Compile Data Set for Download or QSAR

Found 136 hits with Last Name = 'rodríguez-arístegui' and Initial = 's'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420714 (CHEMBL2087474) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C20H27N9O3S/c1-33(30,31)29-4-2-26(3-5-29)12-16-13-28-14-17(15-10-22-20(21)23-11-15)25-19(18(28)24-16)27-6-8-32-9-7-27/h10-11,13-14H,2-9,12H2,1H3,(H2,21,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420730 (CHEMBL2087493) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C20H26ClN9O3S/c1-34(31,32)29-4-2-27(3-5-29)12-15-13-30-17(21)16(14-10-23-20(22)24-11-14)26-18(19(30)25-15)28-6-8-33-9-7-28/h10-11,13H,2-9,12H2,1H3,(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50365517 (CHEMBL1957508) Show SMILES COCCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C22H25N7O3/c1-31-9-3-6-23-22(30)19-14-29-13-18(15-4-2-5-17-16(15)12-24-27-17)25-20(21(29)26-19)28-7-10-32-11-8-28/h2,4-5,12-14H,3,6-11H2,1H3,(H,23,30)(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3 Curated by ChEMBL					Assay Description Inhibition of human PI3K p110delta/p85alpha				Bioorg Med Chem Lett 22: 1874-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.074 BindingDB Entry DOI: 10.7270/Q29Z95DX
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50365514 (CHEMBL1957505) Show SMILES CN(C)CCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C23H28N8O2/c1-29(2)8-4-7-24-23(32)20-15-31-14-19(16-5-3-6-18-17(16)13-25-28-18)26-21(22(31)27-20)30-9-11-33-12-10-30/h3,5-6,13-15H,4,7-12H2,1-2H3,(H,24,32)(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3 Curated by ChEMBL					Assay Description Inhibition of human PI3K p110delta/p85alpha				Bioorg Med Chem Lett 22: 1874-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.074 BindingDB Entry DOI: 10.7270/Q29Z95DX
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50420719 (CHEMBL2087479) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2C(F)(F)F)CC1 Show InChI InChI=1S/C21H26F3N9O3S/c1-37(34,35)33-4-2-30(3-5-33)11-14-12-32-13-16(15-10-26-20(25)29-17(15)21(22,23)24)28-19(18(32)27-14)31-6-8-36-9-7-31/h10,12-13H,2-9,11H2,1H3,(H2,25,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.06	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta (p110delta/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420736 (CHEMBL2087483) Show SMILES C[C@H]1CN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CCN1S(C)(=O)=O |r| Show InChI InChI=1S/C21H29N9O3S/c1-15-11-27(3-4-30(15)34(2,31)32)12-17-13-29-14-18(16-9-23-21(22)24-10-16)26-20(19(29)25-17)28-5-7-33-8-6-28/h9-10,13-15H,3-8,11-12H2,1-2H3,(H2,22,23,24)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50365513 (CHEMBL1957504) Show SMILES O=C(NCCN1CCOCC1)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C24H28N8O3/c33-24(25-4-5-30-6-10-34-11-7-30)21-16-32-15-20(17-2-1-3-19-18(17)14-26-29-19)27-22(23(32)28-21)31-8-12-35-13-9-31/h1-3,14-16H,4-13H2,(H,25,33)(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3 Curated by ChEMBL					Assay Description Inhibition of human PI3K p110delta/p85alpha				Bioorg Med Chem Lett 22: 1874-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.074 BindingDB Entry DOI: 10.7270/Q29Z95DX
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420719 (CHEMBL2087479) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2C(F)(F)F)CC1 Show InChI InChI=1S/C21H26F3N9O3S/c1-37(34,35)33-4-2-30(3-5-33)11-14-12-32-13-16(15-10-26-20(25)29-17(15)21(22,23)24)28-19(18(32)27-14)31-6-8-36-9-7-31/h10,12-13H,2-9,11H2,1H3,(H2,25,26,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50365507 (CHEMBL1957498) Show SMILES CS(=O)(=O)N1CCN(Cc2nc3c(nc(cn3c2Br)-c2cccc3[nH]ncc23)N2CCOCC2)CC1 Show InChI InChI=1S/C23H27BrN8O3S/c1-36(33,34)31-7-5-29(6-8-31)14-20-21(24)32-15-19(16-3-2-4-18-17(16)13-25-28-18)26-22(23(32)27-20)30-9-11-35-12-10-30/h2-4,13,15H,5-12,14H2,1H3,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3 Curated by ChEMBL					Assay Description Inhibition of human PI3K p110delta/p85alpha				Bioorg Med Chem Lett 22: 1874-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.074 BindingDB Entry DOI: 10.7270/Q29Z95DX
