Compile Data Set for Download or QSAR

Found 617 hits with Last Name = 'jeanclaude-etter' and Initial = 'i'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM169994 (US9073940, 344) Show SMILES Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3[C@H]1CCCN(CCC2CCOCC2)C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C27H35FN4O5S/c28-23-5-1-4-21-25-22(18-38(34,35)26(21)23)24(27(33)31-11-15-37-16-12-31)29-32(25)20-3-2-9-30(17-20)10-6-19-7-13-36-14-8-19/h1,4-5,19-20H,2-3,6-18H2/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia 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
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM170092 (US9073940, 450) Show SMILES O=C(N1CCOCC1)c1nn([C@H]2CCCN(CCN3CCCC3)C2)c-2c1CS(=O)(=O)c1ccccc-21 |r| Show InChI InChI=1S/C26H35N5O4S/c32-26(30-14-16-35-17-15-30)24-22-19-36(33,34)23-8-2-1-7-21(23)25(22)31(27-24)20-6-5-11-29(18-20)13-12-28-9-3-4-10-28/h1-2,7-8,20H,3-6,9-19H2/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia 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
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM110513 (US8614215, 85) Show SMILES COc1ccc(CC2CCS(=O)(=O)CC2)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(CN(C)C)cc2)c1 Show InChI InChI=1S/C30H35N5O5S2/c1-35(2)20-22-8-12-25(13-9-22)42(38,39)34-30-29(31-26-6-4-5-7-27(26)32-30)33-28-19-24(40-3)11-10-23(28)18-21-14-16-41(36,37)17-15-21/h4-13,19,21H,14-18,20H2,1-3H3,(H,31,33)(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA US Patent					Assay Description The assay combines the scintillation proximity assay technology (SPA, Amersham) with the capacity of neomycin (a polycationic antibiotic) to bind pho...				US Patent US8614215 (2013) BindingDB Entry DOI: 10.7270/Q24M936D
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM169955 (US9073940, 305) Show SMILES O=C(N1CCOCC1)c1nn(C2CCCN(CC3CCOCC3)C2)c-2c1CS(=O)(=O)c1ccccc-21 Show InChI InChI=1S/C26H34N4O5S/c31-26(29-10-14-35-15-11-29)24-22-18-36(32,33)23-6-2-1-5-21(23)25(22)30(27-24)20-4-3-9-28(17-20)16-19-7-12-34-13-8-19/h1-2,5-6,19-20H,3-4,7-18H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia 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
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM110459 (US8614215, 31) Show SMILES COc1ccc(CCCN(C)C)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)c1 Show InChI InChI=1S/C24H29N7O3S/c1-30(2)13-7-8-17-11-12-18(34-4)14-21(17)28-23-24(27-20-10-6-5-9-19(20)26-23)29-35(32,33)22-15-31(3)16-25-22/h5-6,9-12,14-16H,7-8,13H2,1-4H3,(H,26,28)(H,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA US Patent					Assay Description The assay combines the scintillation proximity assay technology (SPA, Amersham) with the capacity of neomycin (a polycationic antibiotic) to bind pho...				US Patent US8614215 (2013) BindingDB Entry DOI: 10.7270/Q24M936D
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM110530 (US8614215, 102) Show SMILES COc1ccc(CCCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)CO)c2)c1 Show InChI InChI=1S/C26H27N5O6S/c1-37-19-12-11-17(6-5-13-32)23(15-19)30-25-26(29-22-10-3-2-9-21(22)28-25)31-38(35,36)20-8-4-7-18(14-20)27-24(34)16-33/h2-4,7-12,14-15,32-33H,5-6,13,16H2,1H3,(H,27,34)(H,28,30)(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA US Patent					Assay Description The assay combines the scintillation proximity assay technology (SPA, Amersham) with the capacity of neomycin (a polycationic antibiotic) to bind pho...				US Patent US8614215 (2013) BindingDB Entry DOI: 10.7270/Q24M936D
