Compile Data Set for Download or QSAR

Found 325 hits with Last Name = 'chatreaux' and Initial = 'f'   

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
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM175251 (US9115140, I-123) Show SMILES CCN1CCC(CC1)c1cc(Nc2ncc3sc(C(N)=O)c(-c4ccccc4OC(F)(F)F)c3n2)n(n1)C(C)C |(9.8,6.65,;10.7,5.41,;10.08,4,;8.55,3.84,;7.92,2.43,;8.83,1.19,;10.36,1.35,;10.98,2.75,;8.2,-.22,;6.69,-.54,;6.53,-2.07,;5.2,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,;-.27,-2.55,;-.74,-4.01,;-2.25,-4.33,;-2.73,-5.8,;-1.7,-6.94,;-.19,-6.62,;.29,-5.16,;1.79,-4.84,;2.82,-5.98,;3.85,-7.13,;3.97,-4.95,;1.68,-7.01,;1.2,-2.07,;2.53,-2.84,;7.94,-2.7,;8.97,-1.55,;8.26,-4.21,;7.11,-5.24,;9.72,-4.68,)| Show InChI InChI=1S/C27H30F3N7O2S/c1-4-36-11-9-16(10-12-36)18-13-21(37(35-18)15(2)3)33-26-32-14-20-23(34-26)22(24(40-20)25(31)38)17-7-5-6-8-19(17)39-27(28,29)30/h5-8,13-16H,4,9-12H2,1-3H3,(H2,31,38)(H,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description The reagents used have the following composition: Enzyme buffer (EB): 50 mM HEPES (pH: 7.0) (Sigma H7523), 100 mM NaCl (Sigma S7653), NaN.sub.3 at 0....				US Patent US9115140 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BFX
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM175246 (US9115140, I-26) Show SMILES CC(C)Oc1cc(ccc1Nc1ncc2sc(C(N)=O)c(-c3ccccc3OC(F)(F)F)c2n1)C1CCN(C)CC1 |(5.2,-4.38,;6.53,-5.15,;6.53,-6.69,;7.87,-4.38,;7.87,-2.84,;9.2,-2.07,;9.2,-.53,;7.87,.24,;6.53,-.53,;6.53,-2.07,;5.2,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,;-.27,-2.55,;-.74,-4.01,;-2.25,-4.33,;-2.73,-5.8,;-1.7,-6.94,;-.19,-6.62,;.29,-5.16,;1.79,-4.84,;2.82,-5.98,;3.85,-7.13,;3.97,-4.95,;1.68,-7.01,;1.2,-2.07,;2.53,-2.84,;10.53,.24,;10.53,1.78,;11.87,2.55,;13.2,1.78,;14.53,2.55,;13.2,.24,;11.87,-.53,)| Show InChI InChI=1S/C29H30F3N5O3S/c1-16(2)39-22-14-18(17-10-12-37(3)13-11-17)8-9-20(22)35-28-34-15-23-25(36-28)24(26(41-23)27(33)38)19-6-4-5-7-21(19)40-29(30,31)32/h4-9,14-17H,10-13H2,1-3H3,(H2,33,38)(H,34,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description The reagents used have the following composition: Enzyme buffer (EB): 50 mM HEPES (pH: 7.0) (Sigma H7523), 100 mM NaCl (Sigma S7653), NaN.sub.3 at 0....				US Patent US9115140 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BFX
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor [L1196M] (Homo sapiens (Human))	BDBM175253 (US9115140, I-131) Show SMILES COc1ncccc1-c1c(sc2cnc(Nc3cc(F)c(cc3OC(C)C)C3CCN(C)CC3)nc12)C(N)=O |(2.82,-5.98,;1.79,-4.84,;.29,-5.16,;-.19,-6.62,;-1.7,-6.94,;-2.73,-5.8,;-2.25,-4.33,;-.74,-4.01,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;5.2,-2.84,;6.53,-2.07,;7.87,-2.84,;9.2,-2.07,;10.53,-2.84,;9.2,-.53,;7.87,.24,;6.53,-.53,;5.2,.24,;5.2,1.78,;3.86,2.55,;6.53,2.55,;10.53,.24,;10.53,1.78,;11.87,2.55,;13.2,1.78,;14.53,2.55,;13.2,.24,;11.87,-.53,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,)| Show InChI InChI=1S/C28H31FN6O3S/c1-15(2)38-21-12-18(16-7-10-35(3)11-8-16)19(29)13-20(21)33-28-32-14-22-24(34-28)23(25(39-22)26(30)36)17-6-5-9-31-27(17)37-4/h5-6,9,12-16H,7-8,10-11H2,1-4H3,(H2,30,36)(H,32,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description The reagents used have the following composition: Enzyme buffer (EB): 50 mM HEPES (pH: 7.0) (Sigma H7523), 100 mM NaCl (Sigma S7653), NaN.sub.3 at 0....				US Patent US9115140 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BFX
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor [L1196M] (Homo sapiens (Human))	BDBM175250 (US9115140, I-118) Show SMILES COc1ccccc1-c1c(sc2cnc(Nc3cc(C)c(cc3OC(C)C)N3CCC(C3)N(C)C)nc12)C(N)=O |(2.82,-5.98,;1.79,-4.84,;.29,-5.16,;-.19,-6.62,;-1.7,-6.94,;-2.73,-5.8,;-2.25,-4.33,;-.74,-4.01,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;5.2,-2.84,;5.2,-4.38,;3.86,-5.15,;3.86,-6.69,;2.53,-7.46,;5.2,-7.46,;6.53,-6.69,;6.53,-5.15,;7.87,-4.38,;7.87,-2.84,;6.53,-2.07,;9.2,-2.07,;5.2,-9,;3.95,-9.91,;4.43,-11.37,;5.97,-11.37,;6.44,-9.91,;6.87,-12.62,;8.4,-12.46,;6.25,-14.03,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,)| Show InChI InChI=1S/C30H36N6O3S/c1-17(2)39-24-14-22(36-12-11-19(16-36)35(4)5)18(3)13-21(24)33-30-32-15-25-27(34-30)26(28(40-25)29(31)37)20-9-7-8-10-23(20)38-6/h7-10,13-15,17,19H,11-12,16H2,1-6H3,(H2,31,37)(H,32,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description The reagents used have the following composition: Enzyme buffer (EB): 50 mM HEPES (pH: 7.0) (Sigma H7523), 100 mM NaCl (Sigma S7653), NaN.sub.3 at 0....				US Patent US9115140 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BFX
