Compile Data Set for Download or QSAR

Found 861 hits with Last Name = 'blanco-aparicio' and Initial = 'c'   

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 delta isoform (Homo sapiens (Human))	BDBM50579634 (CHEMBL4860369) Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PI3K p110delta/p85alpha by HTRF assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00412 BindingDB Entry DOI: 10.7270/Q2FX7F91
					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 delta isoform (Homo sapiens (Human))	BDBM50579637 (CHEMBL4878958) Show SMILES COc1ncc-2cc1NS(=O)(=O)c1ccc(F)c(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PI3K p110delta/p85alpha by HTRF assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00412 BindingDB Entry DOI: 10.7270/Q2FX7F91
					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 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50579637 (CHEMBL4878958) Show SMILES COc1ncc-2cc1NS(=O)(=O)c1ccc(F)c(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PI3Kgamma by HTRF assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00412 BindingDB Entry DOI: 10.7270/Q2FX7F91
					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))	BDBM50579634 (CHEMBL4860369) Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PI3K p110alpha/p85alpha by HTRF assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00412 BindingDB Entry DOI: 10.7270/Q2FX7F91
					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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50579637 (CHEMBL4878958) Show SMILES COc1ncc-2cc1NS(=O)(=O)c1ccc(F)c(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	MCE 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 human PI3K p110alpha/p85alpha by HTRF assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00412 BindingDB Entry DOI: 10.7270/Q2FX7F91
					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))	BDBM50579637 (CHEMBL4878958) Show SMILES COc1ncc-2cc1NS(=O)(=O)c1ccc(F)c(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PI3K p110beta/p85alpha by HTRF assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00412 BindingDB Entry DOI: 10.7270/Q2FX7F91
					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))	BDBM50579634 (CHEMBL4860369) Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13 Show InChI	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PI3K p110beta/p85alpha by HTRF assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00412 BindingDB Entry DOI: 10.7270/Q2FX7F91
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50579634 (CHEMBL4860369) Show SMILES COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human PI3Kgamma by HTRF assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00412 BindingDB Entry DOI: 10.7270/Q2FX7F91
					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))	BDBM50451425 (CHEMBL4212439) Show SMILES CS(=O)(=O)N1CCN(Cc2cc3c(nc(cn3n2)-c2cnc(N)nc2)N2CCOCC2)CC1 Show InChI InChI=1S/C20H27N9O3S/c1-33(30,31)28-4-2-26(3-5-28)13-16-10-18-19(27-6-8-32-9-7-27)24-17(14-29(18)25-16)15-11-22-20(21)23-12-15/h10-12,14H,2-9,13H2,1H3,(H2,21,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.990	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 full-length human P110alpha (1 to 1068 residues)/N-terminal GST-fused p85alpha (1 to 724 residues) expressed in baculovirus expression ...				Bioorg Med Chem Lett 27: 4794-4799 (2017) Article DOI: 10.1016/j.bmcl.2017.09.059 BindingDB Entry DOI: 10.7270/Q2F76G4X
					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))	BDBM50451423 (CHEMBL4217392) Show SMILES CS(=O)(=O)N1CCN(Cc2nc3c(nc(cn3n2)-c2cnc(N)nc2)N2CCOCC2)CC1 Show InChI InChI=1S/C19H26N10O3S/c1-33(30,31)28-4-2-26(3-5-28)13-16-24-18-17(27-6-8-32-9-7-27)23-15(12-29(18)25-16)14-10-21-19(20)22-11-14/h10-12H,2-9,13H2,1H3,(H2,20,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	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 full-length human P110alpha (1 to 1068 residues)/N-terminal GST-fused p85alpha (1 to 724 residues) expressed in baculovirus expression ...				Bioorg Med Chem Lett 27: 4794-4799 (2017) Article DOI: 10.1016/j.bmcl.2017.09.059 BindingDB Entry DOI: 10.7270/Q2F76G4X