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM170024 (US9073940, 376) Show SMILES O=C(N1CCOCC1)c1nn([C@H]2CCCN(CC3CCOCC3)C2)c-2c1CS(=O)(=O)c1ncccc-21 |r| Show InChI InChI=1S/C25H33N5O5S/c31-25(29-9-13-35-14-10-29)22-21-17-36(32,33)24-20(4-1-7-26-24)23(21)30(27-22)19-3-2-8-28(16-19)15-18-5-11-34-12-6-18/h1,4,7,18-19H,2-3,5-6,8-17H2/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia 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
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM170116 (US9073940, 474) Show SMILES COC1CCN(CCN2CCC[C@@H](C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4cc(F)ccc4-c23)CC1 |r| Show InChI InChI=1S/C28H38FN5O5S/c1-38-22-6-9-31(10-7-22)11-12-32-8-2-3-21(18-32)34-27-23-5-4-20(29)17-25(23)40(36,37)19-24(27)26(30-34)28(35)33-13-15-39-16-14-33/h4-5,17,21-22H,2-3,6-16,18-19H2,1H3/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia 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
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM170069 (US9073940, 427) Show SMILES Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3[C@H]1CCCN(C1)C1CCOCC1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C25H31FN4O5S/c26-21-5-1-4-19-23-20(16-36(32,33)24(19)21)22(25(31)28-9-13-35-14-10-28)27-30(23)18-3-2-8-29(15-18)17-6-11-34-12-7-17/h1,4-5,17-18H,2-3,6-16H2/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia 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
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM170012 (US9073940, 364) Show SMILES F[C@H]1CCN(CCN2CCC[C@@H](C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1 |r| Show InChI InChI=1S/C26H34FN5O4S/c27-19-7-9-30(16-19)11-10-29-8-3-4-20(17-29)32-25-21-5-1-2-6-23(21)37(34,35)18-22(25)24(28-32)26(33)31-12-14-36-15-13-31/h1-2,5-6,19-20H,3-4,7-18H2/t19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia 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
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM170114 (US9073940, 472) Show SMILES Fc1ccc2-c3c(CS(=O)(=O)c2c1)c(nn3[C@H]1CCCN(CCN2CCOCC2)C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C26H34FN5O5S/c27-19-3-4-21-23(16-19)38(34,35)18-22-24(26(33)31-10-14-37-15-11-31)28-32(25(21)22)20-2-1-5-30(17-20)7-6-29-8-12-36-13-9-29/h3-4,16,20H,1-2,5-15,17-18H2/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia 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
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM170107 (US9073940, 465) Show SMILES O=C(N1CCOCC1)c1nn([C@H]2CCCN(CCN3CCCCC3)C2)c-2c1CS(=O)(=O)c1ccccc-21 |r| Show InChI InChI=1S/C27H37N5O4S/c33-27(31-15-17-36-18-16-31)25-23-20-37(34,35)24-9-3-2-8-22(24)26(23)32(28-25)21-7-6-12-30(19-21)14-13-29-10-4-1-5-11-29/h2-3,8-9,21H,1,4-7,10-20H2/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia 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
