Compile Data Set for Download or QSAR

Found 109 hits Enz. Inhib. hit(s) with all data for entry = 50000131   

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))	BDBM50240973 (CHEMBL4102855) Show SMILES Nc1ncc(-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)c(n1)C(F)(F)F Show InChI InChI=1S/C16H19F3N8O2/c17-16(18,19)11-10(9-21-13(20)22-11)12-23-14(26-1-5-28-6-2-26)25-15(24-12)27-3-7-29-8-4-27/h9H,1-8H2,(H2,20,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					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))	BDBM50240989 (CHEMBL4081904) Show SMILES CC(=O)Nc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C19H22F3N7O3/c1-12(30)24-15-10-14(19(20,21)22)13(11-23-15)16-25-17(28-2-6-31-7-3-28)27-18(26-16)29-4-8-32-9-5-29/h10-11H,2-9H2,1H3,(H,23,24,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					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))	BDBM50240991 (CHEMBL4092165) Show SMILES Cc1nc(N)ncc1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C16H22N8O2/c1-11-12(10-18-14(17)19-11)13-20-15(23-2-6-25-7-3-23)22-16(21-13)24-4-8-26-9-5-24/h10H,2-9H2,1H3,(H2,17,18,19)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					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))	BDBM50240975 (CHEMBL4084907) Show SMILES Nc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					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))	BDBM50240992 (CHEMBL4097282) Show SMILES Nc1ncc(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C15H20N8O2/c16-13-17-9-11(10-18-13)12-19-14(22-1-5-24-6-2-22)21-15(20-12)23-3-7-25-8-4-23/h9-10H,1-8H2,(H2,16,17,18)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					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))	BDBM50240977 (CHEMBL4071150) Show SMILES Cc1cc(N)ncc1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C17H23N7O2/c1-12-10-14(18)19-11-13(12)15-20-16(23-2-6-25-7-3-23)22-17(21-15)24-4-8-26-9-5-24/h10-11H,2-9H2,1H3,(H2,18,19)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50240975 (CHEMBL4084907) Show SMILES Nc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50240992 (CHEMBL4097282) Show SMILES Nc1ncc(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C15H20N8O2/c16-13-17-9-11(10-18-13)12-19-14(22-1-5-24-6-2-22)21-15(20-12)23-3-7-25-8-4-23/h9-10H,1-8H2,(H2,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	106	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50240984 (CHEMBL4068426) Show SMILES Nc1ccc(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C16H21N7O2/c17-13-2-1-12(11-18-13)14-19-15(22-3-7-24-8-4-22)21-16(20-14)23-5-9-25-10-6-23/h1-2,11H,3-10H2,(H2,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					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))	BDBM50240984 (CHEMBL4068426) Show SMILES Nc1ccc(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C16H21N7O2/c17-13-2-1-12(11-18-13)14-19-15(22-3-7-24-8-4-22)21-16(20-14)23-5-9-25-10-6-23/h1-2,11H,3-10H2,(H2,17,18)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	123	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50240983 (CHEMBL4079258) Show SMILES Nc1cnc(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C15H20N8O2/c16-12-10-17-11(9-18-12)13-19-14(22-1-5-24-6-2-22)21-15(20-13)23-3-7-25-8-4-23/h9-10H,1-8H2,(H2,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	185	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50240973 (CHEMBL4102855) Show SMILES Nc1ncc(-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)c(n1)C(F)(F)F Show InChI InChI=1S/C16H19F3N8O2/c17-16(18,19)11-10(9-21-13(20)22-11)12-23-14(26-1-5-28-6-2-26)25-15(24-12)27-3-7-29-8-4-27/h9H,1-8H2,(H2,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	203	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50240991 (CHEMBL4092165) Show SMILES Cc1nc(N)ncc1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C16H22N8O2/c1-11-12(10-18-14(17)19-11)13-20-15(23-2-6-25-7-3-23)22-16(21-13)24-4-8-26-9-5-24/h10H,2-9H2,1H3,(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	224	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50240976 (CHEMBL4098203) Show SMILES Cc1cc(cnc1N)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C17H23N7O2/c1-12-10-13(11-19-14(12)18)15-20-16(23-2-6-25-7-3-23)22-17(21-15)24-4-8-26-9-5-24/h10-11H,2-9H2,1H3,(H2,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	241	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50240995 (CHEMBL4071370) Show SMILES Nc1ncc(cc1C(F)(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-11(10-22-13(12)21)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	284	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50240985 (CHEMBL4089567) Show SMILES Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C17H22N6O2/c18-14-3-1-13(2-4-14)15-19-16(22-5-9-24-10-6-22)21-17(20-15)23-7-11-25-12-8-23/h1-4H,5-12,18H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	396	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50240977 (CHEMBL4071150) Show SMILES Cc1cc(N)ncc1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C17H23N7O2/c1-12-10-14(18)19-11-13(12)15-20-16(23-2-6-25-7-3-23)22-17(21-15)24-4-8-26-9-5-24/h10-11H,2-9H2,1H3,(H2,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	609	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					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))	BDBM50240993 (CHEMBL4074098) Show SMILES CONc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C18H22F3N7O3/c1-29-26-14-10-13(18(19,20)21)12(11-22-14)15-23-16(27-2-6-30-7-3-27)25-17(24-15)28-4-8-31-9-5-28/h10-11H,2-9H2,1H3,(H,22,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	689	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					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))	BDBM50240983 (CHEMBL4079258) Show SMILES Nc1cnc(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C15H20N8O2/c16-12-10-17-11(9-18-12)13-19-14(22-1-5-24-6-2-22)21-15(20-13)23-3-7-25-8-4-23/h9-10H,1-8H2,(H2,16,18)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	911	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					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))	BDBM50240976 (CHEMBL4098203) Show SMILES Cc1cc(cnc1N)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C17H23N7O2/c1-12-10-13(11-19-14(12)18)15-20-16(23-2-6-25-7-3-23)22-17(21-15)24-4-8-26-9-5-24/h10-11H,2-9H2,1H3,(H2,18,19)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50240989 (CHEMBL4081904) Show SMILES CC(=O)Nc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C19H22F3N7O3/c1-12(30)24-15-10-14(19(20,21)22)13(11-23-15)16-25-17(28-2-6-31-7-3-28)27-18(26-16)29-4-8-32-9-5-29/h10-11H,2-9H2,1H3,(H,23,24,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					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))	BDBM50240985 (CHEMBL4089567) Show SMILES Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C17H22N6O2/c18-14-3-1-13(2-4-14)15-19-16(22-5-9-24-10-6-22)21-17(20-15)23-7-11-25-12-8-23/h1-4H,5-12,18H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					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))	BDBM50240994 (CHEMBL4099904) Show SMILES Oc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C17H19F3N6O3/c18-17(19,20)12-9-13(27)21-10-11(12)14-22-15(25-1-5-28-6-2-25)24-16(23-14)26-3-7-29-8-4-26/h9-10H,1-8H2,(H,21,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50240993 (CHEMBL4074098) Show SMILES CONc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C18H22F3N7O3/c1-29-26-14-10-13(18(19,20)21)12(11-22-14)15-23-16(27-2-6-30-7-3-27)25-17(24-15)28-4-8-31-9-5-28/h10-11H,2-9H2,1H3,(H,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					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))	BDBM50240988 (CHEMBL4100862) Show SMILES FC(F)(F)c1cc(Cl)ncc1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C17H18ClF3N6O2/c18-13-9-12(17(19,20)21)11(10-22-13)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.28E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50240988 (CHEMBL4100862) Show SMILES FC(F)(F)c1cc(Cl)ncc1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C17H18ClF3N6O2/c18-13-9-12(17(19,20)21)11(10-22-13)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of human C-terminal GST-tagged mTOR (1360 to 2549 residues) expressed in baculovirus expression system using after 1 hr AlexaFluor647-labe...				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50240987 (CHEMBL4062723) Show SMILES FC(F)(F)c1cc(Br)ncc1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C17H18BrF3N6O2/c18-13-9-12(17(19,20)21)11(10-22-13)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptor				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					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))	BDBM50240995 (CHEMBL4071370) Show SMILES Nc1ncc(cc1C(F)(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-11(10-22-13(12)21)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged PI3K p110alpha/p85alpha expressed in baculovirus expression system after 1 hr using AlexaFluor647-labeled ...				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50240975 (CHEMBL4084907) Show SMILES Nc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin)				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50380363 (CHEMBL2017974 | US10173995, Compound 1) Show SMILES Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptor				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50240975 (CHEMBL4084907) Show SMILES Nc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptor				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50380363 (CHEMBL2017974 | US10173995, Compound 1) Show SMILES Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of mTOR (unknown origin)				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50380363 (CHEMBL2017974 | US10173995, Compound 1) Show SMILES Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin)				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50240975 (CHEMBL4084907) Show SMILES Nc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	205	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of mTOR in human A2058 cells assessed as reduction in phosphorylation of S6 at ser235/236 residues after 1 hr by in-cell Western method				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50240973 (CHEMBL4102855) Show SMILES Nc1ncc(-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)c(n1)C(F)(F)F Show InChI InChI=1S/C16H19F3N8O2/c17-16(18,19)11-10(9-21-13(20)22-11)12-23-14(26-1-5-28-6-2-26)25-15(24-12)27-3-7-29-8-4-27/h9H,1-8H2,(H2,20,21,22)	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	312	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of mTOR in human A2058 cells assessed as reduction in phosphorylation of S6 at ser235/236 residues after 1 hr by in-cell Western method				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50240984 (CHEMBL4068426) Show SMILES Nc1ccc(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C16H21N7O2/c17-13-2-1-12(11-18-13)14-19-15(22-3-7-24-8-4-22)21-16(20-14)23-5-9-25-10-6-23/h1-2,11H,3-10H2,(H2,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	415	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of mTOR in human A2058 cells assessed as reduction in phosphorylation of S6 at ser235/236 