Compile Data Set for Download or QSAR

Found 430 hits with Last Name = 'jennings' and Initial = 'g'   

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
DNA-dependent protein kinase catalytic subunit (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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human DNA-PK by non-radiometric ADP-Glo assay				ACS Med Chem Lett 6: 3-6 (2015) Article DOI: 10.1021/ml500354e BindingDB Entry DOI: 10.7270/Q2M61MWR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50042923 (CHEMBL3354566) Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C2(CC2)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H21N5O/c1-34-27-17-33-26-11-6-19(21-14-20-4-2-3-5-25(20)32-16-21)15-24(26)28(27)35(29(34)36)23-9-7-22(8-10-23)30(18-31)12-13-30/h2-11,14-17H,12-13H2,1H3	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	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human mTOR by non-radiometric ADP-Glo assay				ACS Med Chem Lett 6: 3-6 (2015) Article DOI: 10.1021/ml500354e BindingDB Entry DOI: 10.7270/Q2M61MWR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50534995 (CHEMBL4095008) Show SMILES CC[C@@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of full length His-tagged human recombinant PI3Kdelta expressed in baculovirus by select screen kinase profiling assay				Bioorg Med Chem Lett 26: 4790-4794 (2016) Article DOI: 10.1016/j.bmcl.2016.08.028 BindingDB Entry DOI: 10.7270/Q21J9F98
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50315213 (2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...) Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2	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	MMDB PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of PI3K-delta (unknown origin) assessed as decrease in ATP consumption using phosphotidylinositol bisphosphate and 10 uM ATP as substrate ...				ACS Med Chem Lett 4: 206-210 (2013) Article DOI: 10.1021/ml300336j BindingDB Entry DOI: 10.7270/Q2JH3NHG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50315213 (2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...) Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2	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	MMDB PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) expressed in SF21 cells using phosphatidylinositol as substrate after 60 mins by Kinase-Glo assay				Bioorg Med Chem Lett 23: 802-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.076 BindingDB Entry DOI: 10.7270/Q2WM1FQ2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50534993 (CHEMBL4469651) Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC(=O)[C@H]2CCCN2)CC1)N1CCOCC1 |r| Show InChI InChI=1S/C25H31F2N9O2/c26-21(27)22-29-17-4-1-2-6-19(17)36(22)25-31-23(30-24(32-25)35-12-14-38-15-13-35)34-10-8-33(9-11-34)16-20(37)18-5-3-7-28-18/h1-2,4,6,18,21,28H,3,5,7-16H2/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta N836D mutant (unknown origin) expressed in Sf21 cells co-expressing p85 by kinase-glo luminescence assay				Bioorg Med Chem Lett 26: 4790-4794 (2016) Article DOI: 10.1016/j.bmcl.2016.08.028 BindingDB Entry DOI: 10.7270/Q21J9F98
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50534995 (CHEMBL4095008) Show SMILES CC[C@@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta N836D mutant (unknown origin) expressed in Sf21 cells co-expressing p85 by kinase-glo luminescence assay				Bioorg Med Chem Lett 26: 4790-4794 (2016) Article DOI: 10.1016/j.bmcl.2016.08.028 BindingDB Entry DOI: 10.7270/Q21J9F98
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50315213 (2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...) Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2	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	6	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of PI3K-alpha (unknown origin) assessed as decrease in ATP consumption using phosphotidylinositol bisphosphate and 10 uM ATP as substrate ...				ACS Med Chem Lett 4: 206-210 (2013) Article DOI: 10.1021/ml300336j BindingDB Entry DOI: 10.7270/Q2JH3NHG