					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))	BDBM50451426 (CHEMBL4208064) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3nc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C19H26N10O3S/c1-33(30,31)28-4-2-26(3-5-28)12-15-13-29-18(23-15)17(27-6-8-32-9-7-27)24-16(25-29)14-10-21-19(20)22-11-14/h10-11,13H,2-9,12H2,1H3,(H2,20,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	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 full-length human P110alpha (1 to 1068 residues)/N-terminal GST-fused p85alpha (1 to 724 residues) expressed in baculovirus expression ...				Bioorg Med Chem Lett 27: 4794-4799 (2017) Article DOI: 10.1016/j.bmcl.2017.09.059 BindingDB Entry DOI: 10.7270/Q2F76G4X
					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))	BDBM50451427 (CHEMBL4212973) Show SMILES CS(=O)(=O)N1CCN(Cc2cc3c(nc(c(Cl)n3n2)-c2cnc(N)nc2)N2CCOCC2)CC1 Show InChI InChI=1S/C20H26ClN9O3S/c1-34(31,32)29-4-2-27(3-5-29)13-15-10-16-19(28-6-8-33-9-7-28)25-17(18(21)30(16)26-15)14-11-23-20(22)24-12-14/h10-12H,2-9,13H2,1H3,(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10	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 full-length human P110alpha (1 to 1068 residues)/N-terminal GST-fused p85alpha (1 to 724 residues) expressed in baculovirus expression ...				Bioorg Med Chem Lett 27: 4794-4799 (2017) Article DOI: 10.1016/j.bmcl.2017.09.059 BindingDB Entry DOI: 10.7270/Q2F76G4X
					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 full-length human P110alpha (1 to 1068 residues)/N-terminal GST-fused p85alpha (1 to 724 residues) expressed in baculovirus expression ...				Bioorg Med Chem Lett 27: 4794-4799 (2017) Article DOI: 10.1016/j.bmcl.2017.09.059 BindingDB Entry DOI: 10.7270/Q2F76G4X
					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 delta isoform (Homo sapiens (Human))	BDBM50451424 (CHEMBL4205584) Show SMILES CS(=O)(=O)N1CCN(Cc2nc3c(nc(-c4cnc(N)nc4)c(Cl)n3n2)N2CCOCC2)CC1 Show InChI InChI=1S/C19H25ClN10O3S/c1-34(31,32)29-4-2-27(3-5-29)12-14-24-18-17(28-6-8-33-9-7-28)25-15(16(20)30(18)26-14)13-10-22-19(21)23-11-13/h10-11H,2-9,12H2,1H3,(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40	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 recombinant human full-length N-terminal His6-tagged p110delta/human full-length p85alpha expressed in baculovirus infected Sf21 insect...				Bioorg Med Chem Lett 27: 4794-4799 (2017) Article DOI: 10.1016/j.bmcl.2017.09.059 BindingDB Entry DOI: 10.7270/Q2F76G4X
					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))	BDBM50451424 (CHEMBL4205584) Show SMILES CS(=O)(=O)N1CCN(Cc2nc3c(nc(-c4cnc(N)nc4)c(Cl)n3n2)N2CCOCC2)CC1 Show InChI InChI=1S/C19H25ClN10O3S/c1-34(31,32)29-4-2-27(3-5-29)12-14-24-18-17(28-6-8-33-9-7-28)25-15(16(20)30(18)26-14)13-10-22-19(21)23-11-13/h10-11H,2-9,12H2,1H3,(H2,21,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.5	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 full-length human P110alpha (1 to 1068 residues)/N-terminal GST-fused p85alpha (1 to 724 residues) expressed in baculovirus expression ...				Bioorg Med Chem Lett 27: 4794-4799 (2017) Article DOI: 10.1016/j.bmcl.2017.09.059 BindingDB Entry DOI: 10.7270/Q2F76G4X
					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))	BDBM50451423 (CHEMBL4217392) Show SMILES CS(=O)(=O)N1CCN(Cc2nc3c(nc(cn3n2)-c2cnc(N)nc2)N2CCOCC2)CC1 Show InChI InChI=1S/C19H26N10O3S/c1-33(30,31)28-4-2-26(3-5-28)13-16-24-18-17(27-6-8-32-9-7-27)23-15(12-29(18)25-16)14-10-21-19(20)22-11-14/h10-12H,2-9,13H2,1H3,(H2,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30	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 recombinant human full-length N-terminal His6-tagged p110delta/human full-length p85alpha expressed in baculovirus infected Sf21 insect...				Bioorg Med Chem Lett 27: 4794-4799 (2017) Article DOI: 10.1016/j.bmcl.2017.09.059 BindingDB Entry DOI: 10.7270/Q2F76G4X
