Compile Data Set for Download or QSAR

Found 1668 hits with Last Name = 'oyarzabal' and Initial = 'j'   

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))	BDBM50145416 (GSK2126458 | Omipalisib) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccnnc3)c2c1 Show InChI InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human p110alpha/p85alpha using PIP2 as substrate in presence of ATP measured by HTRF assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113109 BindingDB Entry DOI: 10.7270/Q2JH3QZ4
					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))	BDBM50570237 (CHEMBL4864407) Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnc3ccc-2cn13 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human p110delta/p85alpha using PIP2 as substrate in presence of ATP measured by HTRF assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113109 BindingDB Entry DOI: 10.7270/Q2JH3QZ4
					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))	BDBM50145416 (GSK2126458 | Omipalisib) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccnnc3)c2c1 Show InChI InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human p110delta/p85alpha using PIP2 as substrate in presence of ATP measured by HTRF assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113109 BindingDB Entry DOI: 10.7270/Q2JH3QZ4
					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))	BDBM50570237 (CHEMBL4864407) Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnc3ccc-2cn13 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of p110alpha H1047R mutant/p85alpha (unknown origin) using PIP2:3PS lipid kinase as substrate in presence of ATP measured by ADP-Glo lipid...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113109 BindingDB Entry DOI: 10.7270/Q2JH3QZ4
					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))	BDBM50570237 (CHEMBL4864407) Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnc3ccc-2cn13 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human p110alpha/p85alpha using PIP2 as substrate in presence of ATP measured by HTRF assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113109 BindingDB Entry DOI: 10.7270/Q2JH3QZ4
					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))	BDBM50570237 (CHEMBL4864407) Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnc3ccc-2cn13 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of p110alpha E542K mutant/p85alpha (unknown origin) using PIP2:3PS lipid kinase as substrate in presence of ATP measured by ADP-Glo lipid ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113109 BindingDB Entry DOI: 10.7270/Q2JH3QZ4
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50145416 (GSK2126458 | Omipalisib) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccnnc3)c2c1 Show InChI InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human p110gamma using PIP2 as substrate in presence of ATP measured by HTRF assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113109 BindingDB Entry DOI: 10.7270/Q2JH3QZ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50145416 (GSK2126458 | Omipalisib) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccnnc3)c2c1 Show InChI InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human p110beta/p85alpha using PIP2 as substrate in presence of ATP measured by HTRF assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113109 BindingDB Entry DOI: 10.7270/Q2JH3QZ4
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50570237 (CHEMBL4864407) Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnc3ccc-2cn13 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human p110beta/p85alpha using PIP2 as substrate in presence of ATP measured by HTRF assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113109 BindingDB Entry DOI: 10.7270/Q2JH3QZ4
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50570237 (CHEMBL4864407) Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnc3ccc-2cn13 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human p110gamma using PIP2 as substrate in presence of ATP measured by HTRF assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113109 BindingDB Entry DOI: 10.7270/Q2JH3QZ4
					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	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 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50388102 (CHEMBL2058172) Show SMILES COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha by HTRF assay				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					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