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50315213 (2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...) Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2	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	6	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of PI3K-beta (unknown origin) assessed as decrease in ATP consumption using phosphotidylinositol bisphosphate and 10 uM ATP as substrate m...				ACS Med Chem Lett 4: 206-210 (2013) Article DOI: 10.1021/ml300336j BindingDB Entry DOI: 10.7270/Q2JH3NHG
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50315213 (2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...) Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2	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	6	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta (unknown origin) expressed in SF21 cells using phosphatidylinositol as substrate after 60 mins by Kinase-Glo assay				Bioorg Med Chem Lett 23: 802-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.076 BindingDB Entry DOI: 10.7270/Q2WM1FQ2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50315213 (2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...) Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2	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	MMDB PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human PI3KCdelta by non-radiometric ADP-Glo assay				ACS Med Chem Lett 6: 3-6 (2015) Article DOI: 10.1021/ml500354e BindingDB Entry DOI: 10.7270/Q2M61MWR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50315213 (2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...) Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2	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	6	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta (unknown origin) expressed in Escherichia coli-infected fall armyworm sf21 cells co-expressing p85 by kinase-glo luminescence ...				Eur J Med Chem 122: 339-351 (2016) Article DOI: 10.1016/j.ejmech.2016.06.010 BindingDB Entry DOI: 10.7270/Q24X59RN
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50315213 (2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...) Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2	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	6	n/a	n/a	n/a	n/a	n/a	n/a
Monash Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) expressed in SF21 cells using phosphatidylinositol as substrate after 60 mins by Kinase-Glo assay				Bioorg Med Chem Lett 23: 802-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.076 BindingDB Entry DOI: 10.7270/Q2WM1FQ2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM25028 (4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...) Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human PI3KCdelta by non-radiometric ADP-Glo assay				ACS Med Chem Lett 6: 3-6 (2015) Article DOI: 10.1021/ml500354e BindingDB Entry DOI: 10.7270/Q2M61MWR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50535004 (CHEMBL4555271) Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)C[C@@H]1CCCN1)N1CCOCC1 |r| Show InChI InChI=1S/C25H31F2N9O2/c26-21(27)22-29-18-5-1-2-6-19(18)36(22)25-31-23(30-24(32-25)35-12-14-38-15-13-35)34-10-8-33(9-11-34)20(37)16-17-4-3-7-28-17/h1-2,5-6,17,21,28H,3-4,7-16H2/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta N836D mutant (unknown origin) expressed in Sf21 cells co-expressing p85 by kinase-glo luminescence assay				Bioorg Med Chem Lett 26: 4790-4794 (2016) Article DOI: 10.1016/j.bmcl.2016.08.028 BindingDB Entry DOI: 10.7270/Q21J9F98
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50042923 (CHEMBL3354566) Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C2(CC2)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H21N5O/c1-34-27-17-33-26-11-6-19(21-14-20-4-2-3-5-25(20)32-16-21)15-24(26)28(27)35(29(34)36)23-9-7-22(8-10-23)30(18-31)12-13-30/h2-11,14-17H,12-13H2,1H3	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	7	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human PI3KCalpha by non-radiometric ADP-Glo assay				ACS Med Chem Lett 6: 3-6 (2015) Article DOI: 10.1021/ml500354e BindingDB Entry DOI: 10.7270/Q2M61MWR
