Compile Data Set for Download or QSAR

Found 94 hits with Last Name = 'ghosal' and Initial = 's'   

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 beta isoform (Homo sapiens (Human))	BDBM50395803 (CHEMBL2165175) Show SMILES Cc1cc(ccn1)-c1cc(=O)[nH]c(NCc2cccc3ccccc23)n1 Show InChI InChI=1S/C21H18N4O/c1-14-11-16(9-10-22-14)19-12-20(26)25-21(24-19)23-13-17-7-4-6-15-5-2-3-8-18(15)17/h2-12H,13H2,1H3,(H2,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...				Bioorg Med Chem Lett 22: 6671-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.102 BindingDB Entry DOI: 10.7270/Q2445NKM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50395821 (CHEMBL2165191) Show SMILES C[C@@H](Nc1ccccc1C(O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 |r| Show InChI InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...				Bioorg Med Chem Lett 22: 6671-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.102 BindingDB Entry DOI: 10.7270/Q2445NKM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50395820 (CHEMBL2165192) Show SMILES CC1CN(CCO1)c1cc(=O)[nH]c(NCc2cccc3ccccc23)n1 Show InChI InChI=1S/C20H22N4O2/c1-14-13-24(9-10-26-14)18-11-19(25)23-20(22-18)21-12-16-7-4-6-15-5-2-3-8-17(15)16/h2-8,11,14H,9-10,12-13H2,1H3,(H2,21,22,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...				Bioorg Med Chem Lett 22: 6671-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.102 BindingDB Entry DOI: 10.7270/Q2445NKM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50395802 (CHEMBL2165189) Show SMILES C[C@H]1CN(CCO1)c1cc([nH]c(=O)n1)N(CCO)Cc1cccc2ccccc12 |r| Show InChI InChI=1S/C22H26N4O3/c1-16-14-26(10-12-29-16)21-13-20(23-22(28)24-21)25(9-11-27)15-18-7-4-6-17-5-2-3-8-19(17)18/h2-8,13,16,27H,9-12,14-15H2,1H3,(H,23,24,28)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...				Bioorg Med Chem Lett 22: 6671-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.102 BindingDB Entry DOI: 10.7270/Q2445NKM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50365890 (CHEMBL1957875) Show SMILES C[C@@H](Nc1ccccc1)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 |r| Show InChI InChI=1S/C21H24N4O2/c1-15-12-18(16(2)22-17-6-4-3-5-7-17)21-23-19(13-20(26)25(21)14-15)24-8-10-27-11-9-24/h3-7,12-14,16,22H,8-11H2,1-2H3/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus using DiC8-PI(4,5)P2 as substrate after 20 mins by AlphaScreen ass...				Bioorg Med Chem Lett 22: 6665-70 (2012) Article DOI: 10.1016/j.bmcl.2012.08.101 BindingDB Entry DOI: 10.7270/Q27H1KPB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50393999 (CHEMBL2158437) Show SMILES Clc1cccc(CNc2nc(cc(=O)[nH]2)N2CCOCC2)c1Cl Show InChI InChI=1S/C15H16Cl2N4O2/c16-11-3-1-2-10(14(11)17)9-18-15-19-12(8-13(22)20-15)21-4-6-23-7-5-21/h1-3,8H,4-7,9H2,(H2,18,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus using DiC8-PI(4,5)P2 as substrate after 20 mins by AlphaScreen ass...				Bioorg Med Chem Lett 22: 6665-70 (2012) Article DOI: 10.1016/j.bmcl.2012.08.101 BindingDB Entry DOI: 10.7270/Q27H1KPB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50395813 (CHEMBL2165180) Show SMILES OCCN(Cc1cccc2ccccc12)c1cc(nc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C21H24N4O3/c26-11-8-25(15-17-6-3-5-16-4-1-2-7-18(16)17)20-14-19(22-21(27)23-20)24-9-12-28-13-10-24/h1-7,14,26H,8-13,15H2,(H,22,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...				Bioorg Med Chem Lett 22: 6671-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.102 BindingDB Entry DOI: 10.7270/Q2445NKM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50393984 (CHEMBL2158436) Show SMILES O=c1cc(nc(NCc2cccc3ccccc23)[nH]1)N1CCOCC1 Show InChI InChI=1S/C19H20N4O2/c24-18-12-17(23-8-10-25-11-9-23)21-19(22-18)20-13-15-6-3-5-14-4-1-2-7-16(14)15/h1-7,12H,8-11,13H2,(H2,20,21,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus using DiC8-PI(4,5)P2 as substrate after 20 mins by AlphaScreen ass...				