Compile Data Set for Download or QSAR

Found 83 hits with Last Name = 'liu' and Initial = 'dd'   

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))	BDBM50456923 (CHEMBL4213353) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(C(=O)NCCN3CCOCC3)n2c1 Show InChI InChI=1S/C26H26F2N6O5S/c1-38-26-21(32-40(36,37)23-4-3-19(27)13-20(23)28)12-18(14-31-26)17-2-5-24-30-15-22(34(24)16-17)25(35)29-6-7-33-8-10-39-11-9-33/h2-5,12-16,32H,6-11H2,1H3,(H,29,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full-length human p110alpha/untagged recombinant full length human p85alpha expressed in baculovirus...				Eur J Med Chem 139: 95-106 (2017) Article DOI: 10.1016/j.ejmech.2017.07.074 BindingDB Entry DOI: 10.7270/Q2KH0QXV
					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))	BDBM50341493 (CHEMBL1765463 | Ethyl 6-(5-(Phenylsulfonamido)pyri...) Show SMILES CCOC(=O)c1cnc2ccc(cn12)-c1cncc(NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C21H18N4O4S/c1-2-29-21(26)19-13-23-20-9-8-15(14-25(19)20)16-10-17(12-22-11-16)24-30(27,28)18-6-4-3-5-7-18/h3-14,24H,2H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full-length human p110alpha/untagged recombinant full length human p85alpha expressed in baculovirus...				Eur J Med Chem 139: 95-106 (2017) Article DOI: 10.1016/j.ejmech.2017.07.074 BindingDB Entry DOI: 10.7270/Q2KH0QXV
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5447 (CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after...				Eur J Med Chem 146: 460-470 (2018) Article DOI: 10.1016/j.ejmech.2018.01.081 BindingDB Entry DOI: 10.7270/Q2NZ8B7G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50457968 (CHEMBL4207750) Show SMILES CCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C22H19ClFN5O3S/c1-3-33(30,31)29-20-9-14(11-25-22(20)32-2)13-4-7-19-16(8-13)21(27-12-26-19)28-15-5-6-18(24)17(23)10-15/h4-12,29H,3H2,1-2H3,(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition and measured after...				Eur J Med Chem 146: 460-470 (2018) Article DOI: 10.1016/j.ejmech.2018.01.081 BindingDB Entry DOI: 10.7270/Q2NZ8B7G
					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))	BDBM50456924 (CHEMBL4207685) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(C(=O)NCCCN3CCOCC3)n2c1 Show InChI InChI=1S/C27H28F2N6O5S/c1-39-27-22(33-41(37,38)24-5-4-20(28)14-21(24)29)13-19(15-32-27)18-3-6-25-31-16-23(35(25)17-18)26(36)30-7-2-8-34-9-11-40-12-10-34/h3-6,13-17,33H,2,7-12H2,1H3,(H,30,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full-length human p110alpha/untagged recombinant full length human p85alpha expressed in baculovirus...				Eur J Med Chem 139: 95-106 (2017) Article DOI: 10.1016/j.ejmech.2017.07.074 BindingDB Entry DOI: 10.7270/Q2KH0QXV
					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))	BDBM50456925 (CHEMBL4207150) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncn(CCCN3CCOCC3)c(=O)c2c1 Show InChI InChI=1S/C27H27F2N5O5S/c1-38-26-24(32-40(36,37)25-6-4-20(28)15-22(25)29)14-19(16-30-26)18-3-5-23-21(13-18)27(35)34(17-31-23)8-2-7-33-9-11-39-12-10-33/h3-6,13-17,32H,2,7-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full-length human p110alpha/untagged recombinant full length human p85alpha expressed in baculovirus...				Eur J Med Chem 139: 95-106 (2017) Article DOI: 10.1016/j.ejmech.2017.07.074 BindingDB Entry DOI: 10.7270/Q2KH0QXV