					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	8	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human PI3KCalpha by non-radiometric ADP-Glo assay				ACS Med Chem Lett 6: 3-6 (2015) Article DOI: 10.1021/ml500354e BindingDB Entry DOI: 10.7270/Q2M61MWR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50202255 (CHEMBL3982304) Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)[C@H]1CCCN1)N1CCOCC1 |r| Show InChI InChI=1S/C24H29F2N9O2/c25-19(26)20-28-16-4-1-2-6-18(16)35(20)24-30-22(29-23(31-24)34-12-14-37-15-13-34)33-10-8-32(9-11-33)21(36)17-5-3-7-27-17/h1-2,4,6,17,19,27H,3,5,7-15H2/t17-/m1/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	9	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta N836D mutant (unknown origin) expressed in Sf21 cells co-expressing p85 by kinase-glo luminescence assay				Bioorg Med Chem Lett 26: 4790-4794 (2016) Article DOI: 10.1016/j.bmcl.2016.08.028 BindingDB Entry DOI: 10.7270/Q21J9F98
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15| Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 in presence of NADPH by luciferase reporter gene assay				J Med Chem 62: 1330-1347 (2019) Article DOI: 10.1021/acs.jmedchem.8b01464 BindingDB Entry DOI: 10.7270/Q2CF9TKG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15| Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
"Sapienza" Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 in presence of NADPH by luciferase reporter gene assay				J Med Chem 62: 1330-1347 (2019) Article DOI: 10.1021/acs.jmedchem.8b01464 BindingDB Entry DOI: 10.7270/Q2CF9TKG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM81368 (PIK90) Show SMILES COc1ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc2c1OC |c:22,t:6| Show InChI InChI=1S/C18H17N5O3/c1-25-13-6-5-12-14(15(13)26-2)21-18(23-9-8-20-16(12)23)22-17(24)11-4-3-7-19-10-11/h3-7,10H,8-9H2,1-2H3,(H,21,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human PI3KCalpha by non-radiometric ADP-Glo assay				ACS Med Chem Lett 6: 3-6 (2015) Article DOI: 10.1021/ml500354e BindingDB Entry DOI: 10.7270/Q2M61MWR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50202255 (CHEMBL3982304) Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)[C@H]1CCCN1)N1CCOCC1 |r| Show InChI InChI=1S/C24H29F2N9O2/c25-19(26)20-28-16-4-1-2-6-18(16)35(20)24-30-22(29-23(31-24)34-12-14-37-15-13-34)33-10-8-32(9-11-33)21(36)17-5-3-7-27-17/h1-2,4,6,17,19,27H,3,5,7-15H2/t17-/m1/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	12	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) expressed in Escherichia coli-infected fall armyworm sf21 cells co-expressing p85 by kinase-glo luminescence...				Eur J Med Chem 122: 339-351 (2016) Article DOI: 10.1016/j.ejmech.2016.06.010 BindingDB Entry DOI: 10.7270/Q24X59RN
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM81368 (PIK90) Show SMILES COc1ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc2c1OC |c:22,t:6| Show InChI InChI=1S/C18H17N5O3/c1-25-13-6-5-12-14(15(13)26-2)21-18(23-9-8-20-16(12)23)22-17(24)11-4-3-7-19-10-11/h3-7,10H,8-9H2,1-2H3,(H,21,22,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human DNA-PK by non-radiometric ADP-Glo assay				ACS Med Chem Lett 6: 3-6 (2015) Article DOI: 10.1021/ml500354e BindingDB Entry DOI: 10.7270/Q2M61MWR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50042924 (CHEMBL1229535) Show SMILES CC(=O)\N=c1\[nH]c(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)NCCO Show InChI InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human PI3KCgamma by non-radiometric ADP-Glo assay				ACS Med Chem Lett 6: 3-6 (2015) Article DOI: 10.1021/ml500354e BindingDB Entry DOI: 10.7270/Q2M61MWR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50534995 (CHEMBL4095008) Show SMILES CC[C@@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) expressed in baculovirus expression system by kinase-glo luminescence assay				Bioorg Med Chem Lett 26: 4790-4794 (2016) Article DOI: 10.1016/j.bmcl.2016.08.028 BindingDB Entry DOI: 10.7270/Q21J9F98