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM175250 (US9115140, I-118) Show SMILES COc1ccccc1-c1c(sc2cnc(Nc3cc(C)c(cc3OC(C)C)N3CCC(C3)N(C)C)nc12)C(N)=O |(2.82,-5.98,;1.79,-4.84,;.29,-5.16,;-.19,-6.62,;-1.7,-6.94,;-2.73,-5.8,;-2.25,-4.33,;-.74,-4.01,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;5.2,-2.84,;5.2,-4.38,;3.86,-5.15,;3.86,-6.69,;2.53,-7.46,;5.2,-7.46,;6.53,-6.69,;6.53,-5.15,;7.87,-4.38,;7.87,-2.84,;6.53,-2.07,;9.2,-2.07,;5.2,-9,;3.95,-9.91,;4.43,-11.37,;5.97,-11.37,;6.44,-9.91,;6.87,-12.62,;8.4,-12.46,;6.25,-14.03,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,)| Show InChI InChI=1S/C30H36N6O3S/c1-17(2)39-24-14-22(36-12-11-19(16-36)35(4)5)18(3)13-21(24)33-30-32-15-25-27(34-30)26(28(40-25)29(31)37)20-9-7-8-10-23(20)38-6/h7-10,13-15,17,19H,11-12,16H2,1-6H3,(H2,31,37)(H,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description The reagents used have the following composition: Enzyme buffer (EB): 50 mM HEPES (pH: 7.0) (Sigma H7523), 100 mM NaCl (Sigma S7653), NaN.sub.3 at 0....				US Patent US9115140 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BFX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50389047 (CHEMBL2064328) Show SMILES CC(Nc1ccccc1)c1cc(C)cc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C22H24N2O3/c1-15-12-18(16(2)23-17-6-4-3-5-7-17)22-19(13-15)20(25)14-21(27-22)24-8-10-26-11-9-24/h3-7,12-14,16,23H,8-11H2,1-2H3	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research& Development Curated by ChEMBL					Assay Description Inhibition of human PI3Kbeta-mediated Akt phosphorylation at Ser473 residue expressed in PTEN-deficient human PC3 cells by chemiluminescence assay				J Med Chem 55: 4788-805 (2012) Article DOI: 10.1021/jm300241b BindingDB Entry DOI: 10.7270/Q2R78G88
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM175248 (US9115140, I-100) Show SMILES COc1ncccc1-c1c(sc2cnc(Nc3cc(C)c(cc3OC(C)C)N3CCN(C)CC3)nc12)C(N)=O |(2.82,-5.98,;1.79,-4.84,;.29,-5.16,;-.19,-6.62,;-1.7,-6.94,;-2.73,-5.8,;-2.25,-4.33,;-.74,-4.01,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;5.2,-2.84,;5.2,-4.38,;3.86,-5.15,;3.86,-6.69,;2.53,-7.46,;5.2,-7.46,;6.53,-6.69,;6.53,-5.15,;7.87,-4.38,;7.87,-2.84,;6.53,-2.07,;9.2,-2.07,;5.2,-9,;6.53,-9.77,;6.53,-11.31,;5.2,-12.08,;5.2,-13.62,;3.86,-11.31,;3.86,-9.77,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,)| Show InChI InChI=1S/C28H33N7O3S/c1-16(2)38-21-14-20(35-11-9-34(4)10-12-35)17(3)13-19(21)32-28-31-15-22-24(33-28)23(25(39-22)26(29)36)18-7-6-8-30-27(18)37-5/h6-8,13-16H,9-12H2,1-5H3,(H2,29,36)(H,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description The reagents used have the following composition: Enzyme buffer (EB): 50 mM HEPES (pH: 7.0) (Sigma H7523), 100 mM NaCl (Sigma S7653), NaN.sub.3 at 0....				US Patent US9115140 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BFX
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor [L1196M] (Homo sapiens (Human))	BDBM175248 (US9115140, I-100) Show SMILES COc1ncccc1-c1c(sc2cnc(Nc3cc(C)c(cc3OC(C)C)N3CCN(C)CC3)nc12)C(N)=O |(2.82,-5.98,;1.79,-4.84,;.29,-5.16,;-.19,-6.62,;-1.7,-6.94,;-2.73,-5.8,;-2.25,-4.33,;-.74,-4.01,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;5.2,-2.84,;5.2,-4.38,;3.86,-5.15,;3.86,-6.69,;2.53,-7.46,;5.2,-7.46,;6.53,-6.69,;6.53,-5.15,;7.87,-4.38,;7.87,-2.84,;6.53,-2.07,;9.2,-2.07,;5.2,-9,;6.53,-9.77,;6.53,-11.31,;5.2,-12.08,;5.2,-13.62,;3.86,-11.31,;3.86,-9.77,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,)| Show InChI InChI=1S/C28H33N7O3S/c1-16(2)38-21-14-20(35-11-9-34(4)10-12-35)17(3)13-19(21)32-28-31-15-22-24(33-28)23(25(39-22)26(29)36)18-7-6-8-30-27(18)37-5/h6-8,13-16H,9-12H2,1-5H3,(H2,29,36)(H,31,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description The reagents used have the following composition: Enzyme buffer (EB): 50 mM HEPES (pH: 7.0) (Sigma H7523), 100 mM NaCl (Sigma S7653), NaN.sub.3 at 0....				US Patent US9115140 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BFX
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM175253 (US9115140, I-131) Show SMILES COc1ncccc1-c1c(sc2cnc(Nc3cc(F)c(cc3OC(C)C)C3CCN(C)CC3)nc12)C(N)=O |(2.82,-5.98,;1.79,-4.84,;.29,-5.16,;-.19,-6.62,;-1.7,-6.94,;-2.73,-5.8,;-2.25,-4.33,;-.74,-4.01,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;5.2,-2.84,;6.53,-2.07,;7.87,-2.84,;9.2,-2.07,;10.53,-2.84,;9.2,-.53,;7.87,.24,;6.53,-.53,;5.2,.24,;5.2,1.78,;3.86,2.55,;6.53,2.55,;10.53,.24,;10.53,1.78,;11.87,2.55,;13.2,1.78,;14.53,2.55,;13.2,.24,;11.87,-.53,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,)| Show InChI InChI=1S/C28H31FN6O3S/c1-15(2)38-21-12-18(16-7-10-35(3)11-8-16)19(29)13-20(21)33-28-32-14-22-24(34-28)23(25(39-22)26(30)36)17-6-5-9-31-27(17)37-4/h5-6,9,12-16H,7-8,10-11H2,1-4H3,(H2,30,36)(H,32,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description The reagents used have the following composition: Enzyme buffer (EB): 50 mM HEPES (pH: 7.0) (Sigma H7523), 100 mM NaCl (Sigma S7653), NaN.sub.3 at 0....				US Patent US9115140 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BFX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50389047 (CHEMBL2064328) Show SMILES CC(Nc1ccccc1)c1cc(C)cc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C22H24N2O3/c1-15-12-18(16(2)23-17-6-4-3-5-7-17)22-19(13-15)20(25)14-21(27-22)24-8-10-26-11-9-24/h3-7,12-14,16,23H,8-11H2,1-2H3	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research& Development Curated by ChEMBL					Assay Description Inhibition of human PI3Kbeta-mediated Akt phosphorylation at T308 residue expressed in PTEN-deficient human PC3 cells after 2 hrs by Western blot ana...				J Med Chem 55: 4788-805 (2012) Article DOI: 10.1021/jm300241b BindingDB Entry DOI: 10.7270/Q2R78G88
					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	3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research& Development Curated by ChEMBL					Assay Description Inhibition of human PI3Kbeta-mediated Akt phosphorylation at T308 residue expressed in PTEN-deficient human PC3 cells after 2 hrs by Western blot ana...				J Med Chem 55: 4788-805 (2012) Article DOI: 10.1021/jm300241b BindingDB Entry DOI: 10.7270/Q2R78G88
