Compile Data Set for Download or QSAR

Found 387 hits with Last Name = 'garcia-echeverria' and Initial = 'c'   

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
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM112737 (US8629141, 4) Show SMILES O[C@H]1CCC(CC1)NC(=O)[C@@H]1NC2(CCCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 |r,wU:19.32,20.23,wD:10.10,1.0,(6.05,1.99,;4.57,2.39,;4.17,3.87,;2.68,4.27,;1.59,3.18,;1.99,1.7,;3.48,1.3,;.1,3.58,;-.99,2.49,;-2.47,2.89,;-.59,1.01,;.88,.53,;.88,-1.01,;2.37,-.7,;3.47,.45,;4.8,-.32,;4.64,-1.47,;3.31,-.7,;2.21,-1.78,;-.59,-1.49,;-1.49,-.24,;-2.98,.16,;-4.07,-.93,;-5.56,-.53,;-5.96,.96,;-4.87,2.04,;-5.26,3.53,;-3.38,1.65,;-3.78,3.13,;.32,-2.73,;1.86,-2.73,;-.59,-3.98,;-2.05,-3.5,;-3.39,-4.27,;-4.72,-3.5,;-6.05,-4.27,;-4.72,-1.96,;-3.39,-1.19,;-2.05,-1.96,)| Show InChI InChI=1S/C30H34Cl2FN3O3/c31-17-8-13-21-23(16-17)35-28(39)30(21)24(20-6-5-7-22(32)25(20)33)26(36-29(30)14-3-1-2-4-15-29)27(38)34-18-9-11-19(37)12-10-18/h5-8,13,16,18-19,24,26,36-37H,1-4,9-12,14-15H2,(H,34,38)(H,35,39)/t18?,19-,24-,26+,30+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1	n/a	15.6	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of Michigan; Sanofi US Patent					Assay Description The binding affinity of the MDM2 inhibitors disclosed herein was determined using a fluorescence polarization-based (FP-based) binding assay using a ...				US Patent US8629141 (2014) BindingDB Entry DOI: 10.7270/Q2W094KC
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50433561 (CHEMBL2381408) Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:8.8,5.4,31.34,wD:17.29,7.31,34.38,(40.88,-57.18,;39.34,-57.18,;38.57,-58.51,;40.11,-58.5,;38.57,-55.84,;37.04,-55.84,;37.52,-54.37,;36.27,-53.47,;35.03,-54.37,;33.51,-54.09,;32.52,-55.27,;31.01,-54.99,;30.49,-53.53,;31.49,-52.36,;30.98,-50.9,;33,-52.64,;34.01,-51.48,;35.49,-55.84,;36.38,-57.1,;37.93,-57.11,;35.48,-58.34,;34.01,-57.86,;32.69,-58.61,;31.36,-57.84,;30.03,-58.6,;31.37,-56.3,;32.71,-55.54,;34.03,-56.32,;36.26,-51.93,;34.93,-51.16,;37.6,-51.15,;37.6,-49.61,;36.26,-48.86,;36.26,-47.31,;37.6,-46.54,;37.6,-45,;38.93,-47.32,;38.93,-48.85,)| Show InChI InChI=1S/C29H34Cl2FN3O3/c1-28(2,3)14-22-29(19-12-7-15(30)13-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-16-8-10-17(36)11-9-16/h4-7,12-13,16-17,22-23,25,35-36H,8-11,14H2,1-3H3,(H,33,37)(H,34,38)/t16-,17-,22-,23-,25+,29+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Binding affinity to human MDM2				Bioorg Med Chem Lett 23: 2480-5 (2013) Article DOI: 10.1016/j.bmcl.2013.03.034 BindingDB Entry DOI: 10.7270/Q2RN3970
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50447088 (CHEMBL3112850) Show SMILES Brc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C18H19BrN4O3/c19-13-2-1-3-14-12(13)4-5-23(14)18(25)10-15-20-16(11-17(24)21-15)22-6-8-26-9-7-22/h1-3,11H,4-10H2,(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	1	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50447089 (CHEMBL3112849) Show SMILES Clc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C18H19ClN4O3/c19-13-2-1-3-14-12(13)4-5-23(14)18(25)10-15-20-16(11-17(24)21-15)22-6-8-26-9-7-22/h1-3,11H,4-10H2,(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	1	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50447078 (CHEMBL3112860 | US9133168, Example 18d) Show SMILES CN1CCN(Cc2cccc3N(CCc23)C(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)CC1 Show InChI InChI=1S/C24H32N6O3/c1-27-7-9-28(10-8-27)17-18-3-2-4-20-19(18)5-6-30(20)24(32)15-21-25-22(16-23(31)26-21)29-11-13-33-14-12-29/h2-4,16H,5-15,17H2,1H3,(H,25,26,31)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kdelta expressed in baculovirus-infected sf9 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50447087 (CHEMBL3112851) Show SMILES Cc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C19H22N4O3/c1-13-3-2-4-15-14(13)5-6-23(15)19(25)11-16-20-17(12-18(24)21-16)22-7-9-26-10-8-22/h2-4,12H,5-11H2,1H3,(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	3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50447089 (CHEMBL3112849) Show SMILES