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM170030 (US9073940, 382) Show SMILES COc1ccc2-c3c(CS(=O)(=O)c2c1)c(nn3[C@H]1CCCN(CCN2CC(F)(F)C2)C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C26H33F2N5O5S/c1-37-19-4-5-20-22(13-19)39(35,36)15-21-23(25(34)32-9-11-38-12-10-32)29-33(24(20)21)18-3-2-6-30(14-18)7-8-31-16-26(27,28)17-31/h4-5,13,18H,2-3,6-12,14-17H2,1H3/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia 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
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM169956 (US9073940, 306 | US9073940, 345) Show SMILES O=C(N1CCOCC1)c1nn([C@H]2CCCN(CCC3CCOCC3)C2)c-2c1CS(=O)(=O)c1ccccc-21 |r| Show InChI InChI=1S/C27H36N4O5S/c32-27(30-12-16-36-17-13-30)25-23-19-37(33,34)24-6-2-1-5-22(24)26(23)31(28-25)21-4-3-10-29(18-21)11-7-20-8-14-35-15-9-20/h1-2,5-6,20-21H,3-4,7-19H2/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia 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
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM170000 (US9073940, 350) Show SMILES Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3[C@H]1CCCN(CCN2CCOCC2)C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C26H34FN5O5S/c27-22-5-1-4-20-24-21(18-38(34,35)25(20)22)23(26(33)31-11-15-37-16-12-31)28-32(24)19-3-2-6-30(17-19)8-7-29-9-13-36-14-10-29/h1,4-5,19H,2-3,6-18H2/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia 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
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM170064 (US9073940, 422) Show SMILES O=C(N1CCOCC1)c1nn([C@H]2CCCN(CCC3CCOCC3)C2)c-2c1CS(=O)(=O)c1ncccc-21 |r| Show InChI InChI=1S/C26H35N5O5S/c32-26(30-11-15-36-16-12-30)23-22-18-37(33,34)25-21(4-1-8-27-25)24(22)31(28-23)20-3-2-9-29(17-20)10-5-19-6-13-35-14-7-19/h1,4,8,19-20H,2-3,5-7,9-18H2/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia 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
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM170061 (US9073940, 413) Show SMILES Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3C1CCCN(CCN2CCOCC2)C1)C(=O)N1CCOCC1 Show InChI InChI=1S/C26H34FN5O5S/c27-22-5-1-4-20-24-21(18-38(34,35)25(20)22)23(26(33)31-11-15-37-16-12-31)28-32(24)19-3-2-6-30(17-19)8-7-29-9-13-36-14-10-29/h1,4-5,19H,2-3,6-18H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia 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
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM170010 (US9073940, 362) Show SMILES FC1(F)CN(CCN2CCC[C@@H](C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1 |r| Show InChI InChI=1S/C25H31F2N5O4S/c26-25(27)16-30(17-25)9-8-29-7-3-4-18(14-29)32-23-19-5-1-2-6-21(19)37(34,35)15-20(23)22(28-32)24(33)31-10-12-36-13-11-31/h1-2,5-6,18H,3-4,7-17H2/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM170101 (US9073940, 459) Show SMILES CN1CCCC(C1)N1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12 |r| Show InChI InChI=1S/C26H35N5O4S/c1-28-10-4-6-19(16-28)30-11-5-7-20(17-30)31-25-21-8-2-3-9-23(21)36(33,34)18-22(25)24(27-31)26(32)29-12-14-35-15-13-29/h2-3,8-9,19-20H,4-7,10-18H2,1H3/t19?,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM110450 (US8614215, 22) Show SMILES COc1ccc(CC2CCC(O)CC2)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)c1 |(-3.33,8.01,;-3.33,6.47,;-2,5.7,;-.67,6.47,;.67,5.7,;.67,4.16,;2,3.39,;3.33,4.16,;4.67,3.39,;6,4.16,;6,5.7,;7.34,6.47,;4.67,6.47,;3.33,5.7,;-.67,3.39,;-.67,1.85,;-2,1.08,;-3.33,1.85,;-4.67,1.08,;-6,1.85,;-7.34,1.08,;-7.34,-.46,;-6,-1.23,;-4.67,-.46,;-3.33,-1.23,;-2,-.46,;-.67,-1.23,;-.67,-2.77,;.87,-2.77,;-2.21,-2.77,;-.67,-4.31,;-1.91,-5.21,;-1.44,-6.68,;-2.21,-8.01,;.1,-6.68,;.58,-5.21,;-2,4.16,)| Show InChI InChI=1S/C26H30N6O4S/c1-32-15-24(27-16-32)37(34,35)31-26-25(28-21-5-3-4-6-22(21)29-26)30-23-14-20(36-2)12-9-18(23)13-17-7-10-19(33)11-8-17/h3-6,9,12,14-17,19,33H,7-8,10-11,13H2,1-2H3,(H,28,30)(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA US Patent					Assay Description The assay combines the scintillation proximity assay technology (SPA, Amersham) with the capacity of neomycin (a polycationic antibiotic) to bind pho...				US Patent US8614215 (2013) BindingDB Entry DOI: 10.7270/Q24M936D
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM170105 (US9073940, 463) Show SMILES OC1CCN(CCN2CCC[C@@H](C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)CC1 |r| Show InChI InChI=1S/C27H37N5O5S/c33-21-7-10-29(11-8-21)12-13-30-9-3-4-20(18-30)32-26-22-5-1-2-6-24(22)38(35,36)19-23(26)25(28-32)27(34)31-14-16-37-17-15-31/h1-2,5-6,20-21,33H,3-4,7-19H2/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM170032 (US9073940, 384) Show SMILES COc1ccc2-c3c(CS(=O)(=O)c2c1)c(nn3[C@H]1CCCN(CCN2CCC(F)CC2)C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C28H38FN5O5S/c1-38-22-4-5-23-25(17-22)40(36,37)19-24-26(28(35)33-13-15-39-16-14-33)30-34(27(23)24)21-3-2-8-32(18-21)12-11-31-9-6-20(29)7-10-31/h4-5,17,20-21H,2-3,6-16,18-19H2,1H3/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM170088 (US9073940, 446) Show SMILES COC1CN(CCN2CCC[C@@H](C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1 |r| Show InChI InChI=1S/C26H35N5O5S/c1-35-20-16-29(17-20)10-9-28-8-4-5-19(15-28)31-25-21-6-2-3-7-23(21)37(33,34)18-22(25)24(27-31)26(32)30-11-13-36-14-12-30/h2-3,6-7,19-20H,4-5,8-18H2,1H3/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM110451 (US8614215, 23) Show SMILES COc1ccc(CC2CCC(O)CC2)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccnc2)c1 |(-3.33,7.7,;-3.33,6.16,;-2,5.39,;-.67,6.16,;.67,5.39,;.67,3.85,;2,3.08,;3.33,3.85,;4.67,3.08,;6,3.85,;6,5.39,;7.34,6.16,;4.67,6.16,;3.33,5.39,;-.67,3.08,;-.67,1.54,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-7.34,.77,;-7.34,-.77,;-6,-1.54,;-4.67,-.77,;-3.33,-1.54,;-2,-.77,;-.67,-1.54,;-.67,-3.08,;.87,-3.08,;-2.21,-3.08,;-.67,-4.62,;-2,-5.39,;-2,-6.93,;-.67,-7.7,;.67,-6.93,;.67,-5.39,;-2,3.85,)| Show InChI InChI=1S/C27H29N5O4S/c1-36-21-13-10-19(15-18-8-11-20(33)12-9-18)25(16-21)31-26-27(30-24-7-3-2-6-23(24)29-26)32-37(34,35)22-5-4-14-28-17-22/h2-7,10,13-14,16-18,20,33H,8-9,11-12,15H2,1H3,(H,29,31)(H,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA US Patent					Assay Description The assay combines the scintillation proximity assay technology (SPA, Amersham) with the capacity of neomycin (a polycationic antibiotic) to bind pho...				US Patent US8614215 (2013) BindingDB Entry DOI: 10.7270/Q24M936D