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM175255 (US9115140, I-159) Show SMILES COc1ccccc1-c1c(sc2cnc(Nc3ccc(CN4CCN(C)CC4)cc3OC(C)C)nc12)C(N)=O |(2.82,-5.98,;1.79,-4.84,;.29,-5.16,;-.19,-6.62,;-1.7,-6.94,;-2.73,-5.8,;-2.25,-4.33,;-.74,-4.01,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;5.2,-2.84,;6.53,-2.07,;7.87,-2.84,;9.2,-2.07,;9.2,-.53,;10.53,.24,;11.87,-.53,;13.2,.24,;14.53,-.53,;14.53,-2.07,;15.87,-2.84,;13.2,-2.84,;11.87,-2.07,;7.87,.24,;6.53,-.53,;5.2,.24,;5.2,1.78,;3.86,2.55,;6.53,2.55,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,)| Show InChI InChI=1S/C29H34N6O3S/c1-18(2)38-23-15-19(17-35-13-11-34(3)12-14-35)9-10-21(23)32-29-31-16-24-26(33-29)25(27(39-24)28(30)36)20-7-5-6-8-22(20)37-4/h5-10,15-16,18H,11-14,17H2,1-4H3,(H2,30,36)(H,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description The reagents used have the following composition: Enzyme buffer (EB): 50 mM HEPES (pH: 7.0) (Sigma H7523), 100 mM NaCl (Sigma S7653), NaN.sub.3 at 0....				US Patent US9115140 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BFX
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor [L1196M] (Homo sapiens (Human))	BDBM175251 (US9115140, I-123) Show SMILES CCN1CCC(CC1)c1cc(Nc2ncc3sc(C(N)=O)c(-c4ccccc4OC(F)(F)F)c3n2)n(n1)C(C)C |(9.8,6.65,;10.7,5.41,;10.08,4,;8.55,3.84,;7.92,2.43,;8.83,1.19,;10.36,1.35,;10.98,2.75,;8.2,-.22,;6.69,-.54,;6.53,-2.07,;5.2,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,;-.27,-2.55,;-.74,-4.01,;-2.25,-4.33,;-2.73,-5.8,;-1.7,-6.94,;-.19,-6.62,;.29,-5.16,;1.79,-4.84,;2.82,-5.98,;3.85,-7.13,;3.97,-4.95,;1.68,-7.01,;1.2,-2.07,;2.53,-2.84,;7.94,-2.7,;8.97,-1.55,;8.26,-4.21,;7.11,-5.24,;9.72,-4.68,)| Show InChI InChI=1S/C27H30F3N7O2S/c1-4-36-11-9-16(10-12-36)18-13-21(37(35-18)15(2)3)33-26-32-14-20-23(34-26)22(24(40-20)25(31)38)17-7-5-6-8-19(17)39-27(28,29)30/h5-8,13-16H,4,9-12H2,1-3H3,(H2,31,38)(H,32,33,34)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description The reagents used have the following composition: Enzyme buffer (EB): 50 mM HEPES (pH: 7.0) (Sigma H7523), 100 mM NaCl (Sigma S7653), NaN.sub.3 at 0....				US Patent US9115140 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BFX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50389048 (CHEMBL2064417) Show SMILES Fc1ccc2oc(Cc3nc(cc(=O)[nH]3)N3CCOCC3)nc2c1-c1ccccc1 Show InChI InChI=1S/C22H19FN4O3/c23-15-6-7-16-22(21(15)14-4-2-1-3-5-14)26-20(30-16)12-17-24-18(13-19(28)25-17)27-8-10-29-11-9-27/h1-7,13H,8-12H2,(H,24,25,28)	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	6	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research& Development Curated by ChEMBL					Assay Description Inhibition of human PI3Kbeta-mediated Akt phosphorylation at Ser473 residue expressed in PTEN-deficient human PC3 cells by chemiluminescence assay				J Med Chem 55: 4788-805 (2012) Article DOI: 10.1021/jm300241b BindingDB Entry DOI: 10.7270/Q2R78G88
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM175245 (US9115140, I-16) Show SMILES COc1ccccc1-c1c(sc2cnc(Nc3ccc(cc3OC(C)C)C3CCN(C)CC3)nc12)C(N)=O |(2.82,-5.98,;1.79,-4.84,;.29,-5.16,;-.19,-6.62,;-1.7,-6.94,;-2.73,-5.8,;-2.25,-4.33,;-.74,-4.01,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;5.2,-2.84,;6.53,-2.07,;7.87,-2.84,;9.2,-2.07,;9.2,-.53,;7.87,.24,;6.53,-.53,;5.2,.24,;5.2,1.78,;3.86,2.55,;6.53,2.55,;10.53,.24,;10.53,1.78,;11.87,2.55,;13.2,1.78,;14.53,2.55,;13.2,.24,;11.87,-.53,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,)| Show InChI InChI=1S/C29H33N5O3S/c1-17(2)37-23-15-19(18-11-13-34(3)14-12-18)9-10-21(23)32-29-31-16-24-26(33-29)25(27(38-24)28(30)35)20-7-5-6-8-22(20)36-4/h5-10,15-18H,11-14H2,1-4H3,(H2,30,35)(H,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description The reagents used have the following composition: Enzyme buffer (EB): 50 mM HEPES (pH: 7.0) (Sigma H7523), 100 mM NaCl (Sigma S7653), NaN.sub.3 at 0....				US Patent US9115140 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BFX
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM175247 (US9115140, I-38) Show SMILES COc1ccccc1-c1c(sc2cnc(Nc3cnc(cc3OC(C)C)C3CCN(C)CC3)nc12)C(N)=O |(2.82,-5.98,;1.79,-4.84,;.29,-5.16,;-.19,-6.62,;-1.7,-6.94,;-2.73,-5.8,;-2.25,-4.33,;-.74,-4.01,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;5.2,-2.84,;6.53,-2.07,;7.87,-2.84,;9.2,-2.07,;9.2,-.53,;7.87,.24,;6.53,-.53,;5.2,.24,;5.2,1.78,;3.86,2.55,;6.53,2.55,;10.53,.24,;10.53,1.78,;11.87,2.55,;13.2,1.78,;14.53,2.55,;13.2,.24,;11.87,-.53,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,)| Show InChI InChI=1S/C28H32N6O3S/c1-16(2)37-22-13-19(17-9-11-34(3)12-10-17)30-14-20(22)32-28-31-15-23-25(33-28)24(26(38-23)27(29)35)18-7-5-6-8-21(18)36-4/h5-8,13-17H,9-12H2,1-4H3,(H2,29,35)(H,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description The reagents used have the following composition: Enzyme buffer (EB): 50 mM HEPES (pH: 7.0) (Sigma H7523), 100 mM NaCl (Sigma S7653), NaN.sub.3 at 0....				US Patent US9115140 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BFX