Bioorg Med Chem Lett 22: 6665-70 (2012) Article DOI: 10.1016/j.bmcl.2012.08.101 BindingDB Entry DOI: 10.7270/Q27H1KPB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50395812 (CHEMBL2165181) Show SMILES OCCCN(Cc1cccc2ccccc12)c1cc(nc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C22H26N4O3/c27-12-4-9-26(16-18-7-3-6-17-5-1-2-8-19(17)18)21-15-20(23-22(28)24-21)25-10-13-29-14-11-25/h1-3,5-8,15,27H,4,9-14,16H2,(H,23,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...				Bioorg Med Chem Lett 22: 6671-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.102 BindingDB Entry DOI: 10.7270/Q2445NKM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50395815 (CHEMBL2165178) Show SMILES CCN(Cc1cccc2ccccc12)c1cc(nc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C21H24N4O2/c1-2-24(15-17-8-5-7-16-6-3-4-9-18(16)17)19-14-20(23-21(26)22-19)25-10-12-27-13-11-25/h3-9,14H,2,10-13,15H2,1H3,(H,22,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...				Bioorg Med Chem Lett 22: 6671-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.102 BindingDB Entry DOI: 10.7270/Q2445NKM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50393984 (CHEMBL2158436) Show SMILES O=c1cc(nc(NCc2cccc3ccccc23)[nH]1)N1CCOCC1 Show InChI InChI=1S/C19H20N4O2/c24-18-12-17(23-8-10-25-11-9-23)21-19(22-18)20-13-15-6-3-5-14-4-1-2-7-16(14)15/h1-7,12H,8-11,13H2,(H2,20,21,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3K p110delta				Bioorg Med Chem Lett 22: 6665-70 (2012) Article DOI: 10.1016/j.bmcl.2012.08.101 BindingDB Entry DOI: 10.7270/Q27H1KPB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50395810 (CHEMBL2165183) Show SMILES CC(O)CN(Cc1cccc2ccccc12)c1cc(nc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C22H26N4O3/c1-16(27)14-26(15-18-7-4-6-17-5-2-3-8-19(17)18)21-13-20(23-22(28)24-21)25-9-11-29-12-10-25/h2-8,13,16,27H,9-12,14-15H2,1H3,(H,23,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...				Bioorg Med Chem Lett 22: 6671-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.102 BindingDB Entry DOI: 10.7270/Q2445NKM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50395802 (CHEMBL2165189) Show SMILES C[C@H]1CN(CCO1)c1cc([nH]c(=O)n1)N(CCO)Cc1cccc2ccccc12 |r| Show InChI InChI=1S/C22H26N4O3/c1-16-14-26(10-12-29-16)21-13-20(23-22(28)24-21)25(9-11-27)15-18-7-4-6-17-5-2-3-8-19(17)18/h2-8,13,16,27H,9-12,14-15H2,1H3,(H,23,24,28)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	168	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110delta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by...				Bioorg Med Chem Lett 22: 6671-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.102 BindingDB Entry DOI: 10.7270/Q2445NKM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50395802 (CHEMBL2165189) Show SMILES C[C@H]1CN(CCO1)c1cc([nH]c(=O)n1)N(CCO)Cc1cccc2ccccc12 |r| Show InChI InChI=1S/C22H26N4O3/c1-16-14-26(10-12-29-16)21-13-20(23-22(28)24-21)25(9-11-27)15-18-7-4-6-17-5-2-3-8-19(17)18/h2-8,13,16,27H,9-12,14-15H2,1H3,(H,23,24,28)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human PI3K p110beta-mediated AKT phosphorylation at Ser473 in MDA-MB-468 cells after 2 hrs by fluorescence microplate cytometric analys...				