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM170096 (US9073940, 454) Show SMILES CN1CCC(CC1)OCCN1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12 |r| Show InChI InChI=1S/C28H39N5O5S/c1-30-11-8-22(9-12-30)38-18-13-31-10-4-5-21(19-31)33-27-23-6-2-3-7-25(23)39(35,36)20-24(27)26(29-33)28(34)32-14-16-37-17-15-32/h2-3,6-7,21-22H,4-5,8-20H2,1H3/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM170052 (US9073940, 404) Show SMILES Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3C1CCCN(CC2CCOC2)C1)C(=O)N1CCOCC1 Show InChI InChI=1S/C25H31FN4O5S/c26-21-5-1-4-19-23-20(16-36(32,33)24(19)21)22(25(31)29-8-11-34-12-9-29)27-30(23)18-3-2-7-28(14-18)13-17-6-10-35-15-17/h1,4-5,17-18H,2-3,6-16H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM170102 (US9073940, 460) Show SMILES COC1CCN(CCN2CCC[C@@H](C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)CC1 |r| Show InChI InChI=1S/C28H39N5O5S/c1-37-22-8-11-30(12-9-22)13-14-31-10-4-5-21(19-31)33-27-23-6-2-3-7-25(23)39(35,36)20-24(27)26(29-33)28(34)32-15-17-38-18-16-32/h2-3,6-7,21-22H,4-5,8-20H2,1H3/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM110456 (US8614215, 28) Show SMILES COc1ccc(CCCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)c1 Show InChI InChI=1S/C22H24N6O4S/c1-28-13-20(23-14-28)33(30,31)27-22-21(24-17-7-3-4-8-18(17)25-22)26-19-12-16(32-2)10-9-15(19)6-5-11-29/h3-4,7-10,12-14,29H,5-6,11H2,1-2H3,(H,24,26)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA US Patent					Assay Description The assay combines the scintillation proximity assay technology (SPA, Amersham) with the capacity of neomycin (a polycationic antibiotic) to bind pho...				US Patent US8614215 (2013) BindingDB Entry DOI: 10.7270/Q24M936D
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM110430 (US8614215, 1) Show SMILES COC(=O)c1ccc(OC)cc1Nc1nc2ccccc2nc1NS(=O)(=O)c1cn(C)cn1 Show InChI InChI=1S/C21H20N6O5S/c1-27-11-18(22-12-27)33(29,30)26-20-19(23-15-6-4-5-7-16(15)24-20)25-17-10-13(31-2)8-9-14(17)21(28)32-3/h4-12H,1-3H3,(H,23,25)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA US Patent					Assay Description The assay combines the scintillation proximity assay technology (SPA, Amersham) with the capacity of neomycin (a polycationic antibiotic) to bind pho...				US Patent US8614215 (2013) BindingDB Entry DOI: 10.7270/Q24M936D
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM169952 (US9073940, 302) Show SMILES Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3C1CCN(CCC2CCOCC2)C1)C(=O)N1CCOCC1 Show InChI InChI=1S/C26H33FN4O5S/c27-22-3-1-2-20-24-21(17-37(33,34)25(20)22)23(26(32)30-10-14-36-15-11-30)28-31(24)19-5-9-29(16-19)8-4-18-6-12-35-13-7-18/h1-3,18-19H,4-17H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM170106 (US9073940, 464) Show SMILES Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3[C@H]1CCCN(CCN2CC(F)(F)C2)C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C25H30F3N5O4S/c26-20-5-1-4-18-22-19(14-38(35,36)23(18)20)21(24(34)32-9-11-37-12-10-32)29-33(22)17-3-2-6-30(13-17)7-8-31-15-25(27,28)16-31/h1,4-5,17H,2-3,6-16H2/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM110462 (US8614215, 34) Show SMILES COc1ccc(CCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(cc2)C#N)c1 Show InChI InChI=1S/C24H21N5O4S/c1-33-18-9-8-17(12-13-30)22(14-18)28-23-24(27-21-5-3-2-4-20(21)26-23)29-34(31,32)19-10-6-16(15-25)7-11-19/h2-11,14,30H,12-13H2,1H3,(H,26,28)(H,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA US Patent					Assay Description The assay combines the scintillation proximity assay technology (SPA, Amersham) with the capacity of neomycin (a polycationic antibiotic) to bind pho...				US Patent US8614215 (2013) BindingDB Entry DOI: 10.7270/Q24M936D