Clc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C18H19ClN4O3/c19-13-2-1-3-14-12(13)4-5-23(14)18(25)10-15-20-16(11-17(24)21-15)22-6-8-26-9-7-22/h1-3,11H,4-10H2,(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	3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50447092 (CHEMBL3112847) Show SMILES Fc1ccc2N(CCc2c1)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C18H19FN4O3/c19-13-1-2-14-12(9-13)3-4-23(14)18(25)10-15-20-16(11-17(24)21-15)22-5-7-26-8-6-22/h1-2,9,11H,3-8,10H2,(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	4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50447100 (CHEMBL3112862) Show SMILES CC1Cc2ccccc2N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C19H22N4O3/c1-13-10-14-4-2-3-5-15(14)23(13)19(25)11-16-20-17(12-18(24)21-16)22-6-8-26-9-7-22/h2-5,12-13H,6-11H2,1H3,(H,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50447093 (CHEMBL3112690) Show SMILES O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCc2ccccc12 Show InChI InChI=1S/C18H20N4O3/c23-17-12-16(21-7-9-25-10-8-21)19-15(20-17)11-18(24)22-6-5-13-3-1-2-4-14(13)22/h1-4,12H,5-11H2,(H,19,20,23)	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	4	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50507688 (CHEMBL4550214 | US11535598, Compound 5) Show SMILES ONC(=O)c1ccc(Cn2c3ccccc3c(=O)n(CCc3ccccc3)c2=O)cc1 Show InChI InChI=1S/C24H21N3O4/c28-22(25-31)19-12-10-18(11-13-19)16-27-21-9-5-4-8-20(21)23(29)26(24(27)30)15-14-17-6-2-1-3-7-17/h1-13,31H,14-16H2,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Cedilla Therapeutics Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127202 BindingDB Entry DOI: 10.7270/Q2MP56W4
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50111440 (4-(1-carbamoyl-4-methylpentanamide-2-yl-cyclopropy...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(CP([O-])([O-])=O)cc1)C(=O)N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)NC1(CC1)C(=O)N[C@@H](CC(C)C)C(N)=O Show InChI InChI=1S/C56H74ClN10O14PS/c1-31(2)24-42(47(58)71)64-54(78)56(21-22-56)67-52(76)39(18-19-46(69)70)61-50(74)45(27-36-29-59-41-28-37(57)16-17-38(36)41)63-49(73)44(26-34-12-14-35(15-13-34)30-82(79,80)81)65-53(77)55(4,5)66-51(75)40(20-23-83-6)62-48(72)43(60-32(3)68)25-33-10-8-7-9-11-33/h7-17,28-29,31,39-40,42-45,59H,18-27,30H2,1-6H3,(H2,58,71)(H,60,68)(H,61,74)(H,62,72)(H,63,73)(H,64,78)(H,65,77)(H,66,75)(H,67,76)(H,69,70)(H2,79,80,81)/p-2/t39-,40-,42-,43-,44-,45-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Antagonist activity at human GST-tagged MDM2 assessed as inhibition of binding to full length p53				Bioorg Med Chem Lett 23: 2480-5 (2013) Article DOI: 10.1016/j.bmcl.2013.03.034 BindingDB Entry DOI: 10.7270/Q2RN3970
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM60629 (BDBM50447090 | US9133168, 16b) Show SMILES Fc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C18H19FN4O3/c19-13-2-1-3-14-12(13)4-5-23(14)18(25)10-15-20-16(11-17(24)21-15)22-6-8-26-9-7-22/h1-3,11H,4-10H2,(H,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50447087 (CHEMBL3112851) Show SMILES Cc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C19H22N4O3/c1-13-3-2-4-15-14(13)5-6-23(15)19(25)11-16-20-17(12-18(24)21-16)22-7-9-26-10-8-22/h2-4,12H,5-11H2,1H3,(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	5	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50447100 (CHEMBL3112862) Show SMILES CC1Cc2ccccc2N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C19H22N4O3/c1-13-10-14-4-2-3-5-15(14)23(13)19(25)11-16-20-17(12-18(24)21-16)22-6-8-26-9-7-22/h2-5,12-13H,6-11H2,1H3,(H,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM60632 (BDBM50447095 | US9133168, 20b) Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kdelta expressed in baculovirus-infected sf9 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM60629 (BDBM50447090 | US9133168, 16b) Show SMILES Fc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C18H19FN4O3/c19-13-2-1-3-14-12(13)4-5-23(14)18(25)10-15-20-16(11-17(24)21-15)22-6-8-26-9-7-22/h1-3,11H,4-10H2,(H,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM60632 (BDBM50447095 | US9133168, 20b) Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50447088 (CHEMBL3112850) Show SMILES