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM476688 ((R)-3-Imino-2,2,5-trimethyl-5-(8- (prop-1-yn-1-yl)...) Show SMILES CC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r| Show InChI InChI=1S/C22H22N2O2S2/c1-5-6-14-7-9-18-16(11-14)17-12-15(8-10-19(17)27-18)22(4)13-28(25,26)21(2,3)20(23)24-22/h7-12H,13H2,1-4H3,(H2,23,24)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
ALLGENESIS BIOTHERAPEUTICS, INC. US Patent					Assay Description A BACE2 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected compounds by AnaSpec BACE2 fluorescent as...				US Patent US10870635 (2020) BindingDB Entry DOI: 10.7270/Q2474DXV
					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))	BDBM50460228 (CHEMBL4227780) Show SMILES CCCCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2ncnc(NCCN(C)C)c2c1 Show InChI InChI=1S/C22H30N6O3S/c1-5-6-11-32(29,30)27-20-13-17(14-24-22(20)31-4)16-7-8-19-18(12-16)21(26-15-25-19)23-9-10-28(2)3/h7-8,12-15,27H,5-6,9-11H2,1-4H3,(H,23,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged full length PI3K p110alpha (unknown origin)/recombinant untagged full length p85alpha (unknown origi...				Bioorg Med Chem 26: 1675-1685 (2018) Article DOI: 10.1016/j.bmc.2018.02.015 BindingDB Entry DOI: 10.7270/Q2GF0X3Z
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM476692 ((R)-5-(3-Fluoro-8-(prop-1-yn-1-yl) dibenzo[b,d]thi...) Show SMILES CC#Cc1ccc2sc3cc(F)c(cc3c2c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r| Show InChI InChI=1S/C22H21FN2O2S2/c1-5-6-13-7-8-18-14(9-13)15-10-16(17(23)11-19(15)28-18)22(4)12-29(26,27)21(2,3)20(24)25-22/h7-11H,12H2,1-4H3,(H2,24,25)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
ALLGENESIS BIOTHERAPEUTICS, INC. US Patent					Assay Description A BACE2 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected compounds by AnaSpec BACE2 fluorescent as...				US Patent US10870635 (2020) BindingDB Entry DOI: 10.7270/Q2474DXV
					More data for this Ligand-Target Pair
Phosphatidylinositol 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 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	16	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of PI3K p110alpha (unknown origin) using PIP2 as substrate by ELISA				Eur J Med Chem 146: 460-470 (2018) Article DOI: 10.1016/j.ejmech.2018.01.081 BindingDB Entry DOI: 10.7270/Q2NZ8B7G
					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	16	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged full length PI3K p110alpha (unknown origin)/recombinant untagged full length p85alpha (unknown origi...				Bioorg Med Chem 26: 1675-1685 (2018) Article DOI: 10.1016/j.bmc.2018.02.015 BindingDB Entry DOI: 10.7270/Q2GF0X3Z
					More data for this Ligand-Target Pair
Phosphatidylinositol 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 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	16	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human PI3K-alpha using PIP2:3PS as substrate preincubated for 15 mins followed by ATP addition measured after 1 hr by ADP-G...				Bioorg Med Chem 26: 3982-3991 (2018) Article DOI: 10.1016/j.bmc.2018.06.022 BindingDB Entry DOI: 10.7270/Q2FR0098
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM476679 ((S)-6-(8-(3-Hydroxyprop-1-yn-1-yl) dibenzo[b,d]thi...) Show SMILES CN1C(=N)N[C@@](C)(CC1=O)c1ccc2sc3ccc(cc3c2c1)C#CCO |r| Show InChI InChI=1S/C21H19N3O2S/c1-21(12-19(26)24(2)20(22)23-21)14-6-8-18-16(11-14)15-10-13(4-3-9-25)5-7-17(15)27-18/h5-8,10-11,25H,9,12H2,1-2H3,(H2,22,23)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