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50420730 (CHEMBL2087493) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C20H26ClN9O3S/c1-34(31,32)29-4-2-27(3-5-29)12-15-13-30-17(21)16(14-10-23-20(22)24-11-14)26-18(19(30)25-15)28-6-8-33-9-7-28/h10-11,13H,2-9,12H2,1H3,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta (p110delta/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420703 (CHEMBL2087492) Show SMILES Cc1c(CN2CCN(CC2)S(C)(=O)=O)nc2c(nc(cn12)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C21H29N9O3S/c1-15-17(13-27-3-5-29(6-4-27)34(2,31)32)25-20-19(28-7-9-33-10-8-28)26-18(14-30(15)20)16-11-23-21(22)24-12-16/h11-12,14H,3-10,13H2,1-2H3,(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50420714 (CHEMBL2087474) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C20H27N9O3S/c1-33(30,31)29-4-2-26(3-5-29)12-16-13-28-14-17(15-10-22-20(21)23-11-15)25-19(18(28)24-16)27-6-8-32-9-7-27/h10-11,13-14H,2-9,12H2,1H3,(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	14.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta (p110delta/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50420736 (CHEMBL2087483) Show SMILES C[C@H]1CN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CCN1S(C)(=O)=O |r| Show InChI InChI=1S/C21H29N9O3S/c1-15-11-27(3-4-30(15)34(2,31)32)12-17-13-29-14-18(16-9-23-21(22)24-10-16)26-20(19(29)25-17)28-5-7-33-8-6-28/h9-10,13-15H,3-8,11-12H2,1-2H3,(H2,22,23,24)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta (p110delta/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50420703 (CHEMBL2087492) Show SMILES Cc1c(CN2CCN(CC2)S(C)(=O)=O)nc2c(nc(cn12)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C21H29N9O3S/c1-15-17(13-27-3-5-29(6-4-27)34(2,31)32)25-20-19(28-7-9-33-10-8-28)26-18(14-30(15)20)16-11-23-21(22)24-12-16/h11-12,14H,3-10,13H2,1-2H3,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta (p110delta/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50365511 (CHEMBL1957502) Show SMILES CNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C19H19N7O2/c1-20-19(27)16-11-26-10-15(12-3-2-4-14-13(12)9-21-24-14)22-17(18(26)23-16)25-5-7-28-8-6-25/h2-4,9-11H,5-8H2,1H3,(H,20,27)(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3 Curated by ChEMBL					Assay Description Inhibition of human PI3K p110delta/p85alpha				Bioorg Med Chem Lett 22: 1874-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.074 BindingDB Entry DOI: 10.7270/Q29Z95DX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50420719 (CHEMBL2087479) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2C(F)(F)F)CC1 Show InChI InChI=1S/C21H26F3N9O3S/c1-37(34,35)33-4-2-30(3-5-33)11-14-12-32-13-16(15-10-26-20(25)29-17(15)21(22,23)24)28-19(18(32)27-14)31-6-8-36-9-7-31/h10,12-13H,2-9,11H2,1H3,(H2,25,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kgamma by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50365506 (CHEMBL1957497) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C23H28N8O3S/c1-35(32,33)31-7-5-28(6-8-31)14-17-15-30-16-21(18-3-2-4-20-19(18)13-24-27-20)26-23(22(30)25-17)29-9-11-34-12-10-29/h2-4,13,15-16H,5-12,14H2,1H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3 Curated by ChEMBL					Assay Description Inhibition of human PI3K p110delta/p85alpha				Bioorg Med Chem Lett 22: 1874-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.074 BindingDB Entry DOI: 10.7270/Q29Z95DX
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50365508 (CHEMBL1957499) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(C#N)c(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C24H27N9O3S/c1-37(34,35)32-7-5-30(6-8-32)15-17-16-33-21(13-25)22(18-3-2-4-20-19(18)14-26-29-20)28-23(24(33)27-17)31-9-11-36-12-10-31/h2-4,14,16H,5-12,15H2,1H3,(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3 Curated by ChEMBL					Assay Description Inhibition of human PI3K p110delta/p85alpha				Bioorg Med Chem Lett 22: 1874-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.074 BindingDB Entry DOI: 10.7270/Q29Z95DX
