Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with all data for entry = 50000728   

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 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	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of human full length His-tagged PI3Kdelta expressed in baculovirus expression system				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259731 (CHEMBL4075540) Show SMILES COCCOCCNC(=O)CCCC#Cc1cccc2nc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc34)n(Cc3ccccc3Cl)c(=O)c12 Show InChI InChI=1S/C38H37ClN8O5/c1-51-19-20-52-18-17-41-32(49)16-4-2-3-9-25-11-8-15-30-33(25)38(50)46(22-27-10-5-6-14-29(27)39)31(44-30)23-47-37-34(36(40)42-24-43-37)35(45-47)26-12-7-13-28(48)21-26/h5-8,10-15,21,24,48H,2,4,16-20,22-23H2,1H3,(H,41,49)(H2,40,42,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using biotinylated PIP2 as substrate after 2 hrs by TR-FRET assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259733 (CHEMBL4073929) Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(C#CCCCC(=O)N3CCOCC3)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C32H33N9O3/c1-2-24(36-29-23(20-33)28(34)38-32(35)39-29)30-37-25-14-9-11-21(27(25)31(43)41(30)22-12-6-4-7-13-22)10-5-3-8-15-26(42)40-16-18-44-19-17-40/h4,6-7,9,11-14,24H,2-3,8,15-19H2,1H3,(H5,34,35,36,38,39)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					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	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259729 (CHEMBL4060396) Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(C#CCCCC(=O)N3CCCC3)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C32H33N9O2/c1-2-24(36-29-23(20-33)28(34)38-32(35)39-29)30-37-25-16-11-13-21(12-5-3-8-17-26(42)40-18-9-10-19-40)27(25)31(43)41(30)22-14-6-4-7-15-22/h4,6-7,11,13-16,24H,2-3,8-10,17-19H2,1H3,(H5,34,35,36,38,39)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259740 (CHEMBL4098370) Show SMILES Cc1nc(N)nc(N2CCC[C@H]2c2nc3cccc(C#CCCCC(=O)N4CCCC4)c3c(=O)n2-c2ccccc2)c1C#N |r| Show InChI InChI=1S/C34H34N8O2/c1-23-26(22-35)31(39-34(36)37-23)41-21-11-17-28(41)32-38-27-16-10-13-24(12-4-2-7-18-29(43)40-19-8-9-20-40)30(27)33(44)42(32)25-14-5-3-6-15-25/h3,5-6,10,13-16,28H,2,7-9,11,17-21H2,1H3,(H2,36,37,39)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259734 (CHEMBL4087312) Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(C#CCCCO)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C27H26N8O2/c1-2-20(31-24-19(16-28)23(29)33-27(30)34-24)25-32-21-14-9-11-17(10-5-4-8-15-36)22(21)26(37)35(25)18-12-6-3-7-13-18/h3,6-7,9,11-14,20,36H,2,4,8,15H2,1H3,(H5,29,30,31,33,34)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259739 (CHEMBL4092557) Show SMILES Nc1ncnc(N2CCC[C@H]2c2nc3cccc(C#CCCCC(=O)N4CCCC4)c3c(=O)n2-c2ccccc2)c1C#N |r| Show InChI InChI=1S/C33H32N8O2/c34-21-25-30(35)36-22-37-31(25)40-20-10-16-27(40)32-38-26-15-9-12-23(11-3-1-6-17-28(42)39-18-7-8-19-39)29(26)33(43)41(32)24-13-4-2-5-14-24/h2,4-5,9,12-15,22,27H,1,6-8,10,16-20H2,(H2,35,36,37)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259741 (CHEMBL4093653) Show SMILES Cc1nc(N)nc(N2CCC[C@H]2c2nc3cccc(C#CCCCC(=O)N4CCOCC4)c3c(=O)n2-c2ccccc2)c1C#N |r| Show InChI InChI=1S/C34H34N8O3/c1-23-26(22-35)31(39-34(36)37-23)41-17-9-15-28(41)32-38-27-14-8-11-24(30(27)33(44)42(32)25-12-5-3-6-13-25)10-4-2-7-16-29(43)40-18-20-45-21-19-40/h3,5-6,8,11-14,28H,2,7,9,15-21H2,1H3,(H2,36,37,39)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259730 (CHEMBL4080347) Show SMILES Nc1ncnc(N2CCC[C@H]2c2nc3cccc(C#CCCCC(=O)N4CCOCC4)c3c(=O)n2-c2ccccc2)c1C#N |r| Show InChI InChI=1S/C33H32N8O3/c34-21-25-30(35)36-22-37-31(25)40-16-8-14-27(40)32-38-26-13-7-10-23(29(26)33(43)41(32)24-11-4-2-5-12-24)9-3-1-6-15-28(42)39-17-19-44-20-18-39/h2,4-5,7,10-13,22,27H,1,6,8,14-20H2,(H2,35,36,37)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259738 (CHEMBL4064856) Show SMILES Cc1nc(N)nc(N2CC[C@H]2c2nc3cccc(C#CCCCC(=O)N4CCOCC4)c3c(=O)n2-c2ccccc2)c1C#N |r| Show InChI InChI=1S/C33H32N8O3/c1-22-25(21-34)30(38-33(35)36-22)40-16-15-27(40)31-37-26-13-8-10-23(29(26)32(43)41(31)24-11-5-3-6-12-24)9-4-2-7-14-28(42)39-17-19-44-20-18-39/h3,5-6,8,10-13,27H,2,7,14-20H2,1H3,(H2,35,36,38)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259737 (CHEMBL4102744) Show SMILES Cc1nc(N)nc(N2CC[C@H]2c2nc3cccc(C#CCCCC(=O)N4CCCC4)c3c(=O)n2-c2ccccc2)c1C#N |r| Show InChI InChI=1S/C33H32N8O2/c1-22-25(21-34)30(38-33(35)36-22)40-20-17-27(40)31-37-26-15-10-12-23(11-4-2-7-16-28(42)39-18-8-9-19-39)29(26)32(43)41(31)24-13-5-3-6-14-24/h3,5-6,10,12-15,27H,2,7-9,16-20H2,1H3,(H2,35,36,38)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259745 (CHEMBL4084960) Show SMILES Nc1ncnc(N2CCC[C@H]2c2nc3cccc(C#Cc4cccs4)c3c(=O)n2-c2ccccc2)c1C#N |r| Show InChI InChI=1S/C29H21N7OS/c30-17-22-26(31)32-18-33-27(22)35-15-5-12-24(35)28-34-23-11-4-7-19(13-14-21-10-6-16-38-21)25(23)29(37)36(28)20-8-2-1-3-9-20/h1-4,6-11,16,18,24H,5,12,15H2,(H2,31,32,33)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259749 (CHEMBL4080494) Show SMILES CC(C)(C)N1CCN(CC#Cc2cccc3nc([C@@H]4CCCN4c4ncnc(N)c4C#N)n(-c4ccccc4)c(=O)c23)CC1 |r| Show InChI InChI=1S/C34H37N9O/c1-34(2,3)41-20-18-40(19-21-41)16-8-11-24-10-7-14-27-29(24)33(44)43(25-12-5-4-6-13-25)32(39-27)28-15-9-17-42(28)31-26(22-35)30(36)37-23-38-31/h4-7,10,12-14,23,28H,9,15-21H2,1-3H3,(H2,36,37,38)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50259731 (CHEMBL4075540) Show SMILES COCCOCCNC(=O)CCCC#Cc1cccc2nc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc34)n(Cc3ccccc3Cl)c(=O)c12 Show InChI InChI=1S/C38H37ClN8O5/c1-51-19-20-52-18-17-41-32(49)16-4-2-3-9-25-11-8-15-30-33(25)38(50)46(22-27-10-5-6-14-29(27)39)31(44-30)23-47-37-34(36(40)42-24-43-37)35(45-47)26-12-7-13-28(48)21-26/h5-8,10-15,21,24,48H,2,4,16-20,22-23H2,1H3,(H,41,49)(H2,40,42,43)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using biotinylated PIP2 as substrate after 2 hrs by TR-FRET assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259757 (CHEMBL4102933) Show SMILES CC(C)(C(O)C=C)N1CCN(CC#Cc2cccc3nc([C@@H]4CCCN4c4ncnc(N)c4C#N)n(-c4ccccc4)c(=O)c23)CC1 |r| Show InChI InChI=1S/C36H39N9O2/c1-4-30(46)36(2,3)43-21-19-42(20-22-43)17-9-12-25-11-8-15-28-31(25)35(47)45(26-13-6-5-7-14-26)34(41-28)29-16-10-18-44(29)33-27(23-37)32(38)39-24-40-33/h4-8,11,13-15,24,29-30,46H,1,10,16-22H2,2-3H3,(H2,38,39,40)/t29-,30?