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM169930 (US9073940, 280) Show SMILES Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3C1CCCN(CCC2CCOCC2)C1)C(=O)N1CCOCC1 Show InChI InChI=1S/C27H35FN4O5S/c28-23-5-1-4-21-25-22(18-38(34,35)26(21)23)24(27(33)31-11-15-37-16-12-31)29-32(25)20-3-2-9-30(17-20)10-6-19-7-13-36-14-8-19/h1,4-5,19-20H,2-3,6-18H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM110464 (US8614215, 36) Show SMILES COc1ccc(CCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C23H21FN4O4S/c1-32-17-9-6-15(12-13-29)21(14-17)27-22-23(26-20-5-3-2-4-19(20)25-22)28-33(30,31)18-10-7-16(24)8-11-18/h2-11,14,29H,12-13H2,1H3,(H,25,27)(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA US Patent					Assay Description The assay combines the scintillation proximity assay technology (SPA, Amersham) with the capacity of neomycin (a polycationic antibiotic) to bind pho...				US Patent US8614215 (2013) BindingDB Entry DOI: 10.7270/Q24M936D
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM170031 (US9073940, 383) Show SMILES COc1ccc2-c3c(CS(=O)(=O)c2c1)c(nn3[C@H]1CCCN(CCN2CCOCC2)C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C27H37N5O6S/c1-36-21-4-5-22-24(17-21)39(34,35)19-23-25(27(33)31-11-15-38-16-12-31)28-32(26(22)23)20-3-2-6-30(18-20)8-7-29-9-13-37-14-10-29/h4-5,17,20H,2-3,6-16,18-19H2,1H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM170037 (US9073940, 389) Show SMILES COc1ccc2-c3c(CS(=O)(=O)c2c1)c(nn3[C@H]1CCCN(C1)C1CCCOC1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C26H34N4O6S/c1-34-20-6-7-21-23(14-20)37(32,33)17-22-24(26(31)28-9-12-35-13-10-28)27-30(25(21)22)18-4-2-8-29(15-18)19-5-3-11-36-16-19/h6-7,14,18-19H,2-5,8-13,15-17H2,1H3/t18-,19?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM170081 (US9073940, 439) Show SMILES COC1CCN(CCN2CCC[C@@H](C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)C1 |r| Show InChI InChI=1S/C27H37N5O5S/c1-36-21-8-10-30(18-21)12-11-29-9-4-5-20(17-29)32-26-22-6-2-3-7-24(22)38(34,35)19-23(26)25(28-32)27(33)31-13-15-37-16-14-31/h2-3,6-7,20-21H,4-5,8-19H2,1H3/t20-,21?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM170067 (US9073940, 425) Show SMILES Fc1cccc2-c3c(CS(=O)(=O)c12)c(nn3[C@H]1CCCN(C1)C1CCCOC1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C25H31FN4O5S/c26-21-7-1-6-19-23-20(16-36(32,33)24(19)21)22(25(31)28-9-12-34-13-10-28)27-30(23)17-4-2-8-29(14-17)18-5-3-11-35-15-18/h1,6-7,17-18H,2-5,8-16H2/t17-,18?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM170011 (US9073940, 363) Show SMILES FC1CCN(CCN2CCC[C@@H](C2)n2nc(C(=O)N3CCOCC3)c3CS(=O)(=O)c4ccccc4-c23)CC1 |r| Show InChI InChI=1S/C27H36FN5O4S/c28-20-7-10-30(11-8-20)12-13-31-9-3-4-21(18-31)33-26-22-5-1-2-6-24(22)38(35,36)19-23(26)25(29-33)27(34)32-14-16-37-17-15-32/h1-2,5-6,20-21H,3-4,7-19H2/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM170009 (US9073940, 361) Show SMILES O=C(N1CCOCC1)c1nn([C@H]2CCCN(CC3CCOCC3)C2)c-2c1CS(=O)(=O)c1ccccc-21 |r| Show InChI