Bioorg Med Chem Lett 22: 6671-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.102 BindingDB Entry DOI: 10.7270/Q2445NKM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50395811 (CHEMBL2165182) Show SMILES OCCCCN(Cc1cccc2ccccc12)c1cc(nc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C23H28N4O3/c28-13-4-3-10-27(17-19-8-5-7-18-6-1-2-9-20(18)19)22-16-21(24-23(29)25-22)26-11-14-30-15-12-26/h1-2,5-9,16,28H,3-4,10-15,17H2,(H,24,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...				Bioorg Med Chem Lett 22: 6671-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.102 BindingDB Entry DOI: 10.7270/Q2445NKM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50395809 (CHEMBL2165184) Show SMILES CCC(O)CN(Cc1cccc2ccccc12)c1cc(nc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C23H28N4O3/c1-2-19(28)16-27(15-18-8-5-7-17-6-3-4-9-20(17)18)22-14-21(24-23(29)25-22)26-10-12-30-13-11-26/h3-9,14,19,28H,2,10-13,15-16H2,1H3,(H,24,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...				Bioorg Med Chem Lett 22: 6671-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.102 BindingDB Entry DOI: 10.7270/Q2445NKM
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50395803 (CHEMBL2165175) Show SMILES Cc1cc(ccn1)-c1cc(=O)[nH]c(NCc2cccc3ccccc23)n1 Show InChI InChI=1S/C21H18N4O/c1-14-11-16(9-10-22-14)19-12-20(26)25-21(24-19)23-13-17-7-4-6-15-5-2-3-8-18(15)17/h2-12H,13H2,1H3,(H2,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 22: 6671-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.102 BindingDB Entry DOI: 10.7270/Q2445NKM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50393996 (CHEMBL2158438) Show SMILES Clc1cccc(CNc2nc(cc(=O)[nH]2)N2CCOCC2)c1 Show InChI InChI=1S/C15H17ClN4O2/c16-12-3-1-2-11(8-12)10-17-15-18-13(9-14(21)19-15)20-4-6-22-7-5-20/h1-3,8-9H,4-7,10H2,(H2,17,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus using DiC8-PI(4,5)P2 as substrate after 20 mins by AlphaScreen ass...				Bioorg Med Chem Lett 22: 6665-70 (2012) Article DOI: 10.1016/j.bmcl.2012.08.101 BindingDB Entry DOI: 10.7270/Q27H1KPB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50393997 (CHEMBL2158439) Show SMILES Clc1ccccc1CNc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C15H17ClN4O2/c16-12-4-2-1-3-11(12)10-17-15-18-13(9-14(21)19-15)20-5-7-22-8-6-20/h1-4,9H,5-8,10H2,(H2,17,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus using DiC8-PI(4,5)P2 as substrate after 20 mins by AlphaScreen ass...				Bioorg Med Chem Lett 22: 6665-70 (2012) Article DOI: 10.1016/j.bmcl.2012.08.101 BindingDB Entry DOI: 10.7270/Q27H1KPB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50395816 (CHEMBL2165177) Show SMILES CN(Cc1cccc2ccccc12)c1cc(nc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C20H22N4O2/c1-23(14-16-7-4-6-15-5-2-3-8-17(15)16)18-13-19(22-20(25)21-18)24-9-11-26-12-10-24/h2-8,13H,9-12,14H2,1H3,(H,21,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...				Bioorg Med Chem Lett 22: 6671-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.102 BindingDB Entry DOI: 10.7270/Q2445NKM
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50395803 (CHEMBL2165175) Show SMILES Cc1cc(ccn1)-c1cc(=O)[nH]c(NCc2cccc3ccccc23)n1 Show InChI InChI=1S/C21H18N4O/c1-14-11-16(9-10-22-14)19-12-20(26)25-21(24-19)23-13-17-7-4-6-15-5-2-3-8-18(15)17/h2-12H,13H2,1H3,(H2,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 22: 6671-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.102 BindingDB Entry DOI: 10.7270/Q2445NKM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50395803 (CHEMBL2165175) Show SMILES Cc1cc(ccn1)-c1cc(=O)[nH]c(NCc2cccc3ccccc23)n1 Show InChI InChI=1S/C21H18N4O/c1-14-11-16(9-10-22-14)19-12-20(26)25-21(24-19)23-13-17-7-4-6-15-5-2-3-8-18(15)17/h2-12H,13H2,1H3,(H2,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110alpha expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by...				