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM175257 (US9115140, I-172) Show SMILES COc1ncc(F)cc1-c1c(sc2cnc(Nc3cc(nn3C(C)C)C3CCOCC3)nc12)C(N)=O |(2.82,-5.98,;1.79,-4.84,;.29,-5.16,;-.19,-6.62,;-1.7,-6.94,;-2.73,-5.8,;-4.23,-6.12,;-2.25,-4.33,;-.74,-4.01,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;5.2,-2.84,;5.2,-4.38,;3.95,-5.29,;4.43,-6.75,;5.97,-6.75,;6.44,-5.29,;7.91,-4.81,;8.23,-3.31,;9.05,-5.84,;3.52,-8,;1.99,-7.84,;1.09,-9.08,;1.71,-10.49,;3.24,-10.65,;4.15,-9.41,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,)| Show InChI InChI=1S/C24H26FN7O3S/c1-12(2)32-18(9-16(31-32)13-4-6-35-7-5-13)29-24-28-11-17-20(30-24)19(21(36-17)22(26)33)15-8-14(25)10-27-23(15)34-3/h8-13H,4-7H2,1-3H3,(H2,26,33)(H,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description The reagents used have the following composition: Enzyme buffer (EB): 50 mM HEPES (pH: 7.0) (Sigma H7523), 100 mM NaCl (Sigma S7653), NaN.sub.3 at 0....				US Patent US9115140 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BFX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50389069 (CHEMBL2064344) Show SMILES O=c1cc(nc(Cc2nc3ccccc3n2-c2ccccc2)[nH]1)N1CCOCC1 Show InChI InChI=1S/C22H21N5O2/c28-22-15-20(26-10-12-29-13-11-26)24-19(25-22)14-21-23-17-8-4-5-9-18(17)27(21)16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H,24,25,28)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research& Development Curated by ChEMBL					Assay Description Inhibition of human PI3Kbeta-mediated Akt phosphorylation at Ser473 residue expressed in PTEN-deficient human PC3 cells by chemiluminescence assay				J Med Chem 55: 4788-805 (2012) Article DOI: 10.1021/jm300241b BindingDB Entry DOI: 10.7270/Q2R78G88
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50389048 (CHEMBL2064417) Show SMILES Fc1ccc2oc(Cc3nc(cc(=O)[nH]3)N3CCOCC3)nc2c1-c1ccccc1 Show InChI InChI=1S/C22H19FN4O3/c23-15-6-7-16-22(21(15)14-4-2-1-3-5-14)26-20(30-16)12-17-24-18(13-19(28)25-17)27-8-10-29-11-9-27/h1-7,13H,8-12H2,(H,24,25,28)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research& Development Curated by ChEMBL					Assay Description Inhibition of N-terminus poly-His tagged human PI3Kbeta expressed in baculovirus infected insect S21 cells coexpressing p85alpha using PI(4,5)P2 as s...				J Med Chem 55: 4788-805 (2012) Article DOI: 10.1021/jm300241b BindingDB Entry DOI: 10.7270/Q2R78G88
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50389072 (CHEMBL2064341) Show SMILES Fc1ccc2n(C3CC3)c(Cc3nc(cc(=O)[nH]3)N3CCOCC3)nc2c1 Show InChI InChI=1S/C19H20FN5O2/c20-12-1-4-15-14(9-12)21-18(25(15)13-2-3-13)10-16-22-17(11-19(26)23-16)24-5-7-27-8-6-24/h1,4,9,11,13H,2-3,5-8,10H2,(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	9	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research& Development Curated by ChEMBL					Assay Description Inhibition of human PI3Kbeta-mediated Akt phosphorylation at Ser473 residue expressed in PTEN-deficient human PC3 cells by chemiluminescence assay				J Med Chem 55: 4788-805 (2012) Article DOI: 10.1021/jm300241b BindingDB Entry DOI: 10.7270/Q2R78G88
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor [L1196M] (Homo sapiens (Human))	BDBM175255 (US9115140, I-159) Show SMILES COc1ccccc1-c1c(sc2cnc(Nc3ccc(CN4CCN(C)CC4)cc3OC(C)C)nc12)C(N)=O |(2.82,-5.98,;1.79,-4.84,;.29,-5.16,;-.19,-6.62,;-1.7,-6.94,;-2.73,-5.8,;-2.25,-4.33,;-.74,-4.01,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;5.2,-2.84,;6.53,-2.07,;7.87,-2.84,;9.2,-2.07,;9.2,-.53,;10.53,.24,;11.87,-.53,;13.2,.24,;14.53,-.53,;14.53,-2.07,;15.87,-2.84,;13.2,-2.84,;11.87,-2.07,;7.87,.24,;6.53,-.53,;5.2,.24,;5.2,1.78,;3.86,2.55,;6.53,2.55,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,)| Show InChI InChI=1S/C29H34N6O3S/c1-18(2)38-23-15-19(17-35-13-11-34(3)12-14-35)9-10-21(23)32-29-31-16-24-26(33-29)25(27(39-24)28(30)36)20-7-5-6-8-22(20)37-4/h5-10,15-16,18H,11-14,17H2,1-4H3,(H2,30,36)(H,31,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description The reagents used have the following composition: Enzyme buffer (EB): 50 mM HEPES (pH: 7.0) (Sigma H7523), 100 mM NaCl (Sigma S7653), NaN.sub.3 at 0....				US Patent US9115140 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BFX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50389067 (CHEMBL2064346) Show SMILES O=c1cc(nc(Cc2nc3c(cccc3[nH]2)-c2ccccc2)[nH]1)N1CCOCC1 Show InChI InChI=1S/C22H21N5O2/c28-21-14-20(27-9-11-29-12-10-27)24-19(25-21)13-18-23-17-8-4-7-16(22(17)26-18)15-5-2-1-3-6-15/h1-8,14H,9-13H2,(H,23,26)(H,24,25,28)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research& Development Curated by ChEMBL					Assay Description Inhibition of N-terminus poly-His tagged human PI3Kbeta expressed in baculovirus infected insect S21 cells coexpressing p85alpha using PI(4,5)P2 as s...				J Med Chem 55: 4788-805 (2012) Article DOI: 10.1021/jm300241b BindingDB Entry DOI: 10.7270/Q2R78G88
					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	10	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research& Development Curated by ChEMBL					Assay Description Inhibition of human PI3Kbeta-mediated Akt phosphorylation at Ser473 residue expressed in PTEN-deficient human PC3 cells by chemiluminescence assay				J Med Chem 55: 4788-805 (2012) Article DOI: 10.1021/jm300241b BindingDB Entry DOI: 10.7270/Q2R78G88
					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	11	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research& Development Curated by ChEMBL					Assay Description Inhibition of human PI3Kbeta-mediated Akt phosphorylation at Ser473 residue expressed in mouse MEF-3T3 cells after 0.5 to 2 hrs by Western blot analy...				J Med Chem 55: 4788-805 (2012) Article DOI: 10.1021/jm300241b BindingDB Entry DOI: 10.7270/Q2R78G88