					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))	BDBM50451425 (CHEMBL4212439) Show SMILES CS(=O)(=O)N1CCN(Cc2cc3c(nc(cn3n2)-c2cnc(N)nc2)N2CCOCC2)CC1 Show InChI InChI=1S/C20H27N9O3S/c1-33(30,31)28-4-2-26(3-5-28)13-16-10-18-19(27-6-8-32-9-7-27)24-17(14-29(18)25-16)15-11-22-20(21)23-12-15/h10-12,14H,2-9,13H2,1H3,(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	7.10	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 recombinant human full-length N-terminal His6-tagged p110delta/human full-length p85alpha expressed in baculovirus infected Sf21 insect...				Bioorg Med Chem Lett 27: 4794-4799 (2017) Article DOI: 10.1016/j.bmcl.2017.09.059 BindingDB Entry DOI: 10.7270/Q2F76G4X
					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))	BDBM50451427 (CHEMBL4212973) Show SMILES CS(=O)(=O)N1CCN(Cc2cc3c(nc(c(Cl)n3n2)-c2cnc(N)nc2)N2CCOCC2)CC1 Show InChI InChI=1S/C20H26ClN9O3S/c1-34(31,32)29-4-2-27(3-5-29)13-15-10-16-19(28-6-8-33-9-7-28)25-17(18(21)30(16)26-15)14-11-23-20(22)24-12-14/h10-12H,2-9,13H2,1H3,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.40	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 recombinant human full-length N-terminal His6-tagged p110delta/human full-length p85alpha expressed in baculovirus infected Sf21 insect...				Bioorg Med Chem Lett 27: 4794-4799 (2017) Article DOI: 10.1016/j.bmcl.2017.09.059 BindingDB Entry DOI: 10.7270/Q2F76G4X
					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	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 recombinant human full-length N-terminal His6-tagged p110delta/human full-length p85alpha expressed in baculovirus infected Sf21 insect...				Bioorg Med Chem Lett 27: 4794-4799 (2017) Article DOI: 10.1016/j.bmcl.2017.09.059 BindingDB Entry DOI: 10.7270/Q2F76G4X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50451427 (CHEMBL4212973) Show SMILES CS(=O)(=O)N1CCN(Cc2cc3c(nc(c(Cl)n3n2)-c2cnc(N)nc2)N2CCOCC2)CC1 Show InChI InChI=1S/C20H26ClN9O3S/c1-34(31,32)29-4-2-27(3-5-29)13-15-10-16-19(28-6-8-33-9-7-28)25-17(18(21)30(16)26-15)14-11-23-20(22)24-12-14/h10-12H,2-9,13H2,1H3,(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	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 recombinant full-length human N-terminal His6-tagged p110gamma expressed in baculovirus infected Sf21 insect cells using PIP2 as substr...				Bioorg Med Chem Lett 27: 4794-4799 (2017) Article DOI: 10.1016/j.bmcl.2017.09.059 BindingDB Entry DOI: 10.7270/Q2F76G4X
					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))	BDBM50451426 (CHEMBL4208064) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3nc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C19H26N10O3S/c1-33(30,31)28-4-2-26(3-5-28)12-15-13-29-18(23-15)17(27-6-8-32-9-7-27)24-16(25-29)14-10-21-19(20)22-11-14/h10-11,13H,2-9,12H2,1H3,(H2,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	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 recombinant human full-length N-terminal His6-tagged p110delta/human full-length p85alpha expressed in baculovirus infected Sf21 insect...				Bioorg Med Chem Lett 27: 4794-4799 (2017) Article DOI: 10.1016/j.bmcl.2017.09.059 BindingDB Entry DOI: 10.7270/Q2F76G4X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50451423 (CHEMBL4217392) Show SMILES CS(=O)(=O)N1CCN(Cc2nc3c(nc(cn3n2)-c2cnc(N)nc2)N2CCOCC2)CC1 Show InChI InChI=1S/C19H26N10O3S/c1-33(30,31)28-4-2-26(3-5-28)13-16-24-18-17(27-6-8-32-9-7-27)23-15(12-29(18)25-16)14-10-21-19(20)22-11-14/h10-12H,2-9,13H2,1H3,(H2,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	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 recombinant full-length human N-terminal His6-tagged p110gamma expressed in baculovirus infected Sf21 insect cells using PIP2 as substr...				Bioorg Med Chem Lett 27: 4794-4799 (2017) Article DOI: 10.1016/j.bmcl.2017.09.059 BindingDB Entry DOI: 10.7270/Q2F76G4X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50451426 (CHEMBL4208064) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3nc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C19H26N10O3S/c1-33(30,31)28-4-2-26(3-5-28)12-15-13-29-18(23-15)17(27-6-8-32-9-7-27)24-16(25-29)14-10-21-19(20)22-11-14/h10-11,13H,2-9,12H2,1H3,(H2,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	41	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 recombinant full-length human N-terminal His6-tagged p110gamma expressed in baculovirus infected Sf21 insect cells using PIP2 as substr...				Bioorg Med Chem Lett 27: 4794-4799 (2017) Article DOI: 10.1016/j.bmcl.2017.09.059 BindingDB Entry DOI: 10.7270/Q2F76G4X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50451424 (CHEMBL4205584) Show SMILES CS(=O)(=O)N1CCN(Cc2nc3c(nc(-c4cnc(N)nc4)c(Cl)n3n2)N2CCOCC2)CC1 Show InChI InChI=1S/C19H25ClN10O3S/c1-34(31,32)29-4-2-27(3-5-29)12-14-24-18-17(28-6-8-33-9-7-28)25-15(16(20)30(18)26-14)13-10-22-19(21)23-11-13/h10-11H,2-9,12H2,1H3,(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	42	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 recombinant full-length human N-terminal His6-tagged p110gamma expressed in baculovirus infected Sf21 insect cells using PIP2 as substr...				Bioorg Med Chem Lett 27: 4794-4799 (2017) Article DOI: 10.1016/j.bmcl.2017.09.059 BindingDB Entry DOI: 10.7270/Q2F76G4X
					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))	BDBM50451425 (CHEMBL4212439) Show SMILES CS(=O)(=O)N1CCN(Cc2cc3c(nc(cn3n2)-c2cnc(N)nc2)N2CCOCC2)CC1 Show InChI InChI=1S/C20H27N9O3S/c1-33(30,31)28-4-2-26(3-5-28)13-16-10-18-19(27-6-8-32-9-7-27)24-17(14-29(18)25-16)15-11-22-20(21)23-12-15/h10-12,14H,2-9,13H2,1H3,(H2,21,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	49	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 p110beta/85alpha (unknown origin) using PIP2 as substrate by HTRF assay				Bioorg Med Chem Lett 27: 4794-4799 (2017) Article DOI: 10.1016/j.bmcl.2017.09.059 BindingDB Entry DOI: 10.7270/Q2F76G4X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50451425 (CHEMBL4212439) Show SMILES CS(=O)(=O)N1CCN(Cc2cc3c(nc(cn3n2)-c2cnc(N)nc2)N2CCOCC2)CC1 Show InChI InChI=1S/C20H27N9O3S/c1-33(30,31)28-4-2-26(3-5-28)13-16-10-18-19(27-6-8-32-9-7-27)24-17(14-29(18)25-16)15-11-22-20(21)23-12-15/h10-12,14H,2-9,13H2,1H3,(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	49	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 recombinant full-length human N-terminal His6-tagged p110gamma expressed in baculovirus infected Sf21 insect cells using PIP2 as substr...				Bioorg Med Chem Lett 27: 4794-4799 (2017) Article DOI: 10.1016/j.bmcl.2017.09.059 BindingDB Entry DOI: 10.7270/Q2F76G4X
					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 beta isoform (Homo sapiens (Human))	BDBM50451427 (CHEMBL4212973) Show SMILES CS(=O)(=O)N1CCN(Cc2cc3c(nc(c(Cl)n3n2)-c2cnc(N)nc2)N2CCOCC2)CC1 Show InChI InChI=1S/C20H26ClN9O3S/c1-34(31,32)29-4-2-27(3-5-29)13-15-10-16-19(28-6-8-33-9-7-28)25-17(18(21)30(16)26-15)14-11-23-20(22)24-12-14/h10-12H,2-9,13H2,1H3,(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	72	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 p110beta/85alpha (unknown origin) using PIP2 as substrate by HTRF assay				Bioorg Med Chem Lett 27: 4794-4799 (2017) Article DOI: 10.1016/j.bmcl.2017.09.059 BindingDB Entry DOI: 10.7270/Q2F76G4X
					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 beta isoform (Homo sapiens (Human))	BDBM50451423 (CHEMBL4217392) Show SMILES CS(=O)(=O)N1CCN(Cc2nc3c(nc(cn3n2)-c2cnc(N)nc2)N2CCOCC2)CC1 Show InChI InChI=1S/C19H26N10O3S/c1-33(30,31)28-4-2-26(3-5-28)13-16-24-18-17(27-6-8-32-9-7-27)23-15(12-29(18)25-16)14-10-21-19(20)22-11-14/h10-12H,2-9,13H2,1H3,(H2,20,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	155	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 p110beta/85alpha (unknown origin) using PIP2 as substrate by HTRF assay				Bioorg Med Chem Lett 27: 4794-4799 (2017) Article DOI: 10.1016/j.bmcl.2017.09.059 BindingDB Entry DOI: 10.7270/Q2F76G4X
					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))	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	170	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 p110beta/85alpha (unknown origin) using PIP2 as substrate by HTRF assay				Bioorg Med Chem Lett 27: 4794-4799 (2017) Article DOI: 10.1016/j.bmcl.2017.09.059 BindingDB Entry DOI: 10.7270/Q2F76G4X