InChI=1S/C26H34N4O5S/c31-26(29-10-14-35-15-11-29)24-22-18-36(32,33)23-6-2-1-5-21(23)25(22)30(27-24)20-4-3-9-28(17-20)16-19-7-12-34-13-8-19/h1-2,5-6,19-20H,3-4,7-18H2/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM170111 (US9073940, 469) Show SMILES O=C(N1CCOCC1)c1nn([C@H]2CCCN(C2)C2CCCNC2)c-2c1CS(=O)(=O)c1ccccc-21 |r| Show InChI InChI=1S/C25H33N5O4S/c31-25(28-11-13-34-14-12-28)23-21-17-35(32,33)22-8-2-1-7-20(22)24(21)30(27-23)19-6-4-10-29(16-19)18-5-3-9-26-15-18/h1-2,7-8,18-19,26H,3-6,9-17H2/t18?,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM110512 (US8614215, 84) Show SMILES COc1ccc(CC2CCC(O)CC2)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(CN(C)C)cc2)c1 |(-3.33,9.63,;-3.33,8.08,;-2,7.31,;-.67,8.08,;.67,7.31,;.67,5.78,;2,5,;3.33,5.78,;4.67,5,;6,5.78,;6,7.31,;7.34,8.08,;4.67,8.08,;3.33,7.31,;-.67,5,;-.67,3.47,;-2,2.69,;-3.33,3.47,;-4.67,2.69,;-6,3.47,;-7.34,2.69,;-7.34,1.15,;-6,.38,;-4.67,1.15,;-3.33,.38,;-2,1.15,;-.67,.38,;-.67,-1.15,;.87,-1.15,;-2.21,-1.15,;-.67,-2.69,;-2,-3.47,;-2,-5,;-.67,-5.78,;-.67,-7.31,;.67,-8.08,;2,-7.31,;.67,-9.63,;.67,-5,;.67,-3.47,;-2,5.78,)| Show InChI InChI=1S/C31H37N5O4S/c1-36(2)20-22-10-16-26(17-11-22)41(38,39)35-31-30(32-27-6-4-5-7-28(27)33-31)34-29-19-25(40-3)15-12-23(29)18-21-8-13-24(37)14-9-21/h4-7,10-12,15-17,19,21,24,37H,8-9,13-14,18,20H2,1-3H3,(H,32,34)(H,33,35)	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	26	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA US Patent					Assay Description The assay combines the scintillation proximity assay technology (SPA, Amersham) with the capacity of neomycin (a polycationic antibiotic) to bind pho...				US Patent US8614215 (2013) BindingDB Entry DOI: 10.7270/Q24M936D
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM110527 (US8614215, 99) Show SMILES COc1ccc(CCCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)C2CCNCC2)c1 Show InChI InChI=1S/C23H29N5O4S/c1-32-17-9-8-16(5-4-14-29)21(15-17)27-22-23(26-20-7-3-2-6-19(20)25-22)28-33(30,31)18-10-12-24-13-11-18/h2-3,6-9,15,18,24,29H,4-5,10-14H2,1H3,(H,25,27)(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA US Patent					Assay Description The assay combines the scintillation proximity assay technology (SPA, Amersham) with the capacity of neomycin (a polycationic antibiotic) to bind pho...				US Patent US8614215 (2013) BindingDB Entry DOI: 10.7270/Q24M936D
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM110517 (US8614215, 89) Show SMILES COc1ccc(CCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(CN(C)C)cc2)c1 Show InChI InChI=1S/C26H29N5O4S/c1-31(2)17-18-8-12-21(13-9-18)36(33,34)30-26-25(27-22-6-4-5-7-23(22)28-26)29-24-16-20(35-3)11-10-19(24)14-15-32/h4-13,16,32H,14-15,17H2,1-3H3,(H,27,29)(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA US Patent					Assay Description The assay combines the scintillation proximity assay technology (SPA, Amersham) with the capacity of neomycin (a polycationic antibiotic) to bind pho...				US Patent US8614215 (2013) BindingDB Entry DOI: 10.7270/Q24M936D