Bioorg Med Chem Lett 22: 6671-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.102 BindingDB Entry DOI: 10.7270/Q2445NKM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50395821 (CHEMBL2165191) Show SMILES C[C@@H](Nc1ccccc1C(O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 |r| Show InChI InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110alpha expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by...				Bioorg Med Chem Lett 22: 6671-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.102 BindingDB Entry DOI: 10.7270/Q2445NKM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50395814 (CHEMBL2165179) Show SMILES O=c1nc(cc([nH]1)N(Cc1cccc2ccccc12)C1CC1)N1CCOCC1 Show InChI InChI=1S/C22H24N4O2/c27-22-23-20(25-10-12-28-13-11-25)14-21(24-22)26(18-8-9-18)15-17-6-3-5-16-4-1-2-7-19(16)17/h1-7,14,18H,8-13,15H2,(H,23,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...				Bioorg Med Chem Lett 22: 6671-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.102 BindingDB Entry DOI: 10.7270/Q2445NKM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50395808 (CHEMBL2165185) Show SMILES OC(CN(Cc1cccc2ccccc12)c1cc(nc(=O)[nH]1)N1CCOCC1)C(F)(F)F Show InChI InChI=1S/C22H23F3N4O3/c23-22(24,25)18(30)14-29(13-16-6-3-5-15-4-1-2-7-17(15)16)20-12-19(26-21(31)27-20)28-8-10-32-11-9-28/h1-7,12,18,30H,8-11,13-14H2,(H,26,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...				Bioorg Med Chem Lett 22: 6671-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.102 BindingDB Entry DOI: 10.7270/Q2445NKM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50395804 (CHEMBL2165190) Show SMILES C[C@@H]1CN(CCO1)c1cc([nH]c(=O)n1)N(CCO)Cc1cccc2ccccc12 |r| Show InChI InChI=1S/C22H26N4O3/c1-16-14-26(10-12-29-16)21-13-20(23-22(28)24-21)25(9-11-27)15-18-7-4-6-17-5-2-3-8-19(17)18/h2-8,13,16,27H,9-12,14-15H2,1H3,(H,23,24,28)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...				Bioorg Med Chem Lett 22: 6671-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.102 BindingDB Entry DOI: 10.7270/Q2445NKM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50395805 (CHEMBL2165188) Show SMILES CN(C)CCCN(Cc1cccc2ccccc12)c1cc(nc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C24H31N5O2/c1-27(2)11-6-12-29(18-20-9-5-8-19-7-3-4-10-21(19)20)23-17-22(25-24(30)26-23)28-13-15-31-16-14-28/h3-5,7-10,17H,6,11-16,18H2,1-2H3,(H,25,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...				Bioorg Med Chem Lett 22: 6671-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.102 BindingDB Entry DOI: 10.7270/Q2445NKM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50395807 (CHEMBL2165186) Show SMILES CC(C)(CO)CN(Cc1cccc2ccccc12)c1cc(nc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C24H30N4O3/c1-24(2,17-29)16-28(15-19-8-5-7-18-6-3-4-9-20(18)19)22-14-21(25-23(30)26-22)27-10-12-31-13-11-27/h3-9,14,29H,10-13,15-17H2,1-2H3,(H,25,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...				Bioorg Med Chem Lett 22: 6671-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.102 BindingDB Entry DOI: 10.7270/Q2445NKM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50393998 (CHEMBL2158440) Show SMILES Clc1ccc(Cl)c(CNc2nc(cc(=O)[nH]2)N2CCOCC2)c1 Show InChI InChI=1S/C15H16Cl2N4O2/c16-11-1-2-12(17)10(7-11)9-18-15-19-13(8-14(22)20-15)21-3-5-23-6-4-21/h1-2,7-8H,3-6,9H2,(H2,18,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus using DiC8-PI(4,5)P2 as substrate after 20 mins by AlphaScreen ass...				