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM175249 (US9115140, I-115) Show SMILES CC(C)Oc1cc(ccc1Nc1ncc2sc(C(N)=O)c(-c3ccoc3C)c2n1)C1CCN(C)CC1 |(6.53,-2.07,;7.87,-2.84,;9.2,-2.07,;7.87,-4.38,;6.53,-5.15,;6.53,-6.69,;5.2,-7.46,;3.86,-6.69,;3.86,-5.15,;5.2,-4.38,;5.2,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,;-.27,-2.55,;-.74,-4.01,;.16,-5.26,;-.74,-6.51,;-2.21,-6.03,;-2.21,-4.49,;-3.45,-3.58,;1.2,-2.07,;2.53,-2.84,;5.2,-9,;6.53,-9.77,;6.53,-11.31,;5.2,-12.08,;5.2,-13.62,;3.86,-11.31,;3.86,-9.77,)| Show InChI InChI=1S/C27H31N5O3S/c1-15(2)35-21-13-18(17-7-10-32(4)11-8-17)5-6-20(21)30-27-29-14-22-24(31-27)23(25(36-22)26(28)33)19-9-12-34-16(19)3/h5-6,9,12-15,17H,7-8,10-11H2,1-4H3,(H2,28,33)(H,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description The reagents used have the following composition: Enzyme buffer (EB): 50 mM HEPES (pH: 7.0) (Sigma H7523), 100 mM NaCl (Sigma S7653), NaN.sub.3 at 0....				US Patent US9115140 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BFX
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor [L1196M] (Homo sapiens (Human))	BDBM175257 (US9115140, I-172) Show SMILES COc1ncc(F)cc1-c1c(sc2cnc(Nc3cc(nn3C(C)C)C3CCOCC3)nc12)C(N)=O |(2.82,-5.98,;1.79,-4.84,;.29,-5.16,;-.19,-6.62,;-1.7,-6.94,;-2.73,-5.8,;-4.23,-6.12,;-2.25,-4.33,;-.74,-4.01,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;5.2,-2.84,;5.2,-4.38,;3.95,-5.29,;4.43,-6.75,;5.97,-6.75,;6.44,-5.29,;7.91,-4.81,;8.23,-3.31,;9.05,-5.84,;3.52,-8,;1.99,-7.84,;1.09,-9.08,;1.71,-10.49,;3.24,-10.65,;4.15,-9.41,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,)| Show InChI InChI=1S/C24H26FN7O3S/c1-12(2)32-18(9-16(31-32)13-4-6-35-7-5-13)29-24-28-11-17-20(30-24)19(21(36-17)22(26)33)15-8-14(25)10-27-23(15)34-3/h8-13H,4-7H2,1-3H3,(H2,26,33)(H,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description The reagents used have the following composition: Enzyme buffer (EB): 50 mM HEPES (pH: 7.0) (Sigma H7523), 100 mM NaCl (Sigma S7653), NaN.sub.3 at 0....				US Patent US9115140 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BFX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50389054 (CHEMBL2064411) Show SMILES O=c1cc(nc(Cc2nc3c(cccc3o2)-c2ccccc2)[nH]1)N1CCOCC1 Show InChI InChI=1S/C22H20N4O3/c27-20-14-19(26-9-11-28-12-10-26)23-18(24-20)13-21-25-22-16(7-4-8-17(22)29-21)15-5-2-1-3-6-15/h1-8,14H,9-13H2,(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	13	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research& Development Curated by ChEMBL					Assay Description Inhibition of human PI3Kbeta-mediated Akt phosphorylation at Ser473 residue expressed in PTEN-deficient human PC3 cells by chemiluminescence assay				J Med Chem 55: 4788-805 (2012) Article DOI: 10.1021/jm300241b BindingDB Entry DOI: 10.7270/Q2R78G88
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor [L1196M] (Homo sapiens (Human))	BDBM60576 (US9115140, I-191) Show SMILES COc1nc(C)ccc1-c1c(CO)sc2cnc(Nc3cc(C)c(cc3OC(C)C)N3CCN(C)CC3)nc12 |(2.82,-5.98,;1.79,-4.84,;.29,-5.16,;-.19,-6.62,;-1.7,-6.94,;-2.09,-8.43,;-2.73,-5.8,;-2.25,-4.33,;-.74,-4.01,;-.27,-2.55,;-1.17,-1.3,;-2.71,-1.3,;-3.48,.03,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;5.2,-2.84,;6.53,-2.07,;6.53,-.53,;7.87,.24,;7.87,1.78,;9.2,-.53,;9.2,-2.07,;7.87,-2.84,;7.87,-4.38,;6.53,-5.15,;5.2,-4.38,;6.53,-6.69,;10.53,.24,;10.53,1.78,;11.87,2.55,;13.2,1.78,;14.53,2.55,;13.2,.24,;11.87,-.53,;2.53,-2.84,;1.2,-2.07,)| Show InChI InChI=1S/C29H36N6O3S/c1-17(2)38-23-14-22(35-11-9-34(5)10-12-35)18(3)13-21(23)32-29-30-15-24-27(33-29)26(25(16-36)39-24)20-8-7-19(4)31-28(20)37-6/h7-8,13-15,17,36H,9-12,16H2,1-6H3,(H,30,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description The reagents used have the following composition: Enzyme buffer (EB): 50 mM HEPES (pH: 7.0) (Sigma H7523), 100 mM NaCl (Sigma S7653), NaN.sub.3 at 0....				US Patent US9115140 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BFX
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM175244 (US9115140, I-13) Show SMILES COc1cc(C2CCN(C)CC2)c(C)cc1Nc1ncc2sc(C(N)=O)c(-c3ccccc3)c2n1 Show InChI InChI=1S/C27H29N5O2S/c1-16-13-20(21(34-3)14-19(16)17-9-11-32(2)12-10-17)30-27-29-15-22-24(31-27)23(25(35-22)26(28)33)18-7-5-4-6-8-18/h4-8,13-15,17H,9-12H2,1-3H3,(H2,28,33)(H,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description The reagents used have the following composition: Enzyme buffer (EB): 50 mM HEPES (pH: 7.0) (Sigma H7523), 100 mM NaCl (Sigma S7653), NaN.sub.3 at 0....				US Patent US9115140 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BFX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50389041 (CHEMBL2064333) Show SMILES Cn1c(Cc2nc(cc(=O)[nH]2)N2CCOCC2)nc2cc(F)ccc12 Show InChI InChI=1S/C17H18FN5O2/c1-22-13-3-2-11(18)8-12(13)19-15(22)9-14-20-16(10-17(24)21-14)23-4-6-25-7-5-23/h2-3,8,10H,4-7,9H2,1H3,(H,20,21,24)	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research& Development Curated by ChEMBL					Assay Description Inhibition of human PI3Kbeta-mediated Akt phosphorylation at Ser473 residue expressed in PTEN-deficient human PC3 cells by chemiluminescence assay				J Med Chem 55: 4788-805 (2012) Article DOI: 10.1021/jm300241b BindingDB Entry DOI: 10.7270/Q2R78G88