ALLGENESIS BIOTHERAPEUTICS, INC. US Patent					Assay Description A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...				US Patent US10870635 (2020) BindingDB Entry DOI: 10.7270/Q2474DXV
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM476666 ((S)-6-(3-Fluoro-8-(prop-1-yn-1-yl) dibenzo[b,d]thi...) Show SMILES CC#Cc1ccc2sc3cc(F)c(cc3c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 |r| Show InChI InChI=1S/C21H18FN3OS/c1-4-5-12-6-7-17-13(8-12)14-9-15(16(22)10-18(14)27-17)21(2)11-19(26)25(3)20(23)24-21/h6-10H,11H2,1-3H3,(H2,23,24)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
ALLGENESIS BIOTHERAPEUTICS, INC. US Patent					Assay Description A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...				US Patent US10870635 (2020) BindingDB Entry DOI: 10.7270/Q2474DXV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma 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 GoogleScholar AffyNet	Purchase MCE 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
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged full length PI3K p120gamma expressed in baculovirus infected Sf21 insect cells by ELISA				Bioorg Med Chem 26: 1675-1685 (2018) Article DOI: 10.1016/j.bmc.2018.02.015 BindingDB Entry DOI: 10.7270/Q2GF0X3Z
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma 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 GoogleScholar AffyNet	Purchase MCE 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
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of PI3K p110gamma (unknown origin) using PIP2 as substrate by ELISA				Eur J Med Chem 146: 460-470 (2018) Article DOI: 10.1016/j.ejmech.2018.01.081 BindingDB Entry DOI: 10.7270/Q2NZ8B7G
					More data for this Ligand-Target Pair
Beta-secretase 2 (Homo sapiens (Human))	BDBM476661 ((S)-6-(3-Chloro-5-(prop-1-yn-1-yl)- 1H-indol-2-yl)...) Show SMILES CC#Cc1ccc2[nH]c(c(Cl)c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
ALLGENESIS BIOTHERAPEUTICS, INC. US Patent					Assay Description A BACE2 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected compounds by AnaSpec BACE2 fluorescent as...				US Patent US10870635 (2020) BindingDB Entry DOI: 10.7270/Q2474DXV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma 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 GoogleScholar AffyNet	Purchase MCE 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
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human PI3K-gamma using PIP2:3PS as substrate preincubated for 15 mins followed by ATP addition measured after 1 hr by ADP-G...				Bioorg Med Chem 26: 3982-3991 (2018) Article DOI: 10.1016/j.bmc.2018.06.022 BindingDB Entry DOI: 10.7270/Q2FR0098
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM476692 ((R)-5-(3-Fluoro-8-(prop-1-yn-1-yl) dibenzo[b,d]thi...) Show SMILES CC#Cc1ccc2sc3cc(F)c(cc3c2c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r| Show InChI InChI=1S/C22H21FN2O2S2/c1-5-6-13-7-8-18-14(9-13)15-10-16(17(23)11-19(15)28-18)22(4)12-29(26,27)21(2,3)20(24)25-22/h7-11H,12H2,1-4H3,(H2,24,25)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
ALLGENESIS BIOTHERAPEUTICS, INC. US Patent					Assay Description A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...				US Patent US10870635 (2020) BindingDB Entry DOI: 10.7270/Q2474DXV
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM476692 ((R)-5-(3-Fluoro-8-(prop-1-yn-1-yl) dibenzo[b,d]thi...) Show SMILES CC#Cc1ccc2sc3cc(F)c(cc3c2c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r| Show InChI InChI=1S/C22H21FN2O2S2/c1-5-6-13-7-8-18-14(9-13)15-10-16(17(23)11-19(15)28-18)22(4)12-29(26,27)21(2,3)20(24)25-22/h7-11H,12H2,1-4H3,(H2,24,25)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