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50278540 (1-(6-((diethylamino)methyl)-1,2,3,4-tetrahydronaph...) Show SMILES CCN(CC)Cc1ccc2CC(CCc2c1)N1CCN(CCc2ccc(F)cc2)CC1=O Show InChI InChI=1S/C27H36FN3O/c1-3-29(4-2)19-22-5-8-24-18-26(12-9-23(24)17-22)31-16-15-30(20-27(31)32)14-13-21-6-10-25(28)11-7-21/h5-8,10-11,17,26H,3-4,9,12-16,18-20H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical R&D Curated by ChEMBL					Assay Description Antagonist activity at MCH1R (unknown origin)				J Med Chem 52: 2076-89 (2009) Article DOI: 10.1021/jm8016199 BindingDB Entry DOI: 10.7270/Q2QN66NZ
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50278501 (2-(4-chlorophenyl)-5-(1-methyl-3-(2-(pyrrolidin-1-...) Show SMILES Cn1cc(CCN2CCCC2)c2ccc(cc12)-n1ccc2nc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H25ClN4OS/c1-30-17-19(10-14-31-12-2-3-13-31)22-9-8-21(16-24(22)30)32-15-11-23-25(27(32)33)34-26(29-23)18-4-6-20(28)7-5-18/h4-9,11,15-17H,2-3,10,12-14H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical R&D Curated by ChEMBL					Assay Description Antagonist activity at MCH1R (unknown origin)				J Med Chem 52: 2076-89 (2009) Article DOI: 10.1021/jm8016199 BindingDB Entry DOI: 10.7270/Q2QN66NZ
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50278539 ((R)-6-(6-(3-(methylamino)pyrrolidin-1-yl)pyridin-3...) Show SMILES CN[C@@H]1CCN(C1)c1ccc(cn1)-n1ccc2cc(sc2c1=O)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C24H21F3N4OS/c1-28-18-9-10-30(14-18)21-7-6-19(13-29-21)31-11-8-16-12-20(33-22(16)23(31)32)15-2-4-17(5-3-15)24(25,26)27/h2-8,11-13,18,28H,9-10,14H2,1H3/t18-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical R&D Curated by ChEMBL					Assay Description Antagonist activity at MCH1R (unknown origin)				J Med Chem 52: 2076-89 (2009) Article DOI: 10.1021/jm8016199 BindingDB Entry DOI: 10.7270/Q2QN66NZ
					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 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50388102 (CHEMBL2058172) Show SMILES COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Curated by ChEMBL					Assay Description Inhibition of human PI3Kdelta by HTRF assay				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					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 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50388102 (CHEMBL2058172) Show SMILES COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	62.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma assessed as accumulation of ADP				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					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 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
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50278541 (2-(4-chlorophenyl)-6-(3-methoxy-4-(2-(pyrrolidin-1...) Show SMILES COc1cc(ccc1OCCN1CCCC1)-c1cnc2[nH]c(cn2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H25ClN4O3/c1-32-23-14-18(6-9-22(23)33-13-12-29-10-2-3-11-29)20-15-27-25-28-21(16-30(25)24(20)31)17-4-7-19(26)8-5-17/h4-9,14-16H,2-3,10-13H2,1H3,(H,27,28)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical R&D Curated by ChEMBL					Assay Description Antagonist activity at MCH1R (unknown origin)				J Med Chem 52: 2076-89 (2009) Article DOI: 10.1021/jm8016199 BindingDB Entry DOI: 10.7270/Q2QN66NZ
					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 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50388102 (CHEMBL2058172) Show SMILES COCCNC(=O)c1nc2c(nc(cn2c1C)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C19H24N8O3/c1-12-15(18(28)21-3-6-29-2)25-17-16(26-4-7-30-8-5-26)24-14(11-27(12)17)13-9-22-19(20)23-10-13/h9-11H,3-8H2,1-2H3,(H,21,28)(H2,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	94.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre Curated by ChEMBL					Assay Description Inhibition of human PI3Kbeta by HTRF assay				Bioorg Med Chem Lett 22: 5208-14 (2012) Article DOI: 10.1016/j.bmcl.2012.06.093 BindingDB Entry DOI: 10.7270/Q24Q7W1Z
					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
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50211166 (1-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-...) Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cc(O)n(-c2ccc(Oc3ccccc3)cc2)c1=O Show InChI InChI=1S/C28H29N3O5/c1-34-26-19-22(11-14-25(26)35-18-17-29-15-5-6-16-29)30-20-27(32)31(28(30)33)21-9-12-24(13-10-21)36-23-7-3-2-4-8-23/h2-4,7-14,19-20,32H,5-6,15-18H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	164	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical R&D Curated by ChEMBL					Assay Description Antagonist activity at MCH1R (unknown origin)				J Med Chem 52: 2076-89 (2009) Article DOI: 10.1021/jm8016199 BindingDB Entry DOI: 10.7270/Q2QN66NZ
					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

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