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor [L1196M] (Homo sapiens (Human))	BDBM175249 (US9115140, I-115) Show SMILES CC(C)Oc1cc(ccc1Nc1ncc2sc(C(N)=O)c(-c3ccoc3C)c2n1)C1CCN(C)CC1 |(6.53,-2.07,;7.87,-2.84,;9.2,-2.07,;7.87,-4.38,;6.53,-5.15,;6.53,-6.69,;5.2,-7.46,;3.86,-6.69,;3.86,-5.15,;5.2,-4.38,;5.2,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-1.17,-1.3,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,;-.27,-2.55,;-.74,-4.01,;.16,-5.26,;-.74,-6.51,;-2.21,-6.03,;-2.21,-4.49,;-3.45,-3.58,;1.2,-2.07,;2.53,-2.84,;5.2,-9,;6.53,-9.77,;6.53,-11.31,;5.2,-12.08,;5.2,-13.62,;3.86,-11.31,;3.86,-9.77,)| Show InChI InChI=1S/C27H31N5O3S/c1-15(2)35-21-13-18(17-7-10-32(4)11-8-17)5-6-20(21)30-27-29-14-22-24(31-27)23(25(36-22)26(28)33)19-9-12-34-16(19)3/h5-6,9,12-15,17H,7-8,10-11H2,1-4H3,(H2,28,33)(H,29,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description The reagents used have the following composition: Enzyme buffer (EB): 50 mM HEPES (pH: 7.0) (Sigma H7523), 100 mM NaCl (Sigma S7653), NaN.sub.3 at 0....				US Patent US9115140 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BFX
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM175254 (US9115140, I-132) Show SMILES COc1ncccc1-c1c(sc2cnc(Nc3cc(C)c(cc3OC(C)C)-n3ccnc3C)nc12)C(N)=O |(2.82,-5.98,;1.79,-4.84,;.29,-5.16,;-.19,-6.62,;-1.7,-6.94,;-2.73,-5.8,;-2.25,-4.33,;-.74,-4.01,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;5.2,-2.84,;5.2,-4.38,;3.86,-5.15,;3.86,-6.69,;2.53,-7.46,;5.2,-7.46,;6.53,-6.69,;6.53,-5.15,;7.87,-4.38,;7.87,-2.84,;6.53,-2.07,;9.2,-2.07,;5.2,-9,;3.95,-9.91,;4.43,-11.37,;5.97,-11.37,;6.44,-9.91,;7.91,-9.43,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,)| Show InChI InChI=1S/C27H27N7O3S/c1-14(2)37-20-12-19(34-10-9-29-16(34)4)15(3)11-18(20)32-27-31-13-21-23(33-27)22(24(38-21)25(28)35)17-7-6-8-30-26(17)36-5/h6-14H,1-5H3,(H2,28,35)(H,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description The reagents used have the following composition: Enzyme buffer (EB): 50 mM HEPES (pH: 7.0) (Sigma H7523), 100 mM NaCl (Sigma S7653), NaN.sub.3 at 0....				US Patent US9115140 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BFX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50389065 (CHEMBL2064348) Show SMILES Cn1c(Cc2nc(cc(=O)[nH]2)N2CCOCC2)nc2cccc(-c3ccccc3)c12 Show InChI InChI=1S/C23H23N5O2/c1-27-20(14-19-25-21(15-22(29)26-19)28-10-12-30-13-11-28)24-18-9-5-8-17(23(18)27)16-6-3-2-4-7-16/h2-9,15H,10-14H2,1H3,(H,25,26,29)	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research& Development Curated by ChEMBL					Assay Description Inhibition of human PI3Kbeta-mediated Akt phosphorylation at Ser473 residue expressed in PTEN-deficient human PC3 cells by chemiluminescence assay				J Med Chem 55: 4788-805 (2012) Article DOI: 10.1021/jm300241b BindingDB Entry DOI: 10.7270/Q2R78G88
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50389054 (CHEMBL2064411) Show SMILES O=c1cc(nc(Cc2nc3c(cccc3o2)-c2ccccc2)[nH]1)N1CCOCC1 Show InChI InChI=1S/C22H20N4O3/c27-20-14-19(26-9-11-28-12-10-26)23-18(24-20)13-21-25-22-16(7-4-8-17(22)29-21)15-5-2-1-3-6-15/h1-8,14H,9-13H2,(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	19	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research& Development Curated by ChEMBL					Assay Description Inhibition of N-terminus poly-His tagged human PI3Kbeta expressed in baculovirus infected insect S21 cells coexpressing p85alpha using PI(4,5)P2 as s...				J Med Chem 55: 4788-805 (2012) Article DOI: 10.1021/jm300241b BindingDB Entry DOI: 10.7270/Q2R78G88
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50389070 (CHEMBL2064343) Show SMILES O=c1cc(nc(Cc2nc3ccccc3n2C2CCCCC2)[nH]1)N1CCOCC1 Show InChI InChI=1S/C22H27N5O2/c28-22-15-20(26-10-12-29-13-11-26)24-19(25-22)14-21-23-17-8-4-5-9-18(17)27(21)16-6-2-1-3-7-16/h4-5,8-9,15-16H,1-3,6-7,10-14H2,(H,24,25,28)	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	21	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research& Development Curated by ChEMBL					Assay Description Inhibition of poly-His tagged human PI3Kdelta expressed in baculovirus infected insect sf9 cells coexpressing p85alpha using PI(4,5)P2 as substrate p...				J Med Chem 55: 4788-805 (2012) Article DOI: 10.1021/jm300241b BindingDB Entry DOI: 10.7270/Q2R78G88
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50389052 (CHEMBL2064413) Show SMILES O=c1cc(nc(Cc2nc3c(cccc3o2)-c2cccs2)[nH]1)N1CCOCC1 Show InChI InChI=1S/C20H18N4O3S/c25-18-12-17(24-6-8-26-9-7-24)21-16(22-18)11-19-23-20-13(15-5-2-10-28-15)3-1-4-14(20)27-19/h1-5,10,12H,6-9,11H2,(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	22	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research& Development Curated by ChEMBL					Assay Description Inhibition of human PI3Kbeta-mediated Akt phosphorylation at Ser473 residue expressed in PTEN-deficient human PC3 cells by chemiluminescence assay				J Med Chem 55: 4788-805 (2012) Article DOI: 10.1021/jm300241b BindingDB Entry DOI: 10.7270/Q2R78G88