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259755 (CHEMBL4101244) Show SMILES CC(C)(CO)N1CCN(CC#Cc2cccc3nc([C@@H]4CCCN4c4ncnc(N)c4C#N)n(-c4ccccc4)c(=O)c23)CC1 |r| Show InChI InChI=1S/C34H37N9O2/c1-34(2,22-44)41-19-17-40(18-20-41)15-7-10-24-9-6-13-27-29(24)33(45)43(25-11-4-3-5-12-25)32(39-27)28-14-8-16-42(28)31-26(21-35)30(36)37-23-38-31/h3-6,9,11-13,23,28,44H,8,14-20,22H2,1-2H3,(H2,36,37,38)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259751 (CHEMBL4082276) Show SMILES Nc1ncnc(N2CCC[C@H]2c2nc3cccc(C#CC(=O)N4CCOCC4)c3c(=O)n2-c2ccccc2)c1C#N |r| Show InChI InChI=1S/C30H26N8O3/c31-18-22-27(32)33-19-34-28(22)37-13-5-10-24(37)29-35-23-9-4-6-20(11-12-25(39)36-14-16-41-17-15-36)26(23)30(40)38(29)21-7-2-1-3-8-21/h1-4,6-9,19,24H,5,10,13-17H2,(H2,32,33,34)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259764 (CHEMBL4105575) Show SMILES Nc1ncnc(N2CCC[C@H]2c2nc3cccc(C#CCN4CCC(CC4)C4CC(F)C4)c3c(=O)n2-c2ccccc2)c1C#N |r,wD:10.11,(17.77,-40.78,;17.47,-39.27,;16.01,-38.78,;15.71,-37.27,;16.86,-36.25,;18.32,-36.74,;19.48,-35.73,;20.98,-36.06,;21.77,-34.74,;20.75,-33.58,;19.34,-34.19,;18.01,-33.4,;16.66,-34.16,;15.34,-33.37,;14,-34.13,;12.68,-33.35,;12.69,-31.81,;14.04,-31.05,;14.05,-29.51,;14.07,-27.97,;14.09,-26.43,;15.43,-25.68,;16.74,-26.47,;18.08,-25.72,;18.11,-24.18,;16.79,-23.39,;15.43,-24.14,;19.46,-23.42,;20.94,-23.84,;21.35,-22.36,;22.7,-21.61,;19.88,-21.94,;15.36,-31.83,;16.7,-31.08,;16.72,-29.54,;18.02,-31.86,;19.37,-31.11,;20.7,-31.9,;22.04,-31.14,;22.06,-29.6,;20.73,-28.82,;19.38,-29.57,;18.63,-38.25,;20.08,-38.75,;21.54,-39.24,)| Show InChI InChI=1S/C35H35FN8O/c36-26-19-25(20-26)23-13-17-42(18-14-23)15-5-8-24-7-4-11-29-31(24)35(45)44(27-9-2-1-3-10-27)34(41-29)30-12-6-16-43(30)33-28(21-37)32(38)39-22-40-33/h1-4,7,9-11,22-23,25-26,30H,6,12-20H2,(H2,38,39,40)/t25?,26?,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259754 (CHEMBL4097840) Show SMILES CC(F)CN1CCN(CC#Cc2cccc3nc([C@@H]4CCCN4c4ncnc(N)c4C#N)n(-c4ccccc4)c(=O)c23)CC1 |r| Show InChI InChI=1S/C33H34FN9O/c1-23(34)21-41-18-16-40(17-19-41)14-6-9-24-8-5-12-27-29(24)33(44)43(25-10-3-2-4-11-25)32(39-27)28-13-7-15-42(28)31-26(20-35)30(36)37-22-38-31/h2-5,8,10-12,22-23,28H,7,13-19,21H2,1H3,(H2,36,37,38)/t23?,28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma 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	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of recombinant human full length His-tagged PI3Kgamma expressed in insect cells				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50259733 (CHEMBL4073929) Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(C#CCCCC(=O)N3CCOCC3)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C32H33N9O3/c1-2-24(36-29-23(20-33)28(34)38-32(35)39-29)30-37-25-14-9-11-21(27(25)31(43)41(30)22-12-6-4-7-13-22)10-5-3-8-15-26(42)40-16-18-44-19-17-40/h4,6-7,9,11-14,24H,2-3,8,15-19H2,1H3,(H5,34,35,36,38,39)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259758 (CHEMBL4100702) Show SMILES CC[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(C#CCCCC(=O)N3CCOCC3)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C32H32N8O3/c1-2-25(37-30-24(20-33)29(34)35-21-36-30)31-38-26-14-9-11-22(28(26)32(42)40(31)23-12-6-4-7-13-23)10-5-3-8-15-27(41)39-16-18-43-19-17-39/h4,6-7,9,11-14,21,25H,2-3,8,15-19H2,1H3,(H3,34,35,36,37)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259750 (CHEMBL4069844) Show SMILES CC(C)(C)N1CCN(CC1)C(=O)C#Cc1cccc2nc([C@@H]3CCCN3c3ncnc(N)c3C#N)n(-c3ccccc3)c(=O)c12 |r| Show InChI InChI=1S/C34H35N9O2/c1-34(2,3)41-19-17-40(18-20-41)28(44)15-14-23-9-7-12-26-29(23)33(45)43(24-10-5-4-6-11-24)32(39-26)27-13-8-16-42(27)31-25(21-35)30(36)37-22-38-31/h4-7,9-12,22,27H,8,13,16-20H2,1-3H3,(H2,36,37,38)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259748 (CHEMBL4104722) Show SMILES Nc1ncnc(N2CCC[C@H]2c2nc3cccc(C#CCN4CCOCC4)c3c(=O)n2-c2ccccc2)c1C#N |r| Show InChI InChI=1S/C30H28N8O2/c31-19-23-27(32)33-20-34-28(23)37-14-6-12-25(37)29-35-24-11-4-7-21(8-5-13-36-15-17-40-18-16-36)26(24)30(39)38(29)22-9-2-1-3-10-22/h1-4,7,9-11,20,25H,6,12-18H2,(H2,32,33,34)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259753 (CHEMBL4087697) Show SMILES Nc1ncnc(N2CCC[C@H]2c2nc3cccc(C#CCN4CCN(CC5CC5)CC4)c3c(=O)n2-c2ccccc2)c1C#N |r| Show InChI InChI=1S/C34H35N9O/c35-21-27-31(36)37-23-38-32(27)42-16-6-12-29(42)33-39-28-11-4-7-25(30(28)34(44)43(33)26-9-2-1-3-10-26)8-5-15-40-17-19-41(20-18-40)22-24-13-14-24/h1-4,7,9-11,23-24,29H,6,12-20,22H2,(H2,36,37,38)/t29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259735 (CHEMBL4065896) Show SMILES CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(C#CCCCC(=O)N3CCOCC3)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C32H32N8O3/c1-2-24(37-30-28-29(34-20-33-28)35-21-36-30)31-38-25-14-9-11-22(27(25)32(42)40(31)23-12-6-4-7-13-23)10-5-3-8-15-26(41)39-16-18-43-19-17-39/h4,6-7,9,11-14,20-21,24H,2-3,8,15-19H2,1H3,(H2,33,34,35,36,37)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259732 (CHEMBL4088632) Show SMILES CC[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(C#CCCCC(=O)N3CCCC3)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C32H32N8O2/c1-2-25(37-30-24(20-33)29(34)35-21-36-30)31-38-26-16-11-13-22(12-5-3-8-17-27(41)39-18-9-10-19-39)28(26)32(42)40(31)23-14-6-4-7-15-23/h4,6-7,11,13-16,21,25H,2-3,8-10,17-19H2,1H3,(H3,34,35,36,37)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50259729 (CHEMBL4060396) Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(C#CCCCC(=O)N3CCCC3)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C32H33N9O2/c1-2-24(36-29-23(20-33)28(34)38-32(35)39-29)30-37-25-16-11-13-21(12-5-3-8-17-26(42)40-18-9-10-19-40)27(25)31(43)41(30)22-14-6-4-7-15-22/h4,6-7,11,13-16,24H,2-3,8-10,17-19H2,1H3,(H5,34,35,36,38,39)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50259740 (CHEMBL4098370) Show SMILES Cc1nc(N)nc(N2CCC[C@H]2c2nc3cccc(C#CCCCC(=O)N4CCCC4)c3c(=O)n2-c2ccccc2)c1C#N |r| Show InChI InChI=1S/C34H34N8O2/c1-23-26(22-35)31(39-34(36)37-23)41-21-11-17-28(41)32-38-27-16-10-13-24(12-4-2-7-18-29(43)40-19-8-9-20-40)30(27)33(44)42(32)25-14-5-3-6-15-25/h3,5-6,10,13-16,28H,2,7-9,11,17-21H2,1H3,(H2,36,37,39)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259763 (CHEMBL4090122) Show SMILES [H][C@]12CN(CC#Cc3cccc4nc([C@@H]5CCCN5c5ncnc(N)c5C#N)n(-c5ccccc5)c(=O)c34)[C@]([H])(CN1)C2 |r| Show InChI InChI=1S/C31H29N9O/c32-16-24-28(33)35-19-36-29(24)39-14-6-12-26(39)30-37-25-11-4-7-20(8-5-13-38-18-21-15-23(38)17-34-21)27(25)31(41)40(30)22-9-2-1-3-10-22/h1-4,7,9-11,19,21,23,26,34H,6,12-15,17-18H2,(H2,33,35,36)/t21-,23-,26-/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	135	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259752 (CHEMBL4060367) Show SMILES Nc1ncnc(N2CCC[C@H]2c2nc3cccc(C#CCN4CCC(CC4)C4CC(F)(F)C4)c3c(=O)n2-c2ccccc2)c1C#N |r| Show InChI InChI=1S/C35H34F2N8O/c36-35(37)19-25(20-35)23-13-17-43(18-14-23)15-5-8-24-7-4-11-28-30(24)34(46)45(26-9-2-1-3-10-26)33(42-28)29-12-6-16-44(29)32-27(21-38)31(39)40-22-41-32/h1-4,7,9-11,22-23,25,29H,6,12-20H2,(H2,39,40,41)/t29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259765 (CHEMBL4079811) Show SMILES CC(C)(F)CN1CCN(CC#Cc2cccc3nc([C@@H]4CCCN4c4ncnc(N)c4C#N)n(-c4ccccc4)c(=O)c23)CC1 |r| Show InChI InChI=1S/C34H36FN9O/c1-34(2,35)22-42-19-17-41(18-20-42)15-7-10-24-9-6-13-27-29(24)33(45)44(25-11-4-3-5-12-25)32(40-27)28-14-8-16-43(28)31-26(21-36)30(37)38-23-39-31/h3-6,9,11-13,23,28H,8,14-20,22H2,1-2H3,(H2,37,38,39)/t28-/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	170	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259756 (CHEMBL4083244) Show SMILES CC(COC(F)F)N1CCN(CC#Cc2cccc3nc([C@@H]4CCCN4c4ncnc(N)c4C#N)n(-c4ccccc4)c(=O)c23)CC1 |r| Show InChI InChI=1S/C34H35F2N9O2/c1-23(21-47-34(35)36)43-18-16-42(17-19-43)14-6-9-24-8-5-12-27-29(24)33(46)45(25-10-3-2-4-11-25)32(41-27)28-13-7-15-44(28)31-26(20-37)30(38)39-22-40-31/h2-5,8,10-12,22-23,28,34H,7,13-19,21H2,1H3,(H2,38,39,40)/t23?,28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	188	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma 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	Article PubMed	n/a	n/a	241	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50259730 (CHEMBL4080347) Show SMILES Nc1ncnc(N2CCC[C@H]2c2nc3cccc(C#CCCCC(=O)N4CCOCC4)c3c(=O)n2-c2ccccc2)c1C#N |r| Show InChI InChI=1S/C33H32N8O3/c34-21-25-30(35)36-22-37-31(25)40-16-8-14-27(40)32-38-26-13-7-10-23(29(26)33(43)41(32)24-11-4-2-5-12-24)9-3-1-6-15-28(42)39-17-19-44-20-18-39/h2,4-5,7,10-13,22,27H,1,6,8,14-20H2,(H2,35,36,37)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	291	