					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 recombinant full-length human N-terminal His6-tagged p110gamma expressed in baculovirus infected Sf21 insect cells using PIP2 as substr...				Bioorg Med Chem Lett 27: 4794-4799 (2017) Article DOI: 10.1016/j.bmcl.2017.09.059 BindingDB Entry DOI: 10.7270/Q2F76G4X
					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))	BDBM50451424 (CHEMBL4205584) Show SMILES CS(=O)(=O)N1CCN(Cc2nc3c(nc(-c4cnc(N)nc4)c(Cl)n3n2)N2CCOCC2)CC1 Show InChI InChI=1S/C19H25ClN10O3S/c1-34(31,32)29-4-2-27(3-5-29)12-14-24-18-17(28-6-8-33-9-7-28)25-15(16(20)30(18)26-14)13-10-22-19(21)23-11-13/h10-11H,2-9,12H2,1H3,(H2,21,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	285	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 p110beta/85alpha (unknown origin) using PIP2 as substrate by HTRF assay				Bioorg Med Chem Lett 27: 4794-4799 (2017) Article DOI: 10.1016/j.bmcl.2017.09.059 BindingDB Entry DOI: 10.7270/Q2F76G4X
					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))	BDBM50451426 (CHEMBL4208064) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3nc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C19H26N10O3S/c1-33(30,31)28-4-2-26(3-5-28)12-15-13-29-18(23-15)17(27-6-8-32-9-7-27)24-16(25-29)14-10-21-19(20)22-11-14/h10-11,13H,2-9,12H2,1H3,(H2,20,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	388	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 p110beta/85alpha (unknown origin) using PIP2 as substrate by HTRF assay				Bioorg Med Chem Lett 27: 4794-4799 (2017) Article DOI: 10.1016/j.bmcl.2017.09.059 BindingDB Entry DOI: 10.7270/Q2F76G4X
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50451423 (CHEMBL4217392) Show SMILES CS(=O)(=O)N1CCN(Cc2nc3c(nc(cn3n2)-c2cnc(N)nc2)N2CCOCC2)CC1 Show InChI InChI=1S/C19H26N10O3S/c1-33(30,31)28-4-2-26(3-5-28)13-16-24-18-17(27-6-8-32-9-7-27)23-15(12-29(18)25-16)14-10-21-19(20)22-11-14/h10-12H,2-9,13H2,1H3,(H2,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.26E+3	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 recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus expression system by AlexaFluor647-...				Bioorg Med Chem Lett 27: 4794-4799 (2017) Article DOI: 10.1016/j.bmcl.2017.09.059 BindingDB Entry DOI: 10.7270/Q2F76G4X
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50451425 (CHEMBL4212439) Show SMILES CS(=O)(=O)N1CCN(Cc2cc3c(nc(cn3n2)-c2cnc(N)nc2)N2CCOCC2)CC1 Show InChI InChI=1S/C20H27N9O3S/c1-33(30,31)28-4-2-26(3-5-28)13-16-10-18-19(27-6-8-32-9-7-27)24-17(14-29(18)25-16)15-11-22-20(21)23-12-15/h10-12,14H,2-9,13H2,1H3,(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.70E+3	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 recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus expression system by AlexaFluor647-...				Bioorg Med Chem Lett 27: 4794-4799 (2017) Article DOI: 10.1016/j.bmcl.2017.09.059 BindingDB Entry DOI: 10.7270/Q2F76G4X
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50451426 (CHEMBL4208064) Show SMILES CS(=O)(=O)N1CCN(Cc2cn3nc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 Show InChI InChI=1S/C19H26N10O3S/c1-33(30,31)28-4-2-26(3-5-28)12-15-13-29-18(23-15)17(27-6-8-32-9-7-27)24-16(25-29)14-10-21-19(20)22-11-14/h10-11,13H,2-9,12H2,1H3,(H2,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.84E+3	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 recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus expression system by AlexaFluor647-...				Bioorg Med Chem Lett 27: 4794-4799 (2017) Article DOI: 10.1016/j.bmcl.2017.09.059 BindingDB Entry DOI: 10.7270/Q2F76G4X
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (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	4.88E+3	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 recombinant human GST-tagged mTOR catalytic domain (1360 to 2549 residues) expressed in baculovirus expression system by AlexaFluor647-...				Bioorg Med Chem Lett 27: 4794-4799 (2017) Article DOI: 10.1016/j.bmcl.2017.09.059 BindingDB Entry DOI: 10.7270/Q2F76G4X
					More data for this Ligand-Target Pair

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