Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50047043   

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
Serine/threonine-protein kinase mTOR (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	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of mTOR kinase (unknown origin) assessed as suppression of ULight-4E-BP1 substrate phosphorylation incubated for 1 hr by lance ultra assay				Bioorg Med Chem 24: 957-66 (2016) Article DOI: 10.1016/j.bmc.2016.01.008 BindingDB Entry DOI: 10.7270/Q2DF6T2X
					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	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of PI3K-gamma (unknown origin) after 40 mins by ADP-Glo luminescent kinase assay				Bioorg Med Chem 24: 957-66 (2016) Article DOI: 10.1016/j.bmc.2016.01.008 BindingDB Entry DOI: 10.7270/Q2DF6T2X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of PI3K-alpha (unknown origin) using PIP2 as substrate incubated for 1 hr by Kinase-Glo luminescent kinase assay				Bioorg Med Chem 24: 957-66 (2016) Article DOI: 10.1016/j.bmc.2016.01.008 BindingDB Entry DOI: 10.7270/Q2DF6T2X
					More data for this Ligand-Target Pair
Phosphatidylinositol 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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of PI3K-beta (unknown origin) after 40 mins by ADP-Glo luminescent kinase assay				Bioorg Med Chem 24: 957-66 (2016) Article DOI: 10.1016/j.bmc.2016.01.008 BindingDB Entry DOI: 10.7270/Q2DF6T2X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50145412 (CHEMBL3763244) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(C#CCN3CCN(CC3)S(C)(=O)=O)c2c1 Show InChI InChI=1S/C29H27F2N5O5S2/c1-41-29-27(34-43(39,40)28-8-6-23(30)18-25(28)31)17-22(19-33-29)21-5-7-26-24(16-21)20(9-10-32-26)4-3-11-35-12-14-36(15-13-35)42(2,37)38/h5-10,16-19,34H,11-15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of PI3K-alpha (unknown origin) using PIP2 as substrate incubated for 1 hr by Kinase-Glo luminescent kinase assay				Bioorg Med Chem 24: 957-66 (2016) Article DOI: 10.1016/j.bmc.2016.01.008 BindingDB Entry DOI: 10.7270/Q2DF6T2X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50145417 (CHEMBL3764625) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(C#CCN3CCOCC3)c2c1 Show InChI InChI=1S/C28H24F2N4O4S/c1-37-28-26(33-39(35,36)27-7-5-22(29)17-24(27)30)16-21(18-32-28)20-4-6-25-23(15-20)19(8-9-31-25)3-2-10-34-11-13-38-14-12-34/h4-9,15-18,33H,10-14H2,1H3	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	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of PI3K-alpha (unknown origin) using PIP2 as substrate incubated for 1 hr by Kinase-Glo luminescent kinase assay				Bioorg Med Chem 24: 957-66 (2016) Article DOI: 10.1016/j.bmc.2016.01.008 BindingDB Entry DOI: 10.7270/Q2DF6T2X
					More data for this Ligand-Target Pair
Phosphatidylinositol 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 GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of PI3K-delta (unknown origin) using PIP2 as substrate incubated for 1 hr by Kinase-Glo luminescent kinase assay				Bioorg Med Chem 24: 957-66 (2016) Article DOI: 10.1016/j.bmc.2016.01.008 BindingDB Entry DOI: 10.7270/Q2DF6T2X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50145412 (CHEMBL3763244) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(C#CCN3CCN(CC3)S(C)(=O)=O)c2c1 Show InChI InChI=1S/C29H27F2N5O5S2/c1-41-29-27(34-43(39,40)28-8-6-23(30)18-25(28)31)17-22(19-33-29)21-5-7-26-24(16-21)20(9-10-32-26)4-3-11-35-12-14-36(15-13-35)42(2,37)38/h5-10,16-19,34H,11-15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of PI3K-gamma (unknown origin) after 40 mins by ADP-Glo luminescent kinase assay				Bioorg Med Chem 24: 957-66 (2016) Article DOI: 10.1016/j.bmc.2016.01.008 BindingDB Entry DOI: 10.7270/Q2DF6T2X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50145426 (CHEMBL3763397) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(C#CCN(C)C)c2c1 Show InChI InChI=1S/C26H22F2N4O3S/c1-32(2)12-4-5-17-10-11-29-23-8-6-18(13-21(17)23)19-14-24(26(35-3)30-16-19)31-36(33,34)25-9-7-20(27)15-22(25)28/h6-11,13-16,31H,12H2,1-3H3	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	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of PI3K-alpha (unknown origin) using PIP2 as substrate incubated for 1 hr by Kinase-Glo luminescent