Bioorg Med Chem Lett 22: 6665-70 (2012) Article DOI: 10.1016/j.bmcl.2012.08.101 BindingDB Entry DOI: 10.7270/Q27H1KPB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50393989 (CHEMBL2158443) Show SMILES Clc1cccc(CNc2cc(nc(=O)[nH]2)N2CCOCC2)c1Cl Show InChI InChI=1S/C15H16Cl2N4O2/c16-11-3-1-2-10(14(11)17)9-18-12-8-13(20-15(22)19-12)21-4-6-23-7-5-21/h1-3,8H,4-7,9H2,(H2,18,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus using DiC8-PI(4,5)P2 as substrate after 20 mins by AlphaScreen ass...				Bioorg Med Chem Lett 22: 6665-70 (2012) Article DOI: 10.1016/j.bmcl.2012.08.101 BindingDB Entry DOI: 10.7270/Q27H1KPB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50393988 (CHEMBL2158441) Show SMILES Clc1cccc(Cl)c1CNc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C15H16Cl2N4O2/c16-11-2-1-3-12(17)10(11)9-18-15-19-13(8-14(22)20-15)21-4-6-23-7-5-21/h1-3,8H,4-7,9H2,(H2,18,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus using DiC8-PI(4,5)P2 as substrate after 20 mins by AlphaScreen ass...				Bioorg Med Chem Lett 22: 6665-70 (2012) Article DOI: 10.1016/j.bmcl.2012.08.101 BindingDB Entry DOI: 10.7270/Q27H1KPB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50393985 (CHEMBL2158431) Show SMILES N#Cc1nc(NCc2ccccc2)cc(n1)N1CCOCC1 Show InChI InChI=1S/C16H17N5O/c17-11-15-19-14(18-12-13-4-2-1-3-5-13)10-16(20-15)21-6-8-22-9-7-21/h1-5,10H,6-9,12H2,(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus using DiC8-PI(4,5)P2 as substrate after 20 mins by AlphaScreen ass...				Bioorg Med Chem Lett 22: 6665-70 (2012) Article DOI: 10.1016/j.bmcl.2012.08.101 BindingDB Entry DOI: 10.7270/Q27H1KPB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50393986 (CHEMBL2158390) Show SMILES O=c1cc(nc(NCc2ccccc2)[nH]1)N1CCOCC1 Show InChI InChI=1S/C15H18N4O2/c20-14-10-13(19-6-8-21-9-7-19)17-15(18-14)16-11-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H2,16,17,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus using DiC8-PI(4,5)P2 as substrate after 20 mins by AlphaScreen ass...				Bioorg Med Chem Lett 22: 6665-70 (2012) Article DOI: 10.1016/j.bmcl.2012.08.101 BindingDB Entry DOI: 10.7270/Q27H1KPB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50395820 (CHEMBL2165192) Show SMILES CC1CN(CCO1)c1cc(=O)[nH]c(NCc2cccc3ccccc23)n1 Show InChI InChI=1S/C20H22N4O2/c1-14-13-24(9-10-26-14)18-11-19(25)23-20(22-18)21-12-16-7-4-6-15-5-2-3-8-17(15)16/h2-8,11,14H,9-10,12-13H2,1H3,(H2,21,22,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110alpha expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by...				Bioorg Med Chem Lett 22: 6671-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.102 BindingDB Entry DOI: 10.7270/Q2445NKM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50393987 (CHEMBL2158427) Show SMILES NC(=O)c1cc(nc(NCc2ccccc2)n1)N1CCOCC1 Show InChI InChI=1S/C16H19N5O2/c17-15(22)13-10-14(21-6-8-23-9-7-21)20-16(19-13)18-11-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H2,17,22)(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus using DiC8-PI(4,5)P2 as substrate after 20 mins by AlphaScreen ass...				Bioorg Med Chem Lett 22: 6665-70 (2012) Article DOI: 10.1016/j.bmcl.2012.08.101 BindingDB Entry DOI: 10.7270/Q27H1KPB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50393983 (CHEMBL2158442) Show SMILES O=c1nc(cc(NCc2cccc3ccccc23)[nH]1)N1CCOCC1 Show InChI InChI=1S/C19H20N4O2/c24-19-21-17(12-18(22-19)23-8-10-25-11-9-23)20-13-15-6-3-5-14-4-1-2-7-16(14)15/h1-7,12H,8-11,13H2,(H2,20,21,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus using DiC8-PI(4,5)P2 as substrate after 20 mins by AlphaScreen ass...				