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM175258 (US9115140, I-176) Show SMILES COc1ncccc1-c1c(sc2cnc(Nc3cccc(N4CCN(C)CC4)c3OC(C)C)nc12)C(N)=O |(2.82,-5.98,;1.79,-4.84,;.29,-5.16,;-.19,-6.62,;-1.7,-6.94,;-2.73,-5.8,;-2.25,-4.33,;-.74,-4.01,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;5.2,-2.84,;5.2,-4.38,;3.86,-5.15,;3.86,-6.69,;5.2,-7.46,;6.53,-6.69,;7.87,-7.46,;9.2,-6.69,;10.53,-7.46,;10.53,-9,;11.87,-9.77,;9.2,-9.77,;7.87,-9,;6.53,-5.15,;7.87,-4.38,;7.87,-2.84,;6.53,-2.07,;9.2,-2.07,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,)| Show InChI InChI=1S/C27H31N7O3S/c1-16(2)37-23-18(8-5-9-19(23)34-13-11-33(3)12-14-34)31-27-30-15-20-22(32-27)21(24(38-20)25(28)35)17-7-6-10-29-26(17)36-4/h5-10,15-16H,11-14H2,1-4H3,(H2,28,35)(H,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description The reagents used have the following composition: Enzyme buffer (EB): 50 mM HEPES (pH: 7.0) (Sigma H7523), 100 mM NaCl (Sigma S7653), NaN.sub.3 at 0....				US Patent US9115140 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BFX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50389062 (CHEMBL2064352) Show SMILES Fc1ccc2oc(Cc3nc(cc(=O)[nH]3)N3CCOCC3)nc2c1 Show InChI InChI=1S/C16H15FN4O3/c17-10-1-2-12-11(7-10)18-16(24-12)8-13-19-14(9-15(22)20-13)21-3-5-23-6-4-21/h1-2,7,9H,3-6,8H2,(H,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	26	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research& Development Curated by ChEMBL					Assay Description Inhibition of human PI3Kbeta-mediated Akt phosphorylation at Ser473 residue expressed in PTEN-deficient human PC3 cells by chemiluminescence assay				J Med Chem 55: 4788-805 (2012) Article DOI: 10.1021/jm300241b BindingDB Entry DOI: 10.7270/Q2R78G88
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50389073 (CHEMBL2064340) Show SMILES CCn1c(Cc2nc(cc(=O)[nH]2)N2CCOCC2)nc2ccccc12 Show InChI InChI=1S/C18H21N5O2/c1-2-23-14-6-4-3-5-13(14)19-17(23)11-15-20-16(12-18(24)21-15)22-7-9-25-10-8-22/h3-6,12H,2,7-11H2,1H3,(H,20,21,24)	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	26	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research& Development Curated by ChEMBL					Assay Description Inhibition of human PI3Kbeta-mediated Akt phosphorylation at Ser473 residue expressed in PTEN-deficient human PC3 cells by chemiluminescence assay				J Med Chem 55: 4788-805 (2012) Article DOI: 10.1021/jm300241b BindingDB Entry DOI: 10.7270/Q2R78G88
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50389066 (CHEMBL2064347) Show SMILES Cn1c(Cc2nc(cc(=O)[nH]2)N2CCOCC2)nc2c(cccc12)-c1ccccc1 Show InChI InChI=1S/C23H23N5O2/c1-27-18-9-5-8-17(16-6-3-2-4-7-16)23(18)26-20(27)14-19-24-21(15-22(29)25-19)28-10-12-30-13-11-28/h2-9,15H,10-14H2,1H3,(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	26	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research& Development Curated by ChEMBL					Assay Description Inhibition of human PI3Kbeta-mediated Akt phosphorylation at Ser473 residue expressed in PTEN-deficient human PC3 cells by chemiluminescence assay				J Med Chem 55: 4788-805 (2012) Article DOI: 10.1021/jm300241b BindingDB Entry DOI: 10.7270/Q2R78G88
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM175260 (US9115140, I-202) Show SMILES COc1ccc(F)cc1-c1c(CO)sc2cnc(Nc3ccc(cc3OC(C)C)N3CCN(C)CC3)nc12 |(2.82,-5.98,;1.79,-4.84,;.29,-5.16,;-.19,-6.62,;-1.7,-6.94,;-2.73,-5.8,;-4.23,-6.12,;-2.25,-4.33,;-.74,-4.01,;-.27,-2.55,;-1.17,-1.3,;-2.71,-1.3,;-3.48,.03,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;5.2,-2.84,;6.53,-2.07,;7.87,-2.84,;9.2,-2.07,;9.2,-.53,;7.87,.24,;6.53,-.53,;5.2,.24,;5.2,1.78,;3.86,2.55,;6.53,2.55,;10.53,.24,;10.53,1.78,;11.87,2.55,;13.2,1.78,;14.53,2.55,;13.2,.24,;11.87,-.53,;2.53,-2.84,;1.2,-2.07,)| Show InChI InChI=1S/C28H32FN5O3S/c1-17(2)37-23-14-19(34-11-9-33(3)10-12-34)6-7-21(23)31-28-30-15-24-27(32-28)26(25(16-35)38-24)20-13-18(29)5-8-22(20)36-4/h5-8,13-15,17,35H,9-12,16H2,1-4H3,(H,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description The reagents used have the following composition: Enzyme buffer (EB): 50 mM HEPES (pH: 7.0) (Sigma H7523), 100 mM NaCl (Sigma S7653), NaN.sub.3 at 0....				US Patent US9115140 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BFX
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM175243 (US9115140, I-7) Show SMILES COc1cc(ccc1Nc1ncc2sc(C(N)=O)c(-c3ccccc3)c2n1)N1CCN(CC1)C(C)C Show InChI InChI=1S/C27H30N6O2S/c1-17(2)32-11-13-33(14-12-32)19-9-10-20(21(15-19)35-3)30-27-29-16-22-24(31-27)23(25(36-22)26(28)34)18-7-5-4-6-8-18/h4-10,15-17H,11-14H2,1-3H3,(H2,28,34)(H,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description The reagents used have the following composition: Enzyme buffer (EB): 50 mM HEPES (pH: 7.0) (Sigma H7523), 100 mM NaCl (Sigma S7653), NaN.sub.3 at 0....				US Patent US9115140 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BFX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50389047 (CHEMBL2064328) Show SMILES CC(Nc1ccccc1)c1cc(C)cc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C22H24N2O3/c1-15-12-18(16(2)23-17-6-4-3-5-7-17)22-19(13-15)20(25)14-21(27-22)24-8-10-26-11-9-24/h3-7,12-14,16,23H,8-11H2,1-2H3	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	28	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research& Development Curated by ChEMBL					Assay Description Inhibition of N-terminus poly-His tagged human PI3Kbeta expressed in baculovirus infected insect S21 cells coexpressing p85alpha using PI(4,5)P2 as s...				J Med Chem 55: 4788-805 (2012) Article DOI: 10.1021/jm300241b BindingDB Entry DOI: 10.7270/Q2R78G88