kinase assay				Bioorg Med Chem 24: 957-66 (2016) Article DOI: 10.1016/j.bmc.2016.01.008 BindingDB Entry DOI: 10.7270/Q2DF6T2X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50145422 (CHEMBL3764095) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(C#CCN(C)CCO)c2c1 Show InChI InChI=1S/C27H24F2N4O4S/c1-33(12-13-34)11-3-4-18-9-10-30-24-7-5-19(14-22(18)24)20-15-25(27(37-2)31-17-20)32-38(35,36)26-8-6-21(28)16-23(26)29/h5-10,14-17,32,34H,11-13H2,1-2H3	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	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of PI3K-alpha (unknown origin) using PIP2 as substrate incubated for 1 hr by Kinase-Glo luminescent kinase assay				Bioorg Med Chem 24: 957-66 (2016) Article DOI: 10.1016/j.bmc.2016.01.008 BindingDB Entry DOI: 10.7270/Q2DF6T2X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50145414 (CHEMBL3765587) Show SMILES CCOC(=O)N1CCN(CC#Cc2ccnc3ccc(cc23)-c2cnc(OC)c(NS(=O)(=O)c3ccc(F)cc3F)c2)CC1 Show InChI InChI=1S/C31H29F2N5O5S/c1-3-43-31(39)38-15-13-37(14-16-38)12-4-5-21-10-11-34-27-8-6-22(17-25(21)27)23-18-28(30(42-2)35-20-23)36-44(40,41)29-9-7-24(32)19-26(29)33/h6-11,17-20,36H,3,12-16H2,1-2H3	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	4	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of PI3K-gamma (unknown origin) after 40 mins by ADP-Glo luminescent kinase assay				Bioorg Med Chem 24: 957-66 (2016) Article DOI: 10.1016/j.bmc.2016.01.008 BindingDB Entry DOI: 10.7270/Q2DF6T2X
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM25045 (3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...) Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2	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 Patents Similars	PDB Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of mTOR kinase (unknown origin) assessed as suppression of ULight-4E-BP1 substrate phosphorylation incubated for 1 hr by lance ultra assay				Bioorg Med Chem 24: 957-66 (2016) Article DOI: 10.1016/j.bmc.2016.01.008 BindingDB Entry DOI: 10.7270/Q2DF6T2X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50145412 (CHEMBL3763244) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(C#CCN3CCN(CC3)S(C)(=O)=O)c2c1 Show InChI InChI=1S/C29H27F2N5O5S2/c1-41-29-27(34-43(39,40)28-8-6-23(30)18-25(28)31)17-22(19-33-29)21-5-7-26-24(16-21)20(9-10-32-26)4-3-11-35-12-14-36(15-13-35)42(2,37)38/h5-10,16-19,34H,11-15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of mTOR kinase (unknown origin) assessed as suppression of ULight-4E-BP1 substrate phosphorylation incubated for 1 hr by lance ultra assay				Bioorg Med Chem 24: 957-66 (2016) Article DOI: 10.1016/j.bmc.2016.01.008 BindingDB Entry DOI: 10.7270/Q2DF6T2X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50145414 (CHEMBL3765587) Show SMILES CCOC(=O)N1CCN(CC#Cc2ccnc3ccc(cc23)-c2cnc(OC)c(NS(=O)(=O)c3ccc(F)cc3F)c2)CC1 Show InChI InChI=1S/C31H29F2N5O5S/c1-3-43-31(39)38-15-13-37(14-16-38)12-4-5-21-10-11-34-27-8-6-22(17-25(21)27)23-18-28(30(42-2)35-20-23)36-44(40,41)29-9-7-24(32)19-26(29)33/h6-11,17-20,36H,3,12-16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of PI3K-alpha (unknown origin) using PIP2 as substrate incubated for 1 hr by Kinase-Glo luminescent kinase assay				Bioorg Med Chem 24: 957-66 (2016) Article DOI: 10.1016/j.bmc.2016.01.008 BindingDB Entry DOI: 10.7270/Q2DF6T2X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM25045 (3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...) Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2	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 Patents Similars	PDB Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of PI3K-alpha (unknown origin) using PIP2 as substrate incubated for 1 hr by Kinase-Glo luminescent kinase assay				Bioorg Med Chem 24: 957-66 (2016) Article DOI: 10.1016/j.bmc.2016.01.008 BindingDB Entry DOI: 10.7270/Q2DF6T2X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50145412 (CHEMBL3763244) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(C#CCN3CCN(CC3)S(C)(=O)=O)c2c1 Show InChI InChI=1S/C29H27F2N5O5S2/c1-41-29-27(34-43(39,40)28-8-6-23(30)18-25(28)31)17-22(19-33-29)21-5-7-26-24(16-21)20(9-10-32-26)4-3-11-35-12-14-36(15-13-35)42(2,37)38/h5-10,16-19,34H,11-15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of PI3K-beta (unknown origin) after 40 mins by ADP-Glo luminescent kinase assay				Bioorg Med Chem 24: 957-66 (2016) Article DOI: 10.1016/j.bmc.2016.01.008 BindingDB Entry DOI: 10.7270/Q2DF6T2X