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259762 (CHEMBL4071934) Show SMILES CCOC(=O)c1cnc(s1)C#Cc1cccc2nc([C@@H]3CCCN3c3ncnc(N)c3C#N)n(-c3ccccc3)c(=O)c12 |r| Show InChI InChI=1S/C31H24N8O3S/c1-2-42-31(41)24-17-34-25(43-24)14-13-19-8-6-11-22-26(19)30(40)39(20-9-4-3-5-10-20)29(37-22)23-12-7-15-38(23)28-21(16-32)27(33)35-18-36-28/h3-6,8-11,17-18,23H,2,7,12,15H2,1H3,(H2,33,35,36)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>300	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259742 (CHEMBL4066080) Show SMILES Nc1nc(N)nc(n1)N1CCC[C@H]1c1nc2cccc(C#CCCCC(=O)N3CCOCC3)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C31H33N9O3/c32-29-35-30(33)37-31(36-29)39-16-8-14-24(39)27-34-23-13-7-10-21(26(23)28(42)40(27)22-11-4-2-5-12-22)9-3-1-6-15-25(41)38-17-19-43-20-18-38/h2,4-5,7,10-13,24H,1,6,8,14-20H2,(H4,32,33,35,36,37)/t24-/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	>300	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259743 (CHEMBL4101380) Show SMILES Nc1ncnc(N2CCC[C@H]2c2nc3cccc(C#Cc4cccc(F)c4)c3c(=O)n2-c2ccccc2)c1C#N |r| Show InChI InChI=1S/C31H22FN7O/c32-22-9-4-7-20(17-22)14-15-21-8-5-12-25-27(21)31(40)39(23-10-2-1-3-11-23)30(37-25)26-13-6-16-38(26)29-24(18-33)28(34)35-19-36-29/h1-5,7-12,17,19,26H,6,13,16H2,(H2,34,35,36)/t26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>300	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259744 (CHEMBL4063308) Show SMILES Nc1ncnc(N2CCC[C@H]2c2nc3cccc(C#Cc4ccccn4)c3c(=O)n2-c2ccccc2)c1C#N |r| Show InChI InChI=1S/C30H22N8O/c31-18-23-27(32)34-19-35-28(23)37-17-7-13-25(37)29-36-24-12-6-8-20(14-15-21-9-4-5-16-33-21)26(24)30(39)38(29)22-10-2-1-3-11-22/h1-6,8-12,16,19,25H,7,13,17H2,(H2,32,34,35)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>300	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259747 (CHEMBL4092712) Show SMILES CC(C)N1CCN(Cc2cnc(s2)C#Cc2cccc3nc([C@@H]4CCCN4c4ncnc(N)c4C#N)n(-c4ccccc4)c(=O)c23)CC1 |r| Show InChI InChI=1S/C36H36N10OS/c1-24(2)44-18-16-43(17-19-44)22-27-21-39-31(48-27)14-13-25-8-6-11-29-32(25)36(47)46(26-9-4-3-5-10-26)35(42-29)30-12-7-15-45(30)34-28(20-37)33(38)40-23-41-34/h3-6,8-11,21,23-24,30H,7,12,15-19,22H2,1-2H3,(H2,38,40,41)/t30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>300	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259761 (CHEMBL4074688) Show SMILES Nc1ncnc(N2CCC[C@H]2c2nc3cccc(C#Cc4cccnc4)c3c(=O)n2-c2ccccc2)c1C#N |r| Show InChI InChI=1S/C30H22N8O/c31-17-23-27(32)34-19-35-28(23)37-16-6-12-25(37)29-36-24-11-4-8-21(14-13-20-7-5-15-33-18-20)26(24)30(39)38(29)22-9-2-1-3-10-22/h1-5,7-11,15,18-19,25H,6,12,16H2,(H2,32,34,35)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>300	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259736 (CHEMBL4074526) Show SMILES Nc1ncnc(N2CC[C@H]2c2nc3cccc(C#CCCCC(=O)N4CCCC4)c3c(=O)n2-c2ccccc2)c1C#N |r| Show InChI InChI=1S/C32H30N8O2/c33-20-24-29(34)35-21-36-30(24)39-19-16-26(39)31-37-25-14-9-11-22(10-3-1-6-15-27(41)38-17-7-8-18-38)28(25)32(42)40(31)23-12-4-2-5-13-23/h2,4-5,9,11-14,21,26H,1,6-8,15-19H2,(H2,34,35,36)/t26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50259733 (CHEMBL4073929) Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(C#CCCCC(=O)N3CCOCC3)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C32H33N9O3/c1-2-24(36-29-23(20-33)28(34)38-32(35)39-29)30-37-25-14-9-11-21(27(25)31(43)41(30)22-12-6-4-7-13-22)10-5-3-8-15-26(42)40-16-18-44-19-17-40/h4,6-7,9,11-14,24H,2-3,8,15-19H2,1H3,(H5,34,35,36,38,39)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	509	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50259729 (CHEMBL4060396) Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(C#CCCCC(=O)N3CCCC3)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C32H33N9O2/c1-2-24(36-29-23(20-33)28(34)38-32(35)39-29)30-37-25-16-11-13-21(12-5-3-8-17-26(42)40-18-9-10-19-40)27(25)31(43)41(30)22-14-6-4-7-15-22/h4,6-7,11,13-16,24H,2-3,8-10,17-19H2,1H3,(H5,34,35,36,38,39)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta 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	Article PubMed	n/a	n/a	565	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of recombinant human full length His-tagged PI3Kbeta expressed in insect cells				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50259733 (CHEMBL4073929) Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(C#CCCCC(=O)N3CCOCC3)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C32H33N9O3/c1-2-24(36-29-23(20-33)28(34)38-32(35)39-29)30-37-25-14-9-11-21(27(25)31(43)41(30)22-12-6-4-7-13-22)10-5-3-8-15-26(42)40-16-18-44-19-17-40/h4,6-7,9,11-14,24H,2-3,8,15-19H2,1H3,(H5,34,35,36,38,39)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	591	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using biotinylated PIP2 as substrate after 2 hrs by TR-FRET assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50259760 (CHEMBL4084802) Show SMILES Cc1ncnc(N2CC[C@H]2c2nc3cccc(C#CCCCC(=O)N4CCOCC4)c3c(=O)n2-c2ccccc2)c1C#N |r| Show InChI InChI=1S/C33H31N7O3/c1-23-26(21-34)31(36-22-35-23)39-16-15-28(39)32-37-27-13-8-10-24(30(27)33(42)40(32)25-11-5-3-6-12-25)9-4-2-7-14-29(41)38-17-19-43-20-18-38/h3,5-6,8,10-13,22,28H,2,7,14-20H2,1H3/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50259729 (CHEMBL4060396) Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(C#CCCCC(=O)N3CCCC3)c2c(=O)n1-c1ccccc1 |r| Show InChI InChI=1S/C32H33N9O2/c1-2-24(36-29-23(20-33)28(34)38-32(35)39-29)30-37-25-16-11-13-21(12-5-3-8-17-26(42)40-18-9-10-19-40)27(25)31(43)41(30)22-14-6-4-7-15-22/h4,6-7,11,13-16,24H,2-3,8-10,17-19H2,1H3,(H5,34,35,36,38,39)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	624	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using biotinylated PIP2 as substrate after 2 hrs by TR-FRET assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta 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	Article PubMed	n/a	n/a	669	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 60 total )  |  Next  |  Last  >>

Jump to: