Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50049057   

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))	BDBM50233667 (CHEMBL4088969) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(CC4CC4)C3)c(=O)c2c1 |r| Show InChI InChI=1S/C28H28FN5O4S/c1-38-27-26(32-39(36,37)23-7-5-21(29)6-8-23)13-20(14-30-27)19-4-9-25-24(12-19)28(35)34(17-31-25)22-10-11-33(16-22)15-18-2-3-18/h4-9,12-14,17-18,22,32H,2-3,10-11,15-16H2,1H3/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of P110alpha/p85alpha (unknown origin) using L-alpha-phosphatidylinositol as substrate after 40 mins by ATP depletion assay				Bioorg Med Chem 23: 7765-76 (2015) Article DOI: 10.1016/j.bmc.2015.11.027 BindingDB Entry DOI: 10.7270/Q2222X19
					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))	BDBM50233666 (CHEMBL4097625) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(C3)C(=O)C3CC3)c(=O)c2c1 |r| Show InChI InChI=1S/C28H26FN5O5S/c1-39-26-25(32-40(37,38)22-7-5-20(29)6-8-22)13-19(14-30-26)18-4-9-24-23(12-18)28(36)34(16-31-24)21-10-11-33(15-21)27(35)17-2-3-17/h4-9,12-14,16-17,21,32H,2-3,10-11,15H2,1H3/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of P110alpha/p85alpha (unknown origin) using L-alpha-phosphatidylinositol as substrate after 40 mins by ATP depletion assay				Bioorg Med Chem 23: 7765-76 (2015) Article DOI: 10.1016/j.bmc.2015.11.027 BindingDB Entry DOI: 10.7270/Q2222X19
					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))	BDBM50233667 (CHEMBL4088969) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(CC4CC4)C3)c(=O)c2c1 |r| Show InChI InChI=1S/C28H28FN5O4S/c1-38-27-26(32-39(36,37)23-7-5-21(29)6-8-23)13-20(14-30-27)19-4-9-25-24(12-19)28(35)34(17-31-25)22-10-11-33(16-22)15-18-2-3-18/h4-9,12-14,17-18,22,32H,2-3,10-11,15-16H2,1H3/t22-/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	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of P110delta/p85alpha (unknown origin) using L-alpha-phosphatidylinositol as substrate after 40 mins by ATP depletion assay				Bioorg Med Chem 23: 7765-76 (2015) Article DOI: 10.1016/j.bmc.2015.11.027 BindingDB Entry DOI: 10.7270/Q2222X19
					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))	BDBM50233667 (CHEMBL4088969) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(CC4CC4)C3)c(=O)c2c1 |r| Show InChI InChI=1S/C28H28FN5O4S/c1-38-27-26(32-39(36,37)23-7-5-21(29)6-8-23)13-20(14-30-27)19-4-9-25-24(12-19)28(35)34(17-31-25)22-10-11-33(16-22)15-18-2-3-18/h4-9,12-14,17-18,22,32H,2-3,10-11,15-16H2,1H3/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of P110beta/p85alpha (unknown origin) using L-alpha-phosphatidylinositol as substrate after 40 mins by ATP depletion assay				Bioorg Med Chem 23: 7765-76 (2015) Article DOI: 10.1016/j.bmc.2015.11.027 BindingDB Entry DOI: 10.7270/Q2222X19
					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))	BDBM92862 (US9284315, BEZ-235 | mTOR Inhibitor, BEZ235) Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of P110alpha/p85alpha (unknown origin) using L-alpha-phosphatidylinositol as substrate after 40 mins by ATP depletion assay				Bioorg Med Chem 23: 7765-76 (2015) Article DOI: 10.1016/j.bmc.2015.11.027 BindingDB Entry DOI: 10.7270/Q2222X19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM92862 (US9284315, BEZ-235 | mTOR Inhibitor, BEZ235) Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of mTOR (unknown origin) using L-alpha-phosphatidylinositol as substrate after 40 mins by ATP depletion assay				Bioorg Med Chem 23: 7765-76 (2015) Article DOI: 10.1016/j.bmc.2015.11.027 BindingDB Entry DOI: 10.7270/Q2222X19
					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))	BDBM50233666 (CHEMBL4097625) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(C3)C(=O)C3CC3)c(=O)c2c1 |r| Show InChI InChI=1S/C28H26FN5O5S/c1-39-26-25(32-40(37,38)22-7-5-20(29)6-8-22)13-19(14-30-26)18-4-9-24-23(12-18)28(36)34(16-31-24)21-10-11-33(15-21)27(35)17-2-3-17/h4-9,12-14,16-17,21,32H,2-3,10-11,15H2,1H3/t21-/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	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of P110delta/p85alpha (unknown origin) using L-alpha-phosphatidylinositol as substrate after 40 mins by ATP depletion assay				Bioorg Med Chem 23: 7765-76 (2015) Article DOI: 10.1016/j.bmc.2015.11.027 BindingDB Entry DOI: 10.7270/Q2222X19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50233667 (CHEMBL4088969) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(CC4CC4)C3)c(=O)c2c1 |r| Show InChI InChI=1S/C28H28FN5O4S/c1-38-27-26(32-39(36,37)23-7-5-21(29)6-8-23)13-20(14-30-27)19-4-9-25-24(12-19)28(35)34(17-31-25)22-10-11-33(16-22)15-18-2-3-18/h4-9,12-14,17-18,22,32H,2-3,10-11,15-16H2,1H3/t22-/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	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of mTOR (unknown origin) using L-alpha-phosphatidylinositol as substrate after 40 mins by ATP depletion assay				Bioorg Med Chem 23: 7765-76 (2015) Article DOI: 10.1016/j.bmc.2015.11.027 BindingDB Entry DOI: 10.7270/Q2222X19
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform/Phosphoinositide 3-kinase regulatory subunit 5 (Homo sapiens (Human))	BDBM50233666 (CHEMBL4097625) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(C3)C(=O)C3CC3)c(=O)c2c1 |r| Show InChI InChI=1S/C28H26FN5O5S/c1-39-26-25(32-40(37,38)22-7-5-20(29)6-8-22)13-19(14-30-26)18-4-9-24-23(12-18)28(36)34(16-31-24)21-10-11-33(15-21)27(35)17-2-3-17/h4-9,12-14,16-17,21,32H,2-3,10-11,15H2,1H3/t21-/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	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of P110gamma/PIK3R5 (unknown origin) using L-alpha-phosphatidylinositol as substrate after 40 mins by ATP depletion assay				Bioorg Med Chem 23: 7765-76 (2015) Article DOI: 10.1016/j.bmc.2015.11.027 BindingDB Entry DOI: 10.7270/Q2222X19
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform/Phosphoinositide 3-kinase regulatory subunit 5 (Homo sapiens (Human))	BDBM92862 (US9284315, BEZ-235 | mTOR Inhibitor, BEZ235) Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	169	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of P110gamma/PIK3R5 (unknown origin) using L-alpha-phosphatidylinositol as substrate after 40 mins by ATP depletion assay				Bioorg Med Chem 23: 7765-76 (2015) Article DOI: 10.1016/j.bmc.2015.11.027 BindingDB Entry DOI: 10.7270/Q2222X19
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform/Phosphoinositide 3-kinase regulatory subunit 5 (Homo sapiens (Human))	BDBM50233667 (CHEMBL4088969) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(CC4CC4)C3)c(=O)c2c1 |r| Show InChI InChI=1S/C28H28FN5O4S/c1-38-27-26(32-39(36,37)23-7-5-21(29)6-8-23)13-20(14-30-27)19-4-9-25-24(12-19)28(35)34(17-31-25)22-10-11-33(16-22)15-18-2-3-18/h4-9,12-14,17-18,22,32H,2-3,10-11,15-16H2,1H3/t22-/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	n/a	n/a	181	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of P110gamma/PIK3R5 (unknown origin) using L-alpha-phosphatidylinositol as substrate after 40 mins by ATP depletion assay				Bioorg Med Chem 23: 7765-76 (2015) Article DOI: 10.1016/j.bmc.2015.11.027 BindingDB Entry DOI: 10.7270/Q2222X19
					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))	BDBM92862 (US9284315, BEZ-235 | mTOR Inhibitor, BEZ235) Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	204	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of P110delta/p85alpha (unknown origin) using L-alpha-phosphatidylinositol as substrate after 40 mins by ATP depletion assay				Bioorg Med Chem 23: 7765-76 (2015) Article DOI: 10.1016/j.bmc.2015.11.027 BindingDB Entry DOI: 10.7270/Q2222X19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50233666 (CHEMBL4097625) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(C3)C(=O)C3CC3)c(=O)c2c1 |r| Show InChI InChI=1S/C28H26FN5O5S/c1-39-26-25(32-40(37,38)22-7-5-20(29)6-8-22)13-19(14-30-26)18-4-9-24-23(12-18)28(36)34(16-31-24)21-10-11-33(15-21)27(35)17-2-3-17/h4-9,12-14,16-17,21,32H,2-3,10-11,15H2,1H3/t21-/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	n/a	n/a	208	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of mTOR (unknown origin) using L-alpha-phosphatidylinositol as substrate after 40 mins by ATP depletion assay				Bioorg Med Chem 23: 7765-76 (2015) Article DOI: 10.1016/j.bmc.2015.11.027 BindingDB Entry DOI: 10.7270/Q2222X19
					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))	BDBM50233666 (CHEMBL4097625) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(C3)C(=O)C3CC3)c(=O)c2c1 |r| Show InChI InChI=1S/C28H26FN5O5S/c1-39-26-25(32-40(37,38)22-7-5-20(29)6-8-22)13-19(14-30-26)18-4-9-24-23(12-18)28(36)34(16-31-24)21-10-11-33(15-21)27(35)17-2-3-17/h4-9,12-14,16-17,21,32H,2-3,10-11,15H2,1H3/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	209	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of P110beta/p85alpha (unknown origin) using L-alpha-phosphatidylinositol as substrate after 40 mins by ATP depletion assay				Bioorg Med Chem 23: 7765-76 (2015) Article DOI: 10.1016/j.bmc.2015.11.027 BindingDB Entry DOI: 10.7270/Q2222X19
					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))	BDBM92862 (US9284315, BEZ-235 | mTOR Inhibitor, BEZ235) Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	421	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of P110beta/p85alpha (unknown origin) using L-alpha-phosphatidylinositol as substrate after 40 mins by ATP depletion assay				Bioorg Med Chem 23: 7765-76 (2015) Article DOI: 10.1016/j.bmc.2015.11.027 BindingDB Entry DOI: 10.7270/Q2222X19
					More data for this Ligand-Target Pair