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50145414 (CHEMBL3765587) Show SMILES CCOC(=O)N1CCN(CC#Cc2ccnc3ccc(cc23)-c2cnc(OC)c(NS(=O)(=O)c3ccc(F)cc3F)c2)CC1 Show InChI InChI=1S/C31H29F2N5O5S/c1-3-43-31(39)38-15-13-37(14-16-38)12-4-5-21-10-11-34-27-8-6-22(17-25(21)27)23-18-28(30(42-2)35-20-23)36-44(40,41)29-9-7-24(32)19-26(29)33/h6-11,17-20,36H,3,12-16H2,1-2H3	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	9.90	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of mTOR kinase (unknown origin) assessed as suppression of ULight-4E-BP1 substrate phosphorylation incubated for 1 hr by lance ultra assay				Bioorg Med Chem 24: 957-66 (2016) Article DOI: 10.1016/j.bmc.2016.01.008 BindingDB Entry DOI: 10.7270/Q2DF6T2X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM25045 (3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...) Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2	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 Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of PI3K-beta (unknown origin) after 40 mins by ADP-Glo luminescent kinase assay				Bioorg Med Chem 24: 957-66 (2016) Article DOI: 10.1016/j.bmc.2016.01.008 BindingDB Entry DOI: 10.7270/Q2DF6T2X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM25045 (3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...) Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2	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 Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of PI3K-delta (unknown origin) using PIP2 as substrate incubated for 1 hr by Kinase-Glo luminescent kinase assay				Bioorg Med Chem 24: 957-66 (2016) Article DOI: 10.1016/j.bmc.2016.01.008 BindingDB Entry DOI: 10.7270/Q2DF6T2X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50145412 (CHEMBL3763244) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(C#CCN3CCN(CC3)S(C)(=O)=O)c2c1 Show InChI InChI=1S/C29H27F2N5O5S2/c1-41-29-27(34-43(39,40)28-8-6-23(30)18-25(28)31)17-22(19-33-29)21-5-7-26-24(16-21)20(9-10-32-26)4-3-11-35-12-14-36(15-13-35)42(2,37)38/h5-10,16-19,34H,11-15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of PI3K-delta (unknown origin) using PIP2 as substrate incubated for 1 hr by Kinase-Glo luminescent kinase assay				Bioorg Med Chem 24: 957-66 (2016) Article DOI: 10.1016/j.bmc.2016.01.008 BindingDB Entry DOI: 10.7270/Q2DF6T2X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50145414 (CHEMBL3765587) Show SMILES CCOC(=O)N1CCN(CC#Cc2ccnc3ccc(cc23)-c2cnc(OC)c(NS(=O)(=O)c3ccc(F)cc3F)c2)CC1 Show InChI InChI=1S/C31H29F2N5O5S/c1-3-43-31(39)38-15-13-37(14-16-38)12-4-5-21-10-11-34-27-8-6-22(17-25(21)27)23-18-28(30(42-2)35-20-23)36-44(40,41)29-9-7-24(32)19-26(29)33/h6-11,17-20,36H,3,12-16H2,1-2H3	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	19	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of PI3K-delta (unknown origin) using PIP2 as substrate incubated for 1 hr by Kinase-Glo luminescent kinase assay				Bioorg Med Chem 24: 957-66 (2016) Article DOI: 10.1016/j.bmc.2016.01.008 BindingDB Entry DOI: 10.7270/Q2DF6T2X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50145414 (CHEMBL3765587) Show SMILES CCOC(=O)N1CCN(CC#Cc2ccnc3ccc(cc23)-c2cnc(OC)c(NS(=O)(=O)c3ccc(F)cc3F)c2)CC1 Show InChI InChI=1S/C31H29F2N5O5S/c1-3-43-31(39)38-15-13-37(14-16-38)12-4-5-21-10-11-34-27-8-6-22(17-25(21)27)23-18-28(30(42-2)35-20-23)36-44(40,41)29-9-7-24(32)19-26(29)33/h6-11,17-20,36H,3,12-16H2,1-2H3	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	23	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of PI3K-beta (unknown origin) after 40 mins by ADP-Glo luminescent kinase assay				Bioorg Med Chem 24: 957-66 (2016) Article DOI: 10.1016/j.bmc.2016.01.008 BindingDB Entry DOI: 10.7270/Q2DF6T2X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50145427 (CHEMBL3763473) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2nccc(C#CCN(C)C)c2c1 Show InChI InChI=1S/C26H23FN4O3S/c1-31(2)14-4-5-18-12-13-28-24-11-6-19(15-23(18)24)20-16-25(26(34-3)29-17-20)30-35(32,33)22-9-7-21(27)8-10-22/h6-13,15-17,30H,14H2,1-3H3	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	32	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of