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor [L1196M] (Homo sapiens (Human))	BDBM175260 (US9115140, I-202) Show SMILES COc1ccc(F)cc1-c1c(CO)sc2cnc(Nc3ccc(cc3OC(C)C)N3CCN(C)CC3)nc12 |(2.82,-5.98,;1.79,-4.84,;.29,-5.16,;-.19,-6.62,;-1.7,-6.94,;-2.73,-5.8,;-4.23,-6.12,;-2.25,-4.33,;-.74,-4.01,;-.27,-2.55,;-1.17,-1.3,;-2.71,-1.3,;-3.48,.03,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;5.2,-2.84,;6.53,-2.07,;7.87,-2.84,;9.2,-2.07,;9.2,-.53,;7.87,.24,;6.53,-.53,;5.2,.24,;5.2,1.78,;3.86,2.55,;6.53,2.55,;10.53,.24,;10.53,1.78,;11.87,2.55,;13.2,1.78,;14.53,2.55,;13.2,.24,;11.87,-.53,;2.53,-2.84,;1.2,-2.07,)| Show InChI InChI=1S/C28H32FN5O3S/c1-17(2)37-23-14-19(34-11-9-33(3)10-12-34)6-7-21(23)31-28-30-15-24-27(32-28)26(25(16-35)38-24)20-13-18(29)5-8-22(20)36-4/h5-8,13-15,17,35H,9-12,16H2,1-4H3,(H,30,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description The reagents used have the following composition: Enzyme buffer (EB): 50 mM HEPES (pH: 7.0) (Sigma H7523), 100 mM NaCl (Sigma S7653), NaN.sub.3 at 0....				US Patent US9115140 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BFX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50389072 (CHEMBL2064341) Show SMILES Fc1ccc2n(C3CC3)c(Cc3nc(cc(=O)[nH]3)N3CCOCC3)nc2c1 Show InChI InChI=1S/C19H20FN5O2/c20-12-1-4-15-14(9-12)21-18(25(15)13-2-3-13)10-16-22-17(11-19(26)23-16)24-5-7-27-8-6-24/h1,4,9,11,13H,2-3,5-8,10H2,(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	29	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research& Development Curated by ChEMBL					Assay Description Inhibition of N-terminus poly-His tagged human PI3Kbeta expressed in baculovirus infected insect S21 cells coexpressing p85alpha using PI(4,5)P2 as s...				J Med Chem 55: 4788-805 (2012) Article DOI: 10.1021/jm300241b BindingDB Entry DOI: 10.7270/Q2R78G88
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50389042 (CHEMBL2064331) Show SMILES Fc1ccc2nc(Cc3nc(cc(=O)[nH]3)N3CCOCC3)[nH]c2c1 Show InChI InChI=1S/C16H16FN5O2/c17-10-1-2-11-12(7-10)19-13(18-11)8-14-20-15(9-16(23)21-14)22-3-5-24-6-4-22/h1-2,7,9H,3-6,8H2,(H,18,19)(H,20,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research& Development Curated by ChEMBL					Assay Description Inhibition of N-terminus poly-His tagged human PI3Kbeta expressed in baculovirus infected insect S21 cells coexpressing p85alpha using PI(4,5)P2 as s...				J Med Chem 55: 4788-805 (2012) Article DOI: 10.1021/jm300241b BindingDB Entry DOI: 10.7270/Q2R78G88
					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	30	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research& Development Curated by ChEMBL					Assay Description Inhibition of N-terminus poly-His tagged human PI3Kbeta expressed in baculovirus infected insect S21 cells coexpressing p85alpha using PI(4,5)P2 as s...				J Med Chem 55: 4788-805 (2012) Article DOI: 10.1021/jm300241b BindingDB Entry DOI: 10.7270/Q2R78G88
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50389046 (CHEMBL2064327) Show SMILES Cc1cc(F)ccc1Oc1cccc2c(O)cc(nc12)N1CCOCC1 Show InChI InChI=1S/C20H19FN2O3/c1-13-11-14(21)5-6-17(13)26-18-4-2-3-15-16(24)12-19(22-20(15)18)23-7-9-25-10-8-23/h2-6,11-12H,7-10H2,1H3,(H,22,24)	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	32	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research& Development Curated by ChEMBL					Assay Description Inhibition of N-terminus poly-His tagged human PI3Kbeta expressed in baculovirus infected insect S21 cells coexpressing p85alpha using PI(4,5)P2 as s...				J Med Chem 55: 4788-805 (2012) Article DOI: 10.1021/jm300241b BindingDB Entry DOI: 10.7270/Q2R78G88
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM175256 (US9115140, I-164) Show SMILES COc1ccccc1-c1c(sc2cnc(Nc3ccc(NC4CCOCC4)cc3OC(C)C)nc12)C(N)=O |(2.82,-5.98,;1.79,-4.84,;.29,-5.16,;-.19,-6.62,;-1.7,-6.94,;-2.73,-5.8,;-2.25,-4.33,;-.74,-4.01,;-.27,-2.55,;-1.17,-1.3,;-.27,-.06,;1.2,-.53,;2.53,.24,;3.86,-.53,;3.86,-2.07,;5.2,-2.84,;6.53,-2.07,;7.87,-2.84,;9.2,-2.07,;9.2,-.53,;10.53,.24,;11.87,-.53,;11.87,-2.07,;13.2,-2.84,;14.53,-2.07,;14.53,-.53,;13.2,.24,;7.87,.24,;6.53,-.53,;5.2,.24,;5.2,1.78,;3.86,2.55,;6.53,2.55,;2.53,-2.84,;1.2,-2.07,;-2.71,-1.3,;-3.48,-2.64,;-3.48,.03,)| Show InChI InChI=1S/C28H31N5O4S/c1-16(2)37-22-14-18(31-17-10-12-36-13-11-17)8-9-20(22)32-28-30-15-23-25(33-28)24(26(38-23)27(29)34)19-6-4-5-7-21(19)35-3/h4-9,14-17,31H,10-13H2,1-3H3,(H2,29,34)(H,30,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
SANOFI US Patent					Assay Description The reagents used have the following composition: Enzyme buffer (EB): 50 mM HEPES (pH: 7.0) (Sigma H7523), 100 mM NaCl (Sigma S7653), NaN.sub.3 at 0....				US Patent US9115140 (2015) BindingDB Entry DOI: 10.7270/Q2HX1BFX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50389069 (CHEMBL2064344) Show SMILES O=c1cc(nc(Cc2nc3ccccc3n2-c2ccccc2)[nH]1)N1CCOCC1 Show InChI InChI=1S/C22H21N5O2/c28-22-15-20(26-10-12-29-13-11-26)24-19(25-22)14-21-23-17-8-4-5-9-18(17)27(21)16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H,24,25,28)	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	36	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Research& Development Curated by ChEMBL					Assay Description Inhibition of poly-His tagged human PI3Kdelta expressed in baculovirus infected insect sf9 cells coexpressing p85alpha using PI(4,5)P2 as substrate p...				J Med Chem 55: 4788-805 (2012) Article DOI: 10.1021/jm300241b BindingDB Entry DOI: 10.7270/Q2R78G88
					More data for this Ligand-Target Pair

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