Bioorg Med Chem Lett 22: 6665-70 (2012) Article DOI: 10.1016/j.bmcl.2012.08.101 BindingDB Entry DOI: 10.7270/Q27H1KPB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50393999 (CHEMBL2158437) Show SMILES Clc1cccc(CNc2nc(cc(=O)[nH]2)N2CCOCC2)c1Cl Show InChI InChI=1S/C15H16Cl2N4O2/c16-11-3-1-2-10(14(11)17)9-18-15-19-12(8-13(22)20-15)21-4-6-23-7-5-21/h1-3,8H,4-7,9H2,(H2,18,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110alpha expressed in baculovirus using DiC8-PI(4,5)P2 as substrate after 20 mins by AlphaScreen as...				Bioorg Med Chem Lett 22: 6665-70 (2012) Article DOI: 10.1016/j.bmcl.2012.08.101 BindingDB Entry DOI: 10.7270/Q27H1KPB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50395806 (CHEMBL2165187) Show SMILES CN(C)CCN(Cc1cccc2ccccc12)c1cc(nc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C23H29N5O2/c1-26(2)10-11-28(17-19-8-5-7-18-6-3-4-9-20(18)19)22-16-21(24-23(29)25-22)27-12-14-30-15-13-27/h3-9,16H,10-15,17H2,1-2H3,(H,24,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...				Bioorg Med Chem Lett 22: 6671-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.102 BindingDB Entry DOI: 10.7270/Q2445NKM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50393988 (CHEMBL2158441) Show SMILES Clc1cccc(Cl)c1CNc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C15H16Cl2N4O2/c16-11-2-1-3-12(17)10(11)9-18-15-19-13(8-14(22)20-15)21-4-6-23-7-5-21/h1-3,8H,4-7,9H2,(H2,18,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110alpha expressed in baculovirus using DiC8-PI(4,5)P2 as substrate after 20 mins by AlphaScreen as...				Bioorg Med Chem Lett 22: 6665-70 (2012) Article DOI: 10.1016/j.bmcl.2012.08.101 BindingDB Entry DOI: 10.7270/Q27H1KPB
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50395802 (CHEMBL2165189) Show SMILES C[C@H]1CN(CCO1)c1cc([nH]c(=O)n1)N(CCO)Cc1cccc2ccccc12 |r| Show InChI InChI=1S/C22H26N4O3/c1-16-14-26(10-12-29-16)21-13-20(23-22(28)24-21)25(9-11-27)15-18-7-4-6-17-5-2-3-8-19(17)18/h2-8,13,16,27H,9-12,14-15H2,1H3,(H,23,24,28)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 22: 6671-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.102 BindingDB Entry DOI: 10.7270/Q2445NKM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50393984 (CHEMBL2158436) Show SMILES O=c1cc(nc(NCc2cccc3ccccc23)[nH]1)N1CCOCC1 Show InChI InChI=1S/C19H20N4O2/c24-18-12-17(23-8-10-25-11-9-23)21-19(22-18)20-13-15-6-3-5-14-4-1-2-7-16(14)15/h1-7,12H,8-11,13H2,(H2,20,21,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110alpha expressed in baculovirus using DiC8-PI(4,5)P2 as substrate after 20 mins by AlphaScreen as...				Bioorg Med Chem Lett 22: 6665-70 (2012) Article DOI: 10.1016/j.bmcl.2012.08.101 BindingDB Entry DOI: 10.7270/Q27H1KPB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50393998 (CHEMBL2158440) Show SMILES Clc1ccc(Cl)c(CNc2nc(cc(=O)[nH]2)N2CCOCC2)c1 Show InChI InChI=1S/C15H16Cl2N4O2/c16-11-1-2-12(17)10(7-11)9-18-15-19-13(8-14(22)20-15)21-3-5-23-6-4-21/h1-2,7-8H,3-6,9H2,(H2,18,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110alpha expressed in baculovirus using DiC8-PI(4,5)P2 as substrate after 20 mins by AlphaScreen as...				Bioorg Med Chem Lett 22: 6665-70 (2012) Article DOI: 10.1016/j.bmcl.2012.08.101 BindingDB Entry DOI: 10.7270/Q27H1KPB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50393997 (CHEMBL2158439) Show SMILES Clc1ccccc1CNc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C15H17ClN4O2/c16-12-4-2-1-3-11(12)10-17-15-18-13(9-14(21)19-15)20-5-7-22-8-6-20/h1-4,9H,5-8,10H2,(H2,17,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110alpha expressed in baculovirus using DiC8-PI(4,5)P2 as substrate after 20 mins by AlphaScreen as...				