PI3K-alpha (unknown origin) using PIP2 as substrate incubated for 1 hr by Kinase-Glo luminescent kinase assay				Bioorg Med Chem 24: 957-66 (2016) Article DOI: 10.1016/j.bmc.2016.01.008 BindingDB Entry DOI: 10.7270/Q2DF6T2X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50145424 (CHEMBL3765500) Show SMILES CCN(CC)CC#Cc1ccnc2ccc(cc12)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2F)c1 Show InChI InChI=1S/C28H26F2N4O3S/c1-4-34(5-2)14-6-7-19-12-13-31-25-10-8-20(15-23(19)25)21-16-26(28(37-3)32-18-21)33-38(35,36)27-11-9-22(29)17-24(27)30/h8-13,15-18,33H,4-5,14H2,1-3H3	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	33	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of PI3K-alpha (unknown origin) using PIP2 as substrate incubated for 1 hr by Kinase-Glo luminescent kinase assay				Bioorg Med Chem 24: 957-66 (2016) Article DOI: 10.1016/j.bmc.2016.01.008 BindingDB Entry DOI: 10.7270/Q2DF6T2X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50145420 (CHEMBL3764069) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(C#CCN3CCCCC3)c2c1 Show InChI InChI=1S/C29H26F2N4O3S/c1-38-29-27(34-39(36,37)28-10-8-23(30)18-25(28)31)17-22(19-33-29)21-7-9-26-24(16-21)20(11-12-32-26)6-5-15-35-13-3-2-4-14-35/h7-12,16-19,34H,2-4,13-15H2,1H3	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	37	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of PI3K-alpha (unknown origin) using PIP2 as substrate incubated for 1 hr by Kinase-Glo luminescent kinase assay				Bioorg Med Chem 24: 957-66 (2016) Article DOI: 10.1016/j.bmc.2016.01.008 BindingDB Entry DOI: 10.7270/Q2DF6T2X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50145418 (CHEMBL3765031) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(C#CCN3CCCCC3C)c2c1 Show InChI InChI=1S/C30H28F2N4O3S/c1-20-6-3-4-14-36(20)15-5-7-21-12-13-33-27-10-8-22(16-25(21)27)23-17-28(30(39-2)34-19-23)35-40(37,38)29-11-9-24(31)18-26(29)32/h8-13,16-20,35H,3-4,6,14-15H2,1-2H3	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	61	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of PI3K-alpha (unknown origin) using PIP2 as substrate incubated for 1 hr by Kinase-Glo luminescent kinase assay				Bioorg Med Chem 24: 957-66 (2016) Article DOI: 10.1016/j.bmc.2016.01.008 BindingDB Entry DOI: 10.7270/Q2DF6T2X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM25045 (3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...) Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1 Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2	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 Patents Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of PI3K-gamma (unknown origin) after 40 mins by ADP-Glo luminescent kinase assay				Bioorg Med Chem 24: 957-66 (2016) Article DOI: 10.1016/j.bmc.2016.01.008 BindingDB Entry DOI: 10.7270/Q2DF6T2X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50145419 (CHEMBL3765065) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(C#CCN3CCC(C)CC3)c2c1 Show InChI InChI=1S/C30H28F2N4O3S/c1-20-10-14-36(15-11-20)13-3-4-21-9-12-33-27-7-5-22(16-25(21)27)23-17-28(30(39-2)34-19-23)35-40(37,38)29-8-6-24(31)18-26(29)32/h5-9,12,16-20,35H,10-11,13-15H2,1-2H3	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	70	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of PI3K-alpha (unknown origin) using PIP2 as substrate incubated for 1 hr by Kinase-Glo luminescent kinase assay				Bioorg Med Chem 24: 957-66 (2016) Article DOI: 10.1016/j.bmc.2016.01.008 BindingDB Entry DOI: 10.7270/Q2DF6T2X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50145421 (CHEMBL3765013) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(C#CCN(C3CCCCC3)C3CCCCC3)c2c1 Show InChI InChI=1S/C36H38F2N4O3S/c1-45-36-34(41-46(43,44)35-17-15-28(37)23-32(35)38)22-27(24-40-36)26-14-16-33-31(21-26)25(18-19-39-33)9-8-20-42(29-10-4-2-5-11-29)30-12-6-3-7-13-30/h14-19,21-24,29-30,41H,2-7,10-13,20H2,1H3	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	>100	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of PI3K-alpha (unknown origin) using PIP2 as substrate incubated for 1 hr by Kinase-Glo luminescent kinase assay				Bioorg Med Chem 24: 957-66 (2016) Article DOI: 10.1016/j.bmc.2016.01.008 BindingDB Entry DOI: 10.7270/Q2DF6T2X
					More data for this Ligand-Target Pair