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM110438 (US8614215, 9) Show SMILES COc1ccc(CC2CCOCC2)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccnc2)c1 Show InChI InChI=1S/C26H27N5O4S/c1-34-20-9-8-19(15-18-10-13-35-14-11-18)24(16-20)30-25-26(29-23-7-3-2-6-22(23)28-25)31-36(32,33)21-5-4-12-27-17-21/h2-9,12,16-18H,10-11,13-15H2,1H3,(H,28,30)(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA US Patent					Assay Description The assay combines the scintillation proximity assay technology (SPA, Amersham) with the capacity of neomycin (a polycationic antibiotic) to bind pho...				US Patent US8614215 (2013) BindingDB Entry DOI: 10.7270/Q24M936D
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM170017 (US9073940, 369) Show SMILES COc1ccc2-c3c(CS(=O)(=O)c2c1)c(nn3[C@H]1CCCN(CCC2CCOCC2)C1)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C28H38N4O6S/c1-36-22-4-5-23-25(17-22)39(34,35)19-24-26(28(33)31-11-15-38-16-12-31)29-32(27(23)24)21-3-2-9-30(18-21)10-6-20-7-13-37-14-8-20/h4-5,17,20-21H,2-3,6-16,18-19H2,1H3/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM110498 (US8614215, 70) Show SMILES COc1ccc(CCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)CN(C)C)cc2)c1 Show InChI InChI=1S/C27H30N6O5S/c1-33(2)17-25(35)28-19-9-12-21(13-10-19)39(36,37)32-27-26(29-22-6-4-5-7-23(22)30-27)31-24-16-20(38-3)11-8-18(24)14-15-34/h4-13,16,34H,14-15,17H2,1-3H3,(H,28,35)(H,29,31)(H,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA US Patent					Assay Description The assay combines the scintillation proximity assay technology (SPA, Amersham) with the capacity of neomycin (a polycationic antibiotic) to bind pho...				US Patent US8614215 (2013) BindingDB Entry DOI: 10.7270/Q24M936D
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM170093 (US9073940, 451) Show SMILES CN1CCC(CC1)N1CCC[C@@H](C1)n1nc(C(=O)N2CCOCC2)c2CS(=O)(=O)c3ccccc3-c12 |r| Show InChI InChI=1S/C26H35N5O4S/c1-28-11-8-19(9-12-28)30-10-4-5-20(17-30)31-25-21-6-2-3-7-23(21)36(33,34)18-22(25)24(27-31)26(32)29-13-15-35-16-14-29/h2-3,6-7,19-20H,4-5,8-18H2,1H3/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM110475 (US8614215, 47) Show SMILES COc1ccc(CCCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)c(CN(C)C)n2)c1 Show InChI InChI=1S/C25H31N7O4S/c1-31(2)15-22-29-23(16-32(22)3)37(34,35)30-25-24(26-19-9-5-6-10-20(19)27-25)28-21-14-18(36-4)12-11-17(21)8-7-13-33/h5-6,9-12,14,16,33H,7-8,13,15H2,1-4H3,(H,26,28)(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono SA US Patent					Assay Description The assay combines the scintillation proximity assay technology (SPA, Amersham) with the capacity of neomycin (a polycationic antibiotic) to bind pho...				US Patent US8614215 (2013) BindingDB Entry DOI: 10.7270/Q24M936D
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha/beta/delta/gamma isoform (Homo sapiens (Human))	BDBM170095 (US9073940, 453) Show SMILES COc1ccc2c(c1)-c1c(CS2(=O)=O)c(nn1C1CCCN(CCN2CCOCC2)C1)C(=O)N1CCOCC1 Show InChI InChI=1S/C27H37N5O6S/c1-36-21-4-5-24-22(17-21)26-23(19-39(24,34)35)25(27(33)31-11-15-38-16-12-31)28-32(26)20-3-2-6-30(18-20)8-7-29-9-13-37-14-10-29/h4-5,17,20H,2-3,6-16,18-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SERONO SA US Patent					Assay Description The efficacy of compounds of the invention in inhibiting the PI3K induced-lipid phosphorylation may be tested in the following binding assay. The ass...				US Patent US9073940 (2015) BindingDB Entry DOI: 10.7270/Q2ZC81N2
					More data for this Ligand-Target Pair

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