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50535004 (CHEMBL4555271) Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)C[C@@H]1CCCN1)N1CCOCC1 |r| Show InChI InChI=1S/C25H31F2N9O2/c26-21(27)22-29-18-5-1-2-6-19(18)36(22)25-31-23(30-24(32-25)35-12-14-38-15-13-35)34-10-8-33(9-11-34)20(37)16-17-4-3-7-28-17/h1-2,5-6,17,21,28H,3-4,7-16H2/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) expressed in baculovirus expression system by kinase-glo luminescence assay				Bioorg Med Chem Lett 26: 4790-4794 (2016) Article DOI: 10.1016/j.bmcl.2016.08.028 BindingDB Entry DOI: 10.7270/Q21J9F98
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50358828 (CHEMBL1922946) Show SMILES CCOC(=O)N1CCc2c(C1)sc(NC(=O)Cc1cccs1)c2C(=O)OCC Show InChI InChI=1S/C19H22N2O5S2/c1-3-25-18(23)16-13-7-8-21(19(24)26-4-2)11-14(13)28-17(16)20-15(22)10-12-6-5-9-27-12/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville campus) Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4D2 overexpressed in Escherichia coli after 15 mins using [3H]cAMP by scintillation proximity assay				Bioorg Med Chem Lett 21: 7089-93 (2011) Article DOI: 10.1016/j.bmcl.2011.09.109 BindingDB Entry DOI: 10.7270/Q2D21Z1F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50042925 (CHEMBL3218571) Show SMILES Fc1ccc(CN2C(=O)COc3ccc(\C=C4\SC(=S)NC4=O)cc23)cc1Cl Show InChI InChI=1S/C19H12ClFN2O3S2/c20-12-5-11(1-3-13(12)21)8-23-14-6-10(2-4-15(14)26-9-17(23)24)7-16-18(25)22-19(27)28-16/h1-7H,8-9H2,(H,22,25,27)/b16-7+	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
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human PI3KCalpha by non-radiometric ADP-Glo assay				ACS Med Chem Lett 6: 3-6 (2015) Article DOI: 10.1021/ml500354e BindingDB Entry DOI: 10.7270/Q2M61MWR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50535000 (CHEMBL4466025) Show SMILES NC(=O)CNC(=O)[C@H]1CCCN(C1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 |r| Show InChI InChI=1S/C23H27F2N9O3/c24-18(25)19-28-15-5-1-2-6-16(15)34(19)23-30-21(32-8-10-37-11-9-32)29-22(31-23)33-7-3-4-14(13-33)20(36)27-12-17(26)35/h1-2,5-6,14,18H,3-4,7-13H2,(H2,26,35)(H,27,36)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta (unknown origin) expressed in baculovirus expression system by kinase-glo luminescence assay				Bioorg Med Chem Lett 26: 4790-4794 (2016) Article DOI: 10.1016/j.bmcl.2016.08.028 BindingDB Entry DOI: 10.7270/Q21J9F98
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50535001 (CHEMBL4437231) Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)[C@@H]1CCCCN1)N1CCOCC1 |r| Show InChI InChI=1S/C25H31F2N9O2/c26-20(27)21-29-17-5-1-2-7-19(17)36(21)25-31-23(30-24(32-25)35-13-15-38-16-14-35)34-11-9-33(10-12-34)22(37)18-6-3-4-8-28-18/h1-2,5,7,18,20,28H,3-4,6,8-16H2/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta N836D mutant (unknown origin) expressed in Sf21 cells co-expressing p85 by kinase-glo luminescence assay				Bioorg Med Chem Lett 26: 4790-4794 (2016) Article DOI: 10.1016/j.bmcl.2016.08.028 BindingDB Entry DOI: 10.7270/Q21J9F98
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50403068 (CHEMBL2216870 | IDELALISIB | US9745321, CAL-101) Show SMILES CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human PI3KCdelta by non-radiometric ADP-Glo assay				ACS Med Chem Lett 6: 3-6 (2015) Article DOI: 10.1021/ml500354e BindingDB Entry DOI: 10.7270/Q2M61MWR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50426459 (CHEMBL2322668) Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)[C@@H]1CCCN1)N1CCOCC1 |r| Show InChI InChI=1S/C24H29F2N9O2/c25-19(26)20-28-16-4-1-2-6-18(16)35(20)24-30-22(29-23(31-24)34-12-14-37-15-13-34)33-10-8-32(9-11-33)21(36)17-5-3-7-27-17/h1-2,4,6,17,19,27H,3,5,7-15H2/t17-/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	26	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of PI3K-beta (unknown origin) assessed as decrease in ATP consumption using phosphotidylinositol bisphosphate and 10 uM ATP as substrate m...				ACS Med Chem Lett 4: 206-210 (2013) Article DOI: 10.1021/ml300336j BindingDB Entry DOI: 10.7270/Q2JH3NHG
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta (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	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human PI3KC2beta by non-radiometric ADP-Glo assay				ACS Med Chem Lett 6: 3-6 (2015) Article DOI: 10.1021/ml500354e BindingDB Entry DOI: 10.7270/Q2M61MWR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50426453 (CHEMBL2322661) Show SMILES CC(=O)NCC(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 Show InChI InChI=1S/C23H27F2N9O3/c1-15(35)26-14-18(36)31-6-8-32(9-7-31)21-28-22(33-10-12-37-13-11-33)30-23(29-21)34-17-5-3-2-4-16(17)27-20(34)19(24)25/h2-5,19H,6-14H2,1H3,(H,26,35)	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	26	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of PI3K-delta (unknown origin) assessed as decrease in ATP consumption using phosphotidylinositol bisphosphate and 10 uM ATP as substrate ...				ACS Med Chem Lett 4: 206-210 (2013) Article DOI: 10.1021/ml300336j BindingDB Entry DOI: 10.7270/Q2JH3NHG
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50358830 (CHEMBL1923066) Show SMILES CCNC(=O)N1CCc2c(C1)sc(NC(=O)Cc1ccccc1)c2C(=O)OCC Show InChI InChI=1S/C21H25N3O4S/c1-3-22-21(27)24-11-10-15-16(13-24)29-19(18(15)20(26)28-4-2)23-17(25)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,22,27)(H,23,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville campus) Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE4D2 overexpressed in Escherichia coli after 15 mins using [3H]cAMP by scintillation proximity assay				Bioorg Med Chem Lett 21: 7089-93 (2011) Article DOI: 10.1016/j.bmcl.2011.09.109 BindingDB Entry DOI: 10.7270/Q2D21Z1F
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50534994 (CHEMBL4553967) Show SMILES NC(=O)[C@H](CO)NC(=O)C1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 |r| Show InChI InChI=1S/C24H29F2N9O4/c25-18(26)20-28-15-3-1-2-4-17(15)35(20)24-31-22(30-23(32-24)34-9-11-39-12-10-34)33-7-5-14(6-8-33)21(38)29-16(13-36)19(27)37/h1-4,14,16,18,36H,5-13H2,(H2,27,37)(H,29,38)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) expressed in baculovirus expression system by kinase-glo luminescence assay				Bioorg Med Chem Lett 26: 4790-4794 (2016) Article DOI: 10.1016/j.bmcl.2016.08.028 BindingDB Entry DOI: 10.7270/Q21J9F98
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50426459 (CHEMBL2322668) Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)[C@@H]1CCCN1)N1CCOCC1 |r| Show InChI InChI=1S/C24H29F2N9O2/c25-19(26)20-28-16-4-1-2-6-18(16)35(20)24-30-22(29-23(31-24)34-12-14-37-15-13-34)33-10-8-32(9-11-33)21(36)17-5-3-7-27-17/h1-2,4,6,17,19,27H,3,5,7-15H2/t17-/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	30	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in human washed platelets assessed as suppression of ADP-induced platelet aggregation preincubated for 5 mins followed by ADP ...				Eur J Med Chem 122: 339-351 (2016) Article DOI: 10.1016/j.ejmech.2016.06.010 BindingDB Entry DOI: 10.7270/Q24X59RN
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50426450 (CHEMBL2322664) Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 |r| Show InChI InChI=1S/C28H31F2N9O2/c29-23(30)24-32-21-8-4-5-9-22(21)39(24)28-34-26(33-27(35-28)38-14-16-41-17-15-38)37-12-10-36(11-13-37)25(40)20(31)18-19-6-2-1-3-7-19/h1-9,20,23H,10-18,31H2/t20-/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	30	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in human washed platelets assessed as suppression of ADP-induced platelet aggregation preincubated for 5 mins followed by ADP ...				Eur J Med Chem 122: 339-351 (2016) Article DOI: 10.1016/j.ejmech.2016.06.010 BindingDB Entry DOI: 10.7270/Q24X59RN
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50202255 (CHEMBL3982304) Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)[C@H]1CCCN1)N1CCOCC1 |r| Show InChI InChI=1S/C24H29F2N9O2/c25-19(26)20-28-16-4-1-2-6-18(16)35(20)24-30-22(29-23(31-24)34-12-14-37-15-13-34)33-10-8-32(9-11-33)21(36)17-5-3-7-27-17/h1-2,4,6,17,19,27H,3,5,7-15H2/t17-/m1/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	30	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in human washed platelets assessed as suppression of ADP-induced platelet aggregation preincubated for 5 mins followed by ADP ...				Eur J Med Chem 122: 339-351 (2016) Article DOI: 10.1016/j.ejmech.2016.06.010 BindingDB Entry DOI: 10.7270/Q24X59RN
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50426452 (CHEMBL2322662) Show SMILES C[C@H](N)C(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 |r| Show InChI InChI=1S/C22H27F2N9O2/c1-14(25)19(34)30-6-8-31(9-7-30)20-27-21(32-10-12-35-13-11-32)29-22(28-20)33-16-5-3-2-4-15(16)26-18(33)17(23)24/h2-5,14,17H,6-13,25H2,1H3/t14-/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	31	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of PI3K-beta (unknown origin) assessed as decrease in ATP consumption using phosphotidylinositol bisphosphate and 10 uM ATP as substrate m...				ACS Med Chem Lett 4: 206-210 (2013) Article DOI: 10.1021/ml300336j BindingDB Entry DOI: 10.7270/Q2JH3NHG
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50042922 (CHEMBL3218581) Show SMILES Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1csc(n1)C(C)(C)C |r| Show InChI InChI=1S/C17H23N5O2S2/c1-9-12(10-8-25-14(20-10)17(2,3)4)26-15(19-9)21-16(24)22-7-5-6-11(22)13(18)23/h8,11H,5-7H2,1-4H3,(H2,18,23)(H,19,21,24)/t11-/m0/s1	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	32	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human PI3KCalpha by non-radiometric ADP-Glo assay				ACS Med Chem Lett 6: 3-6 (2015) Article DOI: 10.1021/ml500354e BindingDB Entry DOI: 10.7270/Q2M61MWR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50535000 (CHEMBL4466025) Show SMILES NC(=O)CNC(=O)[C@H]1CCCN(C1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 |r| Show InChI InChI=1S/C23H27F2N9O3/c24-18(25)19-28-15-5-1-2-6-16(15)34(19)23-30-21(32-8-10-37-11-9-32)29-22(31-23)33-7-3-4-14(13-33)20(36)27-12-17(26)35/h1-2,5-6,14,18H,3-4,7-13H2,(H2,26,35)(H,27,36)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) expressed in baculovirus expression system by kinase-glo luminescence assay				Bioorg Med Chem Lett 26: 4790-4794 (2016) Article DOI: 10.1016/j.bmcl.2016.08.028 BindingDB Entry DOI: 10.7270/Q21J9F98
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50147675 (CHEMBL3764883) Show SMILES O=c1nc(oc2c(cccc12)-c1cccc2c3ccccc3sc12)N1CCOCC1 Show InChI InChI=1S/C24H18N2O3S/c27-23-19-9-3-6-16(21(19)29-24(25-23)26-11-13-28-14-12-26)18-8-4-7-17-15-5-1-2-10-20(15)30-22(17)18/h1-10H,11-14H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
La Trobe University Curated by ChEMBL					Assay Description Inhibition of human DNA-PK using EPPLSQEAFADLWKK as substrate by HTRF assay				Eur J Med Chem 110: 326-39 (2016) Article DOI: 10.1016/j.ejmech.2016.01.042 BindingDB Entry DOI: 10.7270/Q2H133V6
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha (Homo sapiens (Human))	BDBM50042923 (CHEMBL3354566) Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C2(CC2)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H21N5O/c1-34-27-17-33-26-11-6-19(21-14-20-4-2-3-5-25(20)32-16-21)15-24(26)28(27)35(29(34)36)23-9-7-22(8-10-23)30(18-31)12-13-30/h2-11,14-17H,12-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human PI3KC2alpha by non-radiometric ADP-Glo assay				ACS Med Chem Lett 6: 3-6 (2015) Article DOI: 10.1021/ml500354e BindingDB Entry DOI: 10.7270/Q2M61MWR