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50365514 (CHEMBL1957505) Show SMILES CN(C)CCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C23H28N8O2/c1-29(2)8-4-7-24-23(32)20-15-31-14-19(16-5-3-6-18-17(16)13-25-28-18)26-21(22(31)27-20)30-9-11-33-12-10-30/h3,5-6,13-15H,4,7-12H2,1-2H3,(H,24,32)(H,25,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3 Curated by ChEMBL					Assay Description Inhibition of human PI3K p110alpha/p85alpha				Bioorg Med Chem Lett 22: 1874-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.074 BindingDB Entry DOI: 10.7270/Q29Z95DX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50420703 (CHEMBL2087492) Show SMILES Cc1c(CN2CCN(CC2)S(C)(=O)=O)nc2c(nc(cn12)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C21H29N9O3S/c1-15-17(13-27-3-5-29(6-4-27)34(2,31)32)25-20-19(28-7-9-33-10-8-28)26-18(14-30(15)20)16-11-23-21(22)24-12-16/h11-12,14H,3-10,13H2,1-2H3,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kgamma by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50365517 (CHEMBL1957508) Show SMILES COCCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C22H25N7O3/c1-31-9-3-6-23-22(30)19-14-29-13-18(15-4-2-5-17-16(15)12-24-27-17)25-20(21(29)26-19)28-7-10-32-11-8-28/h2,4-5,12-14H,3,6-11H2,1H3,(H,23,30)(H,24,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3 Curated by ChEMBL					Assay Description Inhibition of human PI3K p110alpha/p85alpha				Bioorg Med Chem Lett 22: 1874-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.074 BindingDB Entry DOI: 10.7270/Q29Z95DX
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50365509 (CHEMBL1957500) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C23H27ClN8O3S/c1-36(33,34)31-7-5-29(6-8-31)14-16-15-32-21(24)20(17-3-2-4-19-18(17)13-25-28-19)27-22(23(32)26-16)30-9-11-35-12-10-30/h2-4,13,15H,5-12,14H2,1H3,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3 Curated by ChEMBL					Assay Description Inhibition of human PI3K p110delta/p85alpha				Bioorg Med Chem Lett 22: 1874-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.074 BindingDB Entry DOI: 10.7270/Q29Z95DX
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50365513 (CHEMBL1957504) Show SMILES O=C(NCCN1CCOCC1)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C24H28N8O3/c33-24(25-4-5-30-6-10-34-11-7-30)21-16-32-15-20(17-2-1-3-19-18(17)14-26-29-19)27-22(23(32)28-21)31-8-12-35-13-9-31/h1-3,14-16H,4-13H2,(H,25,33)(H,26,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3 Curated by ChEMBL					Assay Description Inhibition of human PI3K p110alpha/p85alpha				Bioorg Med Chem Lett 22: 1874-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.074 BindingDB Entry DOI: 10.7270/Q29Z95DX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50420730 (CHEMBL2087493) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C20H26ClN9O3S/c1-34(31,32)29-4-2-27(3-5-29)12-15-13-30-17(21)16(14-10-23-20(22)24-11-14)26-18(19(30)25-15)28-6-8-33-9-7-28/h10-11,13H,2-9,12H2,1H3,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kgamma by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50365507 (CHEMBL1957498) Show SMILES CS(=O)(=O)N1CCN(Cc2nc3c(nc(cn3c2Br)-c2cccc3[nH]ncc23)N2CCOCC2)CC1 Show InChI InChI=1S/C23H27BrN8O3S/c1-36(33,34)31-7-5-29(6-8-31)14-20-21(24)32-15-19(16-3-2-4-18-17(16)13-25-28-18)26-22(23(32)27-20)30-9-11-35-12-10-30/h2-4,13,15H,5-12,14H2,1H3,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3 Curated by ChEMBL					Assay Description Inhibition of human PI3K p110alpha/p85alpha				Bioorg Med Chem Lett 22: 1874-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.074 BindingDB Entry DOI: 10.7270/Q29Z95DX