ALLGENESIS BIOTHERAPEUTICS, INC. US Patent					Assay Description A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...				US Patent US10870635 (2020) BindingDB Entry DOI: 10.7270/Q2474DXV
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM476660 ((S)-2-Imino-3,6-dimethyl-6-(8-(prop- 1-yn-1-yl)dib...) Show SMILES CC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 |r| Show InChI InChI=1S/C21H19N3OS/c1-4-5-13-6-8-17-15(10-13)16-11-14(7-9-18(16)26-17)21(2)12-19(25)24(3)20(22)23-21/h6-11H,12H2,1-3H3,(H2,22,23)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
ALLGENESIS BIOTHERAPEUTICS, INC. US Patent					Assay Description A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...				US Patent US10870635 (2020) BindingDB Entry DOI: 10.7270/Q2474DXV
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM476660 ((S)-2-Imino-3,6-dimethyl-6-(8-(prop- 1-yn-1-yl)dib...) Show SMILES CC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 |r| Show InChI InChI=1S/C21H19N3OS/c1-4-5-13-6-8-17-15(10-13)16-11-14(7-9-18(16)26-17)21(2)12-19(25)24(3)20(22)23-21/h6-11H,12H2,1-3H3,(H2,22,23)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
ALLGENESIS BIOTHERAPEUTICS, INC. US Patent					Assay Description A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...				US Patent US10870635 (2020) BindingDB Entry DOI: 10.7270/Q2474DXV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50462630 (CHEMBL4251210) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2OCC(=O)N(CCCN3CCOCC3)c2c1 Show InChI InChI=1S/C27H28F2N4O6S/c1-37-27-22(31-40(35,36)25-6-4-20(28)15-21(25)29)13-19(16-30-27)18-3-5-24-23(14-18)33(26(34)17-39-24)8-2-7-32-9-11-38-12-10-32/h3-6,13-16,31H,2,7-12,17H2,1H3	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	27	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human PI3K-alpha using PIP2:3PS as substrate preincubated for 15 mins followed by ATP addition measured after 1 hr by ADP-G...				Bioorg Med Chem 26: 3982-3991 (2018) Article DOI: 10.1016/j.bmc.2018.06.022 BindingDB Entry DOI: 10.7270/Q2FR0098
					More data for this Ligand-Target Pair
Phosphatidylinositol 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 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	36	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human PI3K-beta using PIP2:3PS as substrate preincubated for 15 mins followed by ATP addition measured after 1 hr by ADP-Gl...				Bioorg Med Chem 26: 3982-3991 (2018) Article DOI: 10.1016/j.bmc.2018.06.022 BindingDB Entry DOI: 10.7270/Q2FR0098
					More data for this Ligand-Target Pair
Phosphatidylinositol 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 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	36	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of PI3K p110beta (unknown origin) using PIP2 as substrate by ELISA				Eur J Med Chem 146: 460-470 (2018) Article DOI: 10.1016/j.ejmech.2018.01.081 BindingDB Entry DOI: 10.7270/Q2NZ8B7G
					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	36	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full-length PI3Kbeta (unknown origin)/untagged recombinant full length p85alpha expressed in baculov...				Bioorg Med Chem 26: 1675-1685 (2018) Article DOI: 10.1016/j.bmc.2018.02.015 BindingDB Entry DOI: 10.7270/Q2GF0X3Z