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50535000 (CHEMBL4466025) Show SMILES NC(=O)CNC(=O)[C@H]1CCCN(C1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 |r| Show InChI InChI=1S/C23H27F2N9O3/c24-18(25)19-28-15-5-1-2-6-16(15)34(19)23-30-21(32-8-10-37-11-9-32)29-22(31-23)33-7-3-4-14(13-33)20(36)27-12-17(26)35/h1-2,5-6,14,18H,3-4,7-13H2,(H2,26,35)(H,27,36)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) expressed in baculovirus expression system by kinase-glo luminescence assay				Bioorg Med Chem Lett 26: 4790-4794 (2016) Article DOI: 10.1016/j.bmcl.2016.08.028 BindingDB Entry DOI: 10.7270/Q21J9F98
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50426454 (CHEMBL2322660) Show SMILES NCC(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 Show InChI InChI=1S/C21H25F2N9O2/c22-17(23)18-25-14-3-1-2-4-15(14)32(18)21-27-19(26-20(28-21)31-9-11-34-12-10-31)30-7-5-29(6-8-30)16(33)13-24/h1-4,17H,5-13,24H2	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	35	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of PI3K-beta (unknown origin) assessed as decrease in ATP consumption using phosphotidylinositol bisphosphate and 10 uM ATP as substrate m...				ACS Med Chem Lett 4: 206-210 (2013) Article DOI: 10.1021/ml300336j BindingDB Entry DOI: 10.7270/Q2JH3NHG
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50534996 (CHEMBL4528472) Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)[C@H]1CCCCN1)N1CCOCC1 |r| Show InChI InChI=1S/C25H31F2N9O2/c26-20(27)21-29-17-5-1-2-7-19(17)36(21)25-31-23(30-24(32-25)35-13-15-38-16-14-35)34-11-9-33(10-12-34)22(37)18-6-3-4-8-28-18/h1-2,5,7,18,20,28H,3-4,6,8-16H2/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta N836D mutant (unknown origin) expressed in Sf21 cells co-expressing p85 by kinase-glo luminescence assay				Bioorg Med Chem Lett 26: 4790-4794 (2016) Article DOI: 10.1016/j.bmcl.2016.08.028 BindingDB Entry DOI: 10.7270/Q21J9F98
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50202255 (CHEMBL3982304) Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)[C@H]1CCCN1)N1CCOCC1 |r| Show InChI InChI=1S/C24H29F2N9O2/c25-19(26)20-28-16-4-1-2-6-18(16)35(20)24-30-22(29-23(31-24)34-12-14-37-15-13-34)33-10-8-32(9-11-33)21(36)17-5-3-7-27-17/h1-2,4,6,17,19,27H,3,5,7-15H2/t17-/m1/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	36	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta (unknown origin) expressed in Escherichia coli-infected fall armyworm sf21 cells co-expressing p85 by kinase-glo luminescence ...				Eur J Med Chem 122: 339-351 (2016) Article DOI: 10.1016/j.ejmech.2016.06.010 BindingDB Entry DOI: 10.7270/Q24X59RN
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50535006 (CHEMBL4459584) Show SMILES OC(=O)C1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 Show InChI InChI=1S/C21H23F2N7O3/c22-16(23)17-24-14-3-1-2-4-15(14)30(17)21-26-19(28-7-5-13(6-8-28)18(31)32)25-20(27-21)29-9-11-33-12-10-29/h1-4,13,16H,5-12H2,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) expressed in baculovirus expression system by kinase-glo luminescence assay				Bioorg Med Chem Lett 26: 4790-4794 (2016) Article DOI: 10.1016/j.bmcl.2016.08.028 BindingDB Entry DOI: 10.7270/Q21J9F98
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50535003 (CHEMBL4459749) Show SMILES NC(=O)CNC(=O)[C@@H]1CCCN(C1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1 |r| Show InChI InChI=1S/C23H27F2N9O3/c24-18(25)19-28-15-5-1-2-6-16(15)34(19)23-30-21(32-8-10-37-11-9-32)29-22(31-23)33-7-3-4-14(13-33)20(36)27-12-17(26)35/h1-2,5-6,14,18H,3-4,7-13H2,(H2,26,35)(H,27,36)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) expressed in baculovirus expression system by kinase-glo luminescence assay				Bioorg Med Chem Lett 26: 4790-4794 (2016) Article DOI: 10.1016/j.bmcl.2016.08.028 BindingDB Entry DOI: 10.7270/Q21J9F98
					More data for this Ligand-Target Pair

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