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50365511 (CHEMBL1957502) Show SMILES CNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C19H19N7O2/c1-20-19(27)16-11-26-10-15(12-3-2-4-14-13(12)9-21-24-14)22-17(18(26)23-16)25-5-7-28-8-6-25/h2-4,9-11H,5-8H2,1H3,(H,20,27)(H,21,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3 Curated by ChEMBL					Assay Description Inhibition of human PI3K p110alpha/p85alpha				Bioorg Med Chem Lett 22: 1874-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.074 BindingDB Entry DOI: 10.7270/Q29Z95DX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50420736 (CHEMBL2087483) Show SMILES C[C@H]1CN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CCN1S(C)(=O)=O |r| Show InChI InChI=1S/C21H29N9O3S/c1-15-11-27(3-4-30(15)34(2,31)32)12-17-13-29-14-18(16-9-23-21(22)24-10-16)26-20(19(29)25-17)28-5-7-33-8-6-28/h9-10,13-15H,3-8,11-12H2,1-2H3,(H2,22,23,24)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kgamma by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50420714 (CHEMBL2087474) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C20H27N9O3S/c1-33(30,31)29-4-2-26(3-5-29)12-16-13-28-14-17(15-10-22-20(21)23-11-15)25-19(18(28)24-16)27-6-8-32-9-7-27/h10-11,13-14H,2-9,12H2,1H3,(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	179	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kgamma by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50365506 (CHEMBL1957497) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C23H28N8O3S/c1-35(32,33)31-7-5-28(6-8-31)14-17-15-30-16-21(18-3-2-4-20-19(18)13-24-27-20)26-23(22(30)25-17)29-9-11-34-12-10-29/h2-4,13,15-16H,5-12,14H2,1H3,(H,24,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	181	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3 Curated by ChEMBL					Assay Description Inhibition of human PI3K p110alpha/p85alpha				Bioorg Med Chem Lett 22: 1874-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.074 BindingDB Entry DOI: 10.7270/Q29Z95DX
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50365509 (CHEMBL1957500) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C23H27ClN8O3S/c1-36(33,34)31-7-5-29(6-8-31)14-16-15-32-21(24)20(17-3-2-4-19-18(17)13-25-28-19)27-22(23(32)26-16)30-9-11-35-12-10-30/h2-4,13,15H,5-12,14H2,1H3,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3 Curated by ChEMBL					Assay Description Inhibition of human PI3K p110alpha/p85alpha				Bioorg Med Chem Lett 22: 1874-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.074 BindingDB Entry DOI: 10.7270/Q29Z95DX
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50365508 (CHEMBL1957499) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(C#N)c(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C24H27N9O3S/c1-37(34,35)32-7-5-30(6-8-32)15-17-16-33-21(13-25)22(18-3-2-4-20-19(18)14-26-29-20)28-23(24(33)27-17)31-9-11-36-12-10-31/h2-4,14,16H,5-12,15H2,1H3,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3 Curated by ChEMBL					Assay Description Inhibition of human PI3K p110alpha/p85alpha				Bioorg Med Chem Lett 22: 1874-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.074 BindingDB Entry DOI: 10.7270/Q29Z95DX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50365506 (CHEMBL1957497) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C23H28N8O3S/c1-35(32,33)31-7-5-28(6-8-31)14-17-15-30-16-21(18-3-2-4-20-19(18)13-24-27-20)26-23(22(30)25-17)29-9-11-34-12-10-29/h2-4,13,15-16H,5-12,14H2,1H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3 Curated by ChEMBL					Assay Description Inhibition of human PI3K p110gamma				Bioorg Med Chem Lett 22: 1874-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.074 BindingDB Entry DOI: 10.7270/Q29Z95DX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50365507 (CHEMBL1957498) Show SMILES CS(=O)(=O)N1CCN(Cc2nc3c(nc(cn3c2Br)-c2cccc3[nH]ncc23)N2CCOCC2)CC1 Show InChI InChI=1S/C23H27BrN8O3S/c1-36(33,34)31-7-5-29(6-8-31)14-20-21(24)32-15-19(16-3-2-4-18-17(16)13-25-28-18)26-22(23(32)27-20)30-9-11-35-12-10-30/h2-4,13,15H,5-12,14H2,1H3,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3 Curated by ChEMBL					Assay Description