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50456924 (CHEMBL4207685) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(C(=O)NCCCN3CCOCC3)n2c1 Show InChI InChI=1S/C27H28F2N6O5S/c1-39-27-22(33-41(37,38)24-5-4-20(28)14-21(24)29)13-19(15-32-27)18-3-6-25-31-16-23(35(25)17-18)26(36)30-7-2-8-34-9-11-40-12-10-34/h3-6,13-17,33H,2,7-12H2,1H3,(H,30,36)	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	37	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full-length human PI3Kgamma expressed in baculovirus infected Sf21 insect cells using PIP2 as substr...				Eur J Med Chem 139: 95-106 (2017) Article DOI: 10.1016/j.ejmech.2017.07.074 BindingDB Entry DOI: 10.7270/Q2KH0QXV
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM476688 ((R)-3-Imino-2,2,5-trimethyl-5-(8- (prop-1-yn-1-yl)...) Show SMILES CC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r| Show InChI InChI=1S/C22H22N2O2S2/c1-5-6-14-7-9-18-16(11-14)17-12-15(8-10-19(17)27-18)22(4)13-28(25,26)21(2,3)20(23)24-22/h7-12H,13H2,1-4H3,(H2,23,24)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
ALLGENESIS BIOTHERAPEUTICS, INC. US Patent					Assay Description A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...				US Patent US10870635 (2020) BindingDB Entry DOI: 10.7270/Q2474DXV
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM476688 ((R)-3-Imino-2,2,5-trimethyl-5-(8- (prop-1-yn-1-yl)...) Show SMILES CC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r| Show InChI InChI=1S/C22H22N2O2S2/c1-5-6-14-7-9-18-16(11-14)17-12-15(8-10-19(17)27-18)22(4)13-28(25,26)21(2,3)20(23)24-22/h7-12H,13H2,1-4H3,(H2,23,24)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
ALLGENESIS BIOTHERAPEUTICS, INC. US Patent					Assay Description A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...				US Patent US10870635 (2020) BindingDB Entry DOI: 10.7270/Q2474DXV
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM476688 ((R)-3-Imino-2,2,5-trimethyl-5-(8- (prop-1-yn-1-yl)...) Show SMILES CC#Cc1ccc2sc3ccc(cc3c2c1)[C@]1(C)CS(=O)(=O)C(C)(C)C(=N)N1 |r| Show InChI InChI=1S/C22H22N2O2S2/c1-5-6-14-7-9-18-16(11-14)17-12-15(8-10-19(17)27-18)22(4)13-28(25,26)21(2,3)20(23)24-22/h7-12H,13H2,1-4H3,(H2,23,24)/t22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
ALLGENESIS BIOTHERAPEUTICS, INC. US Patent					Assay Description A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...				US Patent US10870635 (2020) BindingDB Entry DOI: 10.7270/Q2474DXV
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM476694 ((S)-6-(3-Chloro-8-(prop-1-yn-1-yl) dibenzo[b,d]thi...) Show SMILES CC#Cc1ccc2sc3cc(Cl)c(cc3c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 |r| Show InChI InChI=1S/C21H18ClN3OS/c1-4-5-12-6-7-17-13(8-12)14-9-15(16(22)10-18(14)27-17)21(2)11-19(26)25(3)20(23)24-21/h6-10H,11H2,1-3H3,(H2,23,24)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
ALLGENESIS BIOTHERAPEUTICS, INC. US Patent					Assay Description A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...				US Patent US10870635 (2020) BindingDB Entry DOI: 10.7270/Q2474DXV
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM476661 ((S)-6-(3-Chloro-5-(prop-1-yn-1-yl)- 1H-indol-2-yl)...) Show SMILES CC#Cc1ccc2[nH]c(c(Cl)c2c1)[C@]1(C)CC(=O)N(C)C(=N)N1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