residues after 1 hr by in-cell Western method				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50240992 (CHEMBL4097282) Show SMILES Nc1ncc(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C15H20N8O2/c16-13-17-9-11(10-18-13)12-19-14(22-1-5-24-6-2-22)21-15(20-12)23-3-7-25-8-4-23/h9-10H,1-8H2,(H2,16,17,18)	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	415	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of mTOR in human A2058 cells assessed as reduction in phosphorylation of S6 at ser235/236 residues after 1 hr by in-cell Western method				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50240975 (CHEMBL4084907) Show SMILES Nc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	451	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptor				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50380363 (CHEMBL2017974 | US10173995, Compound 1) Show SMILES Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	607	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptor				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50240975 (CHEMBL4084907) Show SMILES Nc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	661	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptor				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50240975 (CHEMBL4084907) Show SMILES Nc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	708	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin)				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50240989 (CHEMBL4081904) Show SMILES CC(=O)Nc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C19H22F3N7O3/c1-12(30)24-15-10-14(19(20,21)22)13(11-23-15)16-25-17(28-2-6-31-7-3-28)27-18(26-16)29-4-8-32-9-5-29/h10-11H,2-9H2,1H3,(H,23,24,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	729	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of mTOR in human A2058 cells assessed as reduction in phosphorylation of S6 at ser235/236 residues after 1 hr by in-cell Western method				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50380363 (CHEMBL2017974 | US10173995, Compound 1) Show SMILES Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	778	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptor				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50240983 (CHEMBL4079258) Show SMILES Nc1cnc(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C15H20N8O2/c16-12-10-17-11(9-18-12)13-19-14(22-1-5-24-6-2-22)21-15(20-13)23-3-7-25-8-4-23/h9-10H,1-8H2,(H2,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	817	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of mTOR in human A2058 cells assessed as reduction in phosphorylation of S6 at ser235/236 residues after 1 hr by in-cell Western method				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50240991 (CHEMBL4092165) Show SMILES Cc1nc(N)ncc1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C16H22N8O2/c1-11-12(10-18-14(17)19-11)13-20-15(23-2-6-25-7-3-23)22-16(21-13)24-4-8-26-9-5-24/h10H,2-9H2,1H3,(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	831	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of mTOR in human A2058 cells assessed as reduction in phosphorylation of S6 at ser235/236 residues after 1 hr by in-cell Western method				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50240977 (CHEMBL4071150) Show SMILES Cc1cc(N)ncc1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C17H23N7O2/c1-12-10-14(18)19-11-13(12)15-20-16(23-2-6-25-7-3-23)22-17(21-15)24-4-8-26-9-5-24/h10-11H,2-9H2,1H3,(H2,18,19)	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	939	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of mTOR in human A2058 cells assessed as reduction in phosphorylation of S6 at ser235/236 residues after 1 hr by in-cell Western method				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50240976 (CHEMBL4098203) Show SMILES Cc1cc(cnc1N)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C17H23N7O2/c1-12-10-13(11-19-14(12)18)15-20-16(23-2-6-25-7-3-23)22-17(21-15)24-4-8-26-9-5-24/h10-11H,2-9H2,1H3,(H2,18,19)	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	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of mTOR in human A2058 cells assessed as reduction in phosphorylation of S6 at ser235/236 residues after 1 hr by in-cell Western method				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50240985 (CHEMBL4089567) Show SMILES Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C17H22N6O2/c18-14-3-1-13(2-4-14)15-19-16(22-5-9-24-10-6-22)21-17(20-15)23-7-11-25-12-8-23/h1-4H,5-12,18H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of mTOR in human A2058 cells assessed as reduction in phosphorylation of S6 at ser235/236 residues after 1 hr by in-cell Western method				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50240995 (CHEMBL4071370) Show SMILES Nc1ncc(cc1C(F)(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-11(10-22-13(12)21)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22)	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	1.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of mTOR in human A2058 cells assessed as reduction in phosphorylation of S6 at ser235/236 residues after 1 hr by in-cell Western method				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50380363 (CHEMBL2017974 | US10173995, Compound 1) Show SMILES Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of VPS34 (unknown origin)				J Med Chem 60: 7524-7538 (2017) Article DOI: 10.1021/acs.jmedchem.7b00930 BindingDB Entry DOI: 10.7270/Q2WM1GKP
					More data for this Ligand-Target Pair

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