Bioorg Med Chem Lett 22: 6665-70 (2012) Article DOI: 10.1016/j.bmcl.2012.08.101 BindingDB Entry DOI: 10.7270/Q27H1KPB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50365890 (CHEMBL1957875) Show SMILES C[C@@H](Nc1ccccc1)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 |r| Show InChI InChI=1S/C21H24N4O2/c1-15-12-18(16(2)22-17-6-4-3-5-7-17)21-23-19(13-20(26)25(21)14-15)24-8-10-27-11-9-24/h3-7,12-14,16,22H,8-11H2,1-2H3/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110alpha expressed in baculovirus using DiC8-PI(4,5)P2 as substrate after 20 mins by AlphaScreen as...				Bioorg Med Chem Lett 22: 6665-70 (2012) Article DOI: 10.1016/j.bmcl.2012.08.101 BindingDB Entry DOI: 10.7270/Q27H1KPB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50393996 (CHEMBL2158438) Show SMILES Clc1cccc(CNc2nc(cc(=O)[nH]2)N2CCOCC2)c1 Show InChI InChI=1S/C15H17ClN4O2/c16-12-3-1-2-11(8-12)10-17-15-18-13(9-14(21)19-15)20-4-6-22-7-5-20/h1-3,8-9H,4-7,10H2,(H2,17,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110alpha expressed in baculovirus using DiC8-PI(4,5)P2 as substrate after 20 mins by AlphaScreen as...				Bioorg Med Chem Lett 22: 6665-70 (2012) Article DOI: 10.1016/j.bmcl.2012.08.101 BindingDB Entry DOI: 10.7270/Q27H1KPB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50393982 (CHEMBL2158444) Show SMILES C[C@H](Nc1cc(nc(=O)[nH]1)N1CCOCC1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C20H22N4O2/c1-14(16-8-4-6-15-5-2-3-7-17(15)16)21-18-13-19(23-20(25)22-18)24-9-11-26-12-10-24/h2-8,13-14H,9-12H2,1H3,(H2,21,22,23,25)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus using DiC8-PI(4,5)P2 as substrate after 20 mins by AlphaScreen ass...				Bioorg Med Chem Lett 22: 6665-70 (2012) Article DOI: 10.1016/j.bmcl.2012.08.101 BindingDB Entry DOI: 10.7270/Q27H1KPB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50395817 (CHEMBL2165176) Show SMILES O=c1cc(nc(NCc2cccc3ccccc23)[nH]1)-c1cn[nH]c1 Show InChI InChI=1S/C18H15N5O/c24-17-8-16(14-10-20-21-11-14)22-18(23-17)19-9-13-6-3-5-12-4-1-2-7-15(12)13/h1-8,10-11H,9H2,(H,20,21)(H2,19,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...				Bioorg Med Chem Lett 22: 6671-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.102 BindingDB Entry DOI: 10.7270/Q2445NKM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50393986 (CHEMBL2158390) Show SMILES O=c1cc(nc(NCc2ccccc2)[nH]1)N1CCOCC1 Show InChI InChI=1S/C15H18N4O2/c20-14-10-13(19-6-8-21-9-7-19)17-15(18-14)16-11-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H2,16,17,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110alpha expressed in baculovirus using DiC8-PI(4,5)P2 as substrate after 20 mins by AlphaScreen as...				Bioorg Med Chem Lett 22: 6665-70 (2012) Article DOI: 10.1016/j.bmcl.2012.08.101 BindingDB Entry DOI: 10.7270/Q27H1KPB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50393984 (CHEMBL2158436) Show SMILES O=c1cc(nc(NCc2cccc3ccccc23)[nH]1)N1CCOCC1 Show InChI InChI=1S/C19H20N4O2/c24-18-12-17(23-8-10-25-11-9-23)21-19(22-18)20-13-15-6-3-5-14-4-1-2-7-16(14)15/h1-7,12H,8-11,13H2,(H2,20,21,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3K p110gamma				Bioorg Med Chem Lett 22: 6665-70 (2012) Article DOI: 10.1016/j.bmcl.2012.08.101 BindingDB Entry DOI: 10.7270/Q27H1KPB
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50393981 (CHEMBL2158428) Show SMILES CNC(=O)c1cc(nc(NCc2ccccc2)n1)N1CCOCC1 Show InChI InChI=1S/C17H21N5O2/c1-18-16(23)14-11-15(22-7-9-24-10-8-22)21-17(20-14)19-12-13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3,(H,18,23)(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus using DiC8-PI(4,5)P2 as substrate after 20 mins by AlphaScreen ass...				Bioorg Med Chem Lett 22: 6665-70 (2012) Article DOI: 10.1016/j.bmcl.2012.08.101 BindingDB Entry DOI: 10.7270/Q27H1KPB
					More data for this Ligand-Target Pair

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