ALLGENESIS BIOTHERAPEUTICS, INC. US Patent					Assay Description A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...				US Patent US10870635 (2020) BindingDB Entry DOI: 10.7270/Q2474DXV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50456923 (CHEMBL4213353) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(C(=O)NCCN3CCOCC3)n2c1 Show InChI InChI=1S/C26H26F2N6O5S/c1-38-26-21(32-40(36,37)23-4-3-19(27)13-20(23)28)12-18(14-31-26)17-2-5-24-30-15-22(34(24)16-17)25(35)29-6-7-33-8-10-39-11-9-33/h2-5,12-16,32H,6-11H2,1H3,(H,29,35)	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	45	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full-length human PI3Kgamma expressed in baculovirus infected Sf21 insect cells using PIP2 as substr...				Eur J Med Chem 139: 95-106 (2017) Article DOI: 10.1016/j.ejmech.2017.07.074 BindingDB Entry DOI: 10.7270/Q2KH0QXV
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM476673 ((6S)-2-Imino-3,6-dimethyl-6-(5-oxido-8- (prop-1-yn...) Show SMILES CC#Cc1ccc2c(c1)c1cc(ccc1s2=O)[C@]1(C)CC(=O)N(C)C(=N)N1 |r| Show InChI InChI=1S/C21H19N3O2S/c1-4-5-13-6-8-17-15(10-13)16-11-14(7-9-18(16)27(17)26)21(2)12-19(25)24(3)20(22)23-21/h6-11H,12H2,1-3H3,(H2,22,23)/t21-,27?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
ALLGENESIS BIOTHERAPEUTICS, INC. US Patent					Assay Description A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...				US Patent US10870635 (2020) BindingDB Entry DOI: 10.7270/Q2474DXV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50341493 (CHEMBL1765463 | Ethyl 6-(5-(Phenylsulfonamido)pyri...) Show SMILES CCOC(=O)c1cnc2ccc(cn12)-c1cncc(NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C21H18N4O4S/c1-2-29-21(26)19-13-23-20-9-8-15(14-25(19)20)16-10-17(12-22-11-16)24-30(27,28)18-6-4-3-5-7-18/h3-14,24H,2H2,1H3	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	59	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate by HTRF colorimetric assay				Eur J Med Chem 139: 95-106 (2017) Article DOI: 10.1016/j.ejmech.2017.07.074 BindingDB Entry DOI: 10.7270/Q2KH0QXV
					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))	BDBM50456925 (CHEMBL4207150) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncn(CCCN3CCOCC3)c(=O)c2c1 Show InChI InChI=1S/C27H27F2N5O5S/c1-38-26-24(32-40(36,37)25-6-4-20(28)15-22(25)29)14-19(16-30-26)18-3-5-23-21(13-18)27(35)34(17-31-23)8-2-7-33-9-11-39-12-10-33/h3-6,13-17,32H,2,7-12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of p110delta/p85alpha (unknown origin) using PIP2 as substrate by HTRF colorimetric assay				Eur J Med Chem 139: 95-106 (2017) Article DOI: 10.1016/j.ejmech.2017.07.074 BindingDB Entry DOI: 10.7270/Q2KH0QXV
					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	78	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal full length human PI3K p110delta/recombinant untagged full length human p85alpha expressed in baculovirus infect...				Bioorg Med Chem 26: 1675-1685 (2018) Article DOI: 10.1016/j.bmc.2018.02.015 BindingDB Entry DOI: 10.7270/Q2GF0X3Z
					More data for this Ligand-Target Pair
Phosphatidylinositol 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 GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human PI3K-delta using PIP2:3PS as substrate preincubated for 15 mins followed by ATP addition measured after 1 hr by ADP-G...				Bioorg Med Chem 26: 3982-3991 (2018) Article DOI: 10.1016/j.bmc.2018.06.022 BindingDB Entry DOI: 10.7270/Q2FR0098
					More data for this Ligand-Target Pair
Phosphatidylinositol 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 GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of PI3K p110delta (unknown origin) using PIP2 as substrate by ELISA				Eur J Med Chem 146: 460-470 (2018) Article DOI: 10.1016/j.ejmech.2018.01.081 BindingDB Entry DOI: 10.7270/Q2NZ8B7G
