653092, 13) Show SMILES COc1ncc(cc1C)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cncn3C)c2C1 |r| Show InChI InChI=1S/C23H27N7O3/c1-15-8-16(9-25-21(15)32-3)29-7-5-19-18(12-29)22(27-13-26-19)33-17-4-6-30(11-17)23(31)20-10-24-14-28(20)2/h8-10,13-14,17H,4-7,11-12H2,1-3H3/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	13	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118248 (US8653092, 15) Show SMILES COC1CC(C1)C(=O)N1CC[C@@H](C1)Oc1ncnc2CCN(Cc12)c1cnc(OC)c(C)c1 |r,wD:11.14,(9,5.87,;8.61,4.38,;7.12,3.98,;6.35,2.65,;5.02,3.42,;5.79,4.75,;3.53,3.02,;2.44,4.11,;3.13,1.53,;4.03,.29,;3.13,-.96,;1.66,-.48,;1.66,1.06,;.33,-1.25,;.33,-2.79,;1.66,-3.56,;1.66,-5.1,;.33,-5.87,;-1,-5.1,;-2.34,-5.87,;-3.67,-5.1,;-3.67,-3.56,;-2.34,-2.79,;-1,-3.56,;-5,-2.79,;-5,-1.25,;-6.34,-.48,;-7.67,-1.25,;-9,-.48,;-9,1.06,;-7.67,-2.79,;-9,-3.56,;-6.34,-3.56,)| Show InChI InChI=1S/C24H31N5O4/c1-15-8-17(11-25-22(15)32-3)28-7-5-21-20(13-28)23(27-14-26-21)33-18-4-6-29(12-18)24(30)16-9-19(10-16)31-2/h8,11,14,16,18-19H,4-7,9-10,12-13H2,1-3H3/t16?,18-,19?/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	14	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118298 (US8653092, 66) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)c3ncccn3)c2C1 |r| Show InChI InChI=1S/C22H22F3N7O2/c1-33-20-17(22(23,24)25)9-14(10-28-20)31-8-4-18-16(12-31)19(30-13-29-18)34-15-3-7-32(11-15)21-26-5-2-6-27-21/h2,5-6,9-10,13,15H,3-4,7-8,11-12H2,1H3/t15-/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	14	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118274 (US8653092, 41) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cncs3)c2C1 |r| Show InChI InChI=1S/C22H21F3N6O3S/c1-33-20-16(22(23,24)25)6-13(7-27-20)30-5-3-17-15(10-30)19(29-11-28-17)34-14-2-4-31(9-14)21(32)18-8-26-12-35-18/h6-8,11-12,14H,2-5,9-10H2,1H3/t14-/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	14	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118267 (US8653092, 34) Show SMILES COc1ncc(cc1C)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3ccno3)c2C1 |r| Show InChI InChI=1S/C22H24N6O4/c1-14-9-15(10-23-20(14)30-2)27-8-5-18-17(12-27)21(25-13-24-18)31-16-4-7-28(11-16)22(29)19-3-6-26-32-19/h3,6,9-10,13,16H,4-5,7-8,11-12H2,1-2H3/t16-/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	14	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118236 (US8653092, 3) Show SMILES COc1ncc(cc1C#N)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r| Show InChI InChI=1S/C24H28N6O4/c1-32-22-17(11-25)10-18(12-26-22)29-7-3-21-20(14-29)23(28-15-27-21)34-19-2-6-30(13-19)24(31)16-4-8-33-9-5-16/h10,12,15-16,19H,2-9,13-14H2,1H3/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	15	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118234 (US8653092, 1) Show SMILES COc1ncc(cc1C)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r| Show InChI InChI=1S/C24H31N5O4/c1-16-11-18(12-25-22(16)31-2)28-8-4-21-20(14-28)23(27-15-26-21)33-19-3-7-29(13-19)24(30)17-5-9-32-10-6-17/h11-12,15,17,19H,3-10,13-14H2,1-2H3/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	15	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118249 (US8653092, 16) Show SMILES COc1ncc(cc1C)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cocn3)c2C1 |r| Show InChI InChI=1S/C22H24N6O4/c1-14-7-15(8-23-20(14)30-2)27-6-4-18-17(10-27)21(25-12-24-18)32-16-3-5-28(9-16)22(29)19-11-31-13-26-19/h7-8,11-13,16H,3-6,9-10H2,1-2H3/t16-/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	16	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118312 (US8653092, 80) Show SMILES COc1ncc(cc1C)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOC(C)(C)C3)c2C1 |r| Show InChI InChI=1S/C26H36N6O3/c1-17-11-20(13-27-24(17)34-4)31-9-6-22-21(15-31)23(29-16-28-22)30-19-5-8-32(14-19)25(33)18-7-10-35-26(2,3)12-18/h11,13,16,18-19H,5-10,12,14-15H2,1-4H3,(H,28,29,30)/t18?,19-/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	16	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair

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