Inhibition of human PI3K p110gamma				Bioorg Med Chem Lett 22: 1874-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.074 BindingDB Entry DOI: 10.7270/Q29Z95DX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50365508 (CHEMBL1957499) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(C#N)c(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C24H27N9O3S/c1-37(34,35)32-7-5-30(6-8-32)15-17-16-33-21(13-25)22(18-3-2-4-20-19(18)14-26-29-20)28-23(24(33)27-17)31-9-11-36-12-10-31/h2-4,14,16H,5-12,15H2,1H3,(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3 Curated by ChEMBL					Assay Description Inhibition of human PI3K p110gamma				Bioorg Med Chem Lett 22: 1874-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.074 BindingDB Entry DOI: 10.7270/Q29Z95DX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50365517 (CHEMBL1957508) Show SMILES COCCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C22H25N7O3/c1-31-9-3-6-23-22(30)19-14-29-13-18(15-4-2-5-17-16(15)12-24-27-17)25-20(21(29)26-19)28-7-10-32-11-8-28/h2,4-5,12-14H,3,6-11H2,1H3,(H,23,30)(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3 Curated by ChEMBL					Assay Description Inhibition of human PI3K p110gamma				Bioorg Med Chem Lett 22: 1874-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.074 BindingDB Entry DOI: 10.7270/Q29Z95DX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50365511 (CHEMBL1957502) Show SMILES CNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C19H19N7O2/c1-20-19(27)16-11-26-10-15(12-3-2-4-14-13(12)9-21-24-14)22-17(18(26)23-16)25-5-7-28-8-6-25/h2-4,9-11H,5-8H2,1H3,(H,20,27)(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3 Curated by ChEMBL					Assay Description Inhibition of human PI3K p110gamma				Bioorg Med Chem Lett 22: 1874-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.074 BindingDB Entry DOI: 10.7270/Q29Z95DX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50365513 (CHEMBL1957504) Show SMILES O=C(NCCN1CCOCC1)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C24H28N8O3/c33-24(25-4-5-30-6-10-34-11-7-30)21-16-32-15-20(17-2-1-3-19-18(17)14-26-29-19)27-22(23(32)28-21)31-8-12-35-13-9-31/h1-3,14-16H,4-13H2,(H,25,33)(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3 Curated by ChEMBL					Assay Description Inhibition of human PI3K p110gamma				Bioorg Med Chem Lett 22: 1874-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.074 BindingDB Entry DOI: 10.7270/Q29Z95DX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50365514 (CHEMBL1957505) Show SMILES CN(C)CCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12 Show InChI InChI=1S/C23H28N8O2/c1-29(2)8-4-7-24-23(32)20-15-31-14-19(16-5-3-6-18-17(16)13-25-28-18)26-21(22(31)27-20)30-9-11-33-12-10-30/h3,5-6,13-15H,4,7-12H2,1-2H3,(H,24,32)(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3 Curated by ChEMBL					Assay Description Inhibition of human PI3K p110gamma				Bioorg Med Chem Lett 22: 1874-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.074 BindingDB Entry DOI: 10.7270/Q29Z95DX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50365509 (CHEMBL1957500) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C23H27ClN8O3S/c1-36(33,34)31-7-5-29(6-8-31)14-16-15-32-21(24)20(17-3-2-4-19-18(17)13-25-28-19)27-22(23(32)26-16)30-9-11-35-12-10-30/h2-4,13,15H,5-12,14H2,1H3,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO). C/Melchor Fern£ndez Almagro 3 Curated by ChEMBL					Assay Description Inhibition of human PI3K p110gamma				Bioorg Med Chem Lett 22: 1874-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.074 BindingDB Entry DOI: 10.7270/Q29Z95DX