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM476682 ((S)-6-(8-Cyclopropyldibenzo[b,d] thiophen-2-yl)-2-...) Show SMILES CN1C(=N)N[C@@](C)(CC1=O)c1ccc2sc3ccc(cc3c2c1)C1CC1 |r| Show InChI InChI=1S/C21H21N3OS/c1-21(11-19(25)24(2)20(22)23-21)14-6-8-18-16(10-14)15-9-13(12-3-4-12)5-7-17(15)26-18/h5-10,12H,3-4,11H2,1-2H3,(H2,22,23)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
ALLGENESIS BIOTHERAPEUTICS, INC. US Patent					Assay Description A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...				US Patent US10870635 (2020) BindingDB Entry DOI: 10.7270/Q2474DXV
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM476685 ((S)-2-Imino-3,6-dimethyl-6-(8-(trifluoro- methyl)d...) Show SMILES CN1C(=N)N[C@@](C)(CC1=O)c1ccc2sc3ccc(cc3c2c1)C(F)(F)F |r| Show InChI InChI=1S/C19H16F3N3OS/c1-18(9-16(26)25(2)17(23)24-18)10-3-5-14-12(7-10)13-8-11(19(20,21)22)4-6-15(13)27-14/h3-8H,9H2,1-2H3,(H2,23,24)/t18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
ALLGENESIS BIOTHERAPEUTICS, INC. US Patent					Assay Description A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...				US Patent US10870635 (2020) BindingDB Entry DOI: 10.7270/Q2474DXV
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM476670 ((S)-6-(5,5-Dioxido-8-(prop-1-yn-1-yl) dibenzo[b,d]...) Show SMILES CC#Cc1ccc2c(c1)-c1cc(ccc1S2(=O)=O)[C@]1(C)CC(=O)N(C)C(=N)N1 |r| Show InChI InChI=1S/C21H19N3O3S/c1-4-5-13-6-8-17-15(10-13)16-11-14(7-9-18(16)28(17,26)27)21(2)12-19(25)24(3)20(22)23-21/h6-11H,12H2,1-3H3,(H2,22,23)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
ALLGENESIS BIOTHERAPEUTICS, INC. US Patent					Assay Description A BACE1 activity assay kit from AnaSpec (Fremont, Calif.) was used to determine the potency of the selected BACE1 inhibitors by AnaSpec BACE1 fluores...				US Patent US10870635 (2020) BindingDB Entry DOI: 10.7270/Q2474DXV
					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))	BDBM50341493 (CHEMBL1765463 | Ethyl 6-(5-(Phenylsulfonamido)pyri...) Show SMILES CCOC(=O)c1cnc2ccc(cn12)-c1cncc(NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C21H18N4O4S/c1-2-29-21(26)19-13-23-20-9-8-15(14-25(19)20)16-10-17(12-22-11-16)24-30(27,28)18-6-4-3-5-7-18/h3-14,24H,2H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of p110delta/p85alpha (unknown origin) using PIP2 as substrate by HTRF colorimetric assay				Eur J Med Chem 139: 95-106 (2017) Article DOI: 10.1016/j.ejmech.2017.07.074 BindingDB Entry DOI: 10.7270/Q2KH0QXV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50456923 (CHEMBL4213353) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(C(=O)NCCN3CCOCC3)n2c1 Show InChI InChI=1S/C26H26F2N6O5S/c1-38-26-21(32-40(36,37)23-4-3-19(27)13-20(23)28)12-18(14-31-26)17-2-5-24-30-15-22(34(24)16-17)25(35)29-6-7-33-8-10-39-11-9-33/h2-5,12-16,32H,6-11H2,1H3,(H,29,35)	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	89	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate by HTRF colorimetric assay				Eur J Med Chem 139: 95-106 (2017) Article DOI: 10.1016/j.ejmech.2017.07.074 BindingDB Entry DOI: 10.7270/Q2KH0QXV
					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))	BDBM50456923 (CHEMBL4213353) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(C(=O)NCCN3CCOCC3)n2c1 Show InChI InChI=1S/C26H26F2N6O5S/c1-38-26-21(32-40(36,37)23-4-3-19(27)13-20(23)28)12-18(14-31-26)17-2-5-24-30-15-22(34(24)16-17)25(35)29-6-7-33-8-10-39-11-9-33/h2-5,12-16,32H,6-11H2,1H3,(H,29,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of p110delta/p85alpha (unknown origin) using PIP2 as substrate by HTRF colorimetric assay				Eur J Med Chem 139: 95-106 (2017) Article DOI: 10.1016/j.ejmech.2017.07.074 BindingDB Entry DOI: 10.7270/Q2KH0QXV
					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))	BDBM50456924 (CHEMBL4207685) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(C(=O)NCCCN3CCOCC3)n2c1 Show InChI InChI=1S/C27H28F2N6O5S/c1-39-27-22(33-41(37,38)24-5-4-20(28)14-21(24)29)13-19(15-32-27)18-3-6-25-31-16-23(35(25)17-18)26(36)30-7-2-8-34-9-11-40-12-10-34/h3-6,13-17,33H,2,7-12H2,1H3,(H,30,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of p110delta/p85alpha (unknown origin) using PIP2 as substrate by HTRF colorimetric assay				Eur J Med Chem 139: 95-106 (2017) Article DOI: 10.1016/j.ejmech.2017.07.074 BindingDB Entry DOI: 10.7270/Q2KH0QXV
					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))	BDBM50460228 (CHEMBL4227780) Show SMILES CCCCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2ncnc(NCCN(C)C)c2c1 Show InChI InChI=1S/C22H30N6O3S/c1-5-6-11-32(29,30)27-20-13-17(14-24-22(20)31-4)16-7-8-19-18(12-16)21(26-15-25-19)23-9-10-28(2)3/h7-8,12-15,27H,5-6,9-11H2,1-4H3,(H,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal full length human PI3K p110delta/recombinant untagged full length human p85alpha expressed in baculovirus infect...				Bioorg Med Chem 26: 1675-1685 (2018) Article DOI: 10.1016/j.bmc.2018.02.015 BindingDB Entry DOI: 10.7270/Q2GF0X3Z
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50341493 (CHEMBL1765463 | Ethyl 6-(5-(Phenylsulfonamido)pyri...) Show SMILES CCOC(=O)c1cnc2ccc(cn12)-c1cncc(NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C21H18N4O4S/c1-2-29-21(26)19-13-23-20-9-8-15(14-25(19)20)16-10-17(12-22-11-16)24-30(27,28)18-6-4-3-5-7-18/h3-14,24H,2H2,1H3	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	104	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged recombinant full-length human PI3Kgamma expressed in baculovirus infected Sf21 insect cells using PIP2 as substr...				Eur J Med Chem 139: 95-106 (2017) Article DOI: 10.1016/j.ejmech.2017.07.074 BindingDB Entry DOI: 10.7270/Q2KH0QXV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50456924 (CHEMBL4207685) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(C(=O)NCCCN3CCOCC3)n2c1 Show InChI InChI=1S/C27H28F2N6O5S/c1-39-27-22(33-41(37,38)24-5-4-20(28)14-21(24)29)13-19(15-32-27)18-3-6-25-31-16-23(35(25)17-18)26(36)30-7-2-8-34-9-11-40-12-10-34/h3-6,13-17,33H,2,7-12H2,1H3,(H,30,36)	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	106	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate by HTRF colorimetric assay				Eur J Med Chem 139: 95-106 (2017) Article DOI: 10.1016/j.ejmech.2017.07.074 BindingDB Entry DOI: 10.7270/Q2KH0QXV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50456925 (CHEMBL4207150) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncn(CCCN3CCOCC3)c(=O)c2c1 Show InChI InChI=1S/C27H27F2N5O5S/c1-38-26-24(32-40(36,37)25-6-4-20(28)15-22(25)29)14-19(16-30-26)18-3-5-23-21(13-18)27(35)34(17-31-23)8-2-7-33-9-11-39-12-10-33/h3-6,13-17,32H,2,7-12H2,1H3	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	108	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate by HTRF colorimetric assay				Eur J Med Chem 139: 95-106 (2017) Article DOI: 10.1016/j.ejmech.2017.07.074 BindingDB Entry DOI: 10.7270/Q2KH0QXV
					More data for this Ligand-Target Pair

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