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420737 (CHEMBL2087491) Show SMILES CS(=O)(=O)N1CCN(Cc2nc3c(nc(cn3c2Br)-c2cnc(N)nc2)N2CCOCC2)CC1 Show InChI InChI=1S/C20H26BrN9O3S/c1-34(31,32)29-4-2-27(3-5-29)12-16-17(21)30-13-15(14-10-23-20(22)24-11-14)25-18(19(30)26-16)28-6-8-33-9-7-28/h10-11,13H,2-9,12H2,1H3,(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420714 (CHEMBL2087474) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C20H27N9O3S/c1-33(30,31)29-4-2-26(3-5-29)12-16-13-28-14-17(15-10-22-20(21)23-11-15)25-19(18(28)24-16)27-6-8-32-9-7-27/h10-11,13-14H,2-9,12H2,1H3,(H2,21,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.34	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420730 (CHEMBL2087493) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C20H26ClN9O3S/c1-34(31,32)29-4-2-27(3-5-29)12-15-13-30-17(21)16(14-10-23-20(22)24-11-14)26-18(19(30)25-15)28-6-8-33-9-7-28/h10-11,13H,2-9,12H2,1H3,(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420723 (CHEMBL2087484) Show SMILES C[C@@H]1CN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CCN1S(C)(=O)=O |r| Show InChI InChI=1S/C21H29N9O3S/c1-15-11-27(3-4-30(15)34(2,31)32)12-17-13-29-14-18(16-9-23-21(22)24-10-16)26-20(19(29)25-17)28-5-7-33-8-6-28/h9-10,13-15H,3-8,11-12H2,1-2H3,(H2,22,23,24)/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420722 (CHEMBL2087482) Show SMILES C[C@H]1CN(C[C@@H](C)N1Cc1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1)S(C)(=O)=O |r| Show InChI InChI=1S/C22H31N9O3S/c1-15-10-30(35(3,32)33)11-16(2)31(15)13-18-12-29-14-19(17-8-24-22(23)25-9-17)27-21(20(29)26-18)28-4-6-34-7-5-28/h8-9,12,14-16H,4-7,10-11,13H2,1-3H3,(H2,23,24,25)/t15-,16+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420730 (CHEMBL2087493) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C20H26ClN9O3S/c1-34(31,32)29-4-2-27(3-5-29)12-15-13-30-17(21)16(14-10-23-20(22)24-11-14)26-18(19(30)25-15)28-6-8-33-9-7-28/h10-11,13H,2-9,12H2,1H3,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha in human U2OS cells assessed as inhibition of AKT Ser 473 phosphorylation by Western blot				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420736 (CHEMBL2087483) Show SMILES C[C@H]1CN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CCN1S(C)(=O)=O |r| Show InChI InChI=1S/C21H29N9O3S/c1-15-11-27(3-4-30(15)34(2,31)32)12-17-13-29-14-18(16-9-23-21(22)24-10-16)26-20(19(29)25-17)28-5-7-33-8-6-28/h9-10,13-15H,3-8,11-12H2,1-2H3,(H2,22,23,24)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420731 (CHEMBL2087494) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2C(F)(F)F)CC1 Show InChI InChI=1S/C21H25ClF3N9O3S/c1-38(35,36)33-4-2-31(3-5-33)11-13-12-34-17(22)15(14-10-27-20(26)30-16(14)21(23,24)25)29-18(19(34)28-13)32-6-8-37-9-7-32/h10,12H,2-9,11H2,1H3,(H2,26,27,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420719 (CHEMBL2087479) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2C(F)(F)F)CC1 Show InChI InChI=1S/C21H26F3N9O3S/c1-37(34,35)33-4-2-30(3-5-33)11-14-12-32-13-16(15-10-26-20(25)29-17(15)21(22,23)24)28-19(18(32)27-14)31-6-8-36-9-7-31/h10,12-13H,2-9,11H2,1H3,(H2,25,26,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha (p110alpha/p85alpha) by ADP accumulation based HTRF assay				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420737 (CHEMBL2087491) Show SMILES CS(=O)(=O)N1CCN(Cc2nc3c(nc(cn3c2Br)-c2cnc(N)nc2)N2CCOCC2)CC1 Show InChI InChI=1S/C20H26BrN9O3S/c1-34(31,32)29-4-2-27(3-5-29)12-16-17(21)30-13-15(14-10-23-20(22)24-11-14)25-18(19(30)26-16)28-6-8-33-9-7-28/h10-11,13H,2-9,12H2,1H3,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha in human U2OS cells assessed as inhibition of AKT Ser 473 phosphorylation by Western blot				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50420714 (CHEMBL2087474) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C20H27N9O3S/c1-33(30,31)29-4-2-26(3-5-29)12-16-13-28-14-17(15-10-22-20(21)23-11-15)25-19(18(28)24-16)27-6-8-32-9-7-27/h10-11,13-14H,2-9,12H2,1H3,(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha in human U2OS cells assessed as inhibition of AKT Ser 473 phosphorylation by Western blot				Bioorg Med Chem Lett 22: 3460-6 (2012) Article DOI: 10.1016/j.bmcl.2012.03.090 BindingDB Entry DOI: 10.7270/Q26W9CCB
					More data for this Ligand-Target Pair

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