Brc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C18H19BrN4O3/c19-13-2-1-3-14-12(13)4-5-23(14)18(25)10-15-20-16(11-17(24)21-15)22-6-8-26-9-7-22/h1-3,11H,4-10H2,(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	6	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50447092 (CHEMBL3112847) Show SMILES Fc1ccc2N(CCc2c1)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C18H19FN4O3/c19-13-1-2-14-12(9-13)3-4-23(14)18(25)10-15-20-16(11-17(24)21-15)22-5-7-26-8-6-22/h1-2,9,11H,3-8,10H2,(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	7	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50447081 (CHEMBL3112857 | US9133168, Example 13d) Show SMILES O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCc2c1cccc2-c1cccnc1 Show InChI InChI=1S/C23H23N5O3/c29-22-14-21(27-9-11-31-12-10-27)25-20(26-22)13-23(30)28-8-6-18-17(4-1-5-19(18)28)16-3-2-7-24-15-16/h1-5,7,14-15H,6,8-13H2,(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	7	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kdelta expressed in baculovirus-infected sf9 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50449305 (CHEMBL3125379) Show SMILES CC1Cc2c(cccc2Cl)N1C(=O)Cc1nc(sc1C(O)=O)N1CCOCC1 Show InChI InChI=1S/C19H20ClN3O4S/c1-11-9-12-13(20)3-2-4-15(12)23(11)16(24)10-14-17(18(25)26)28-19(21-14)22-5-7-27-8-6-22/h2-4,11H,5-10H2,1H3,(H,25,26)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of human PI3Kbeta after 15 mins				Bioorg Med Chem Lett 24: 1506-10 (2014) Article DOI: 10.1016/j.bmcl.2014.02.004 BindingDB Entry DOI: 10.7270/Q25H7HR2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50447083 (CHEMBL3112855 | US9133168, Example 2d) Show SMILES O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCc2c1cccc2-c1ccccc1 Show InChI InChI=1S/C24H24N4O3/c29-23-16-22(27-11-13-31-14-12-27)25-21(26-23)15-24(30)28-10-9-19-18(7-4-8-20(19)28)17-5-2-1-3-6-17/h1-8,16H,9-15H2,(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	8	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50447085 (CHEMBL3112853 | US9133168, Example 5d) Show SMILES FC(F)(F)c1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C19H19F3N4O3/c20-19(21,22)13-2-1-3-14-12(13)4-5-26(14)18(28)10-15-23-16(11-17(27)24-15)25-6-8-29-9-7-25/h1-3,11H,4-10H2,(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	9	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50447094 (CHEMBL1972466) Show SMILES CC(Nc1ccccc1)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 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	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 Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50449293 (CHEMBL3125394) Show SMILES CC1Cc2c(cccc2Cl)N1C(=O)Cc1nc(sc1C(N)=O)N1CCOCC1 Show InChI InChI=1S/C19H21ClN4O3S/c1-11-9-12-13(20)3-2-4-15(12)24(11)16(25)10-14-17(18(21)26)28-19(22-14)23-5-7-27-8-6-23/h2-4,11H,5-10H2,1H3,(H2,21,26)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of human PI3Kbeta after 15 mins				Bioorg Med Chem Lett 24: 1506-10 (2014) Article DOI: 10.1016/j.bmcl.2014.02.004 BindingDB Entry DOI: 10.7270/Q25H7HR2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50447085 (CHEMBL3112853 | US9133168, Example 5d) Show SMILES FC(F)(F)c1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C19H19F3N4O3/c20-19(21,22)13-2-1-3-14-12(13)4-5-26(14)18(28)10-15-23-16(11-17(27)24-15)25-6-8-29-9-7-25/h1-3,11H,4-10H2,(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	10	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50447080 (CHEMBL3112858 | US9133168, Example 10d) Show SMILES O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCc2c1cccc2-c1ccncc1 Show InChI InChI=1S/C23H23N5O3/c29-22-15-21(27-10-12-31-13-11-27)25-20(26-22)14-23(30)28-9-6-18-17(2-1-3-19(18)28)16-4-7-24-8-5-16/h1-5,7-8,15H,6,9-14H2,(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	10	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50449312 (CHEMBL3125390) Show SMILES NC(=O)c1sc(nc1CC(=O)N1CCc2c1cccc2Br)N1CCOCC1 Show InChI InChI=1S/C18H19BrN4O3S/c19-12-2-1-3-14-11(12)4-5-23(14)15(24)10-13-16(17(20)25)27-18(21-13)22-6-8-26-9-7-22/h1-3H,4-10H2,(H2,20,25)	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of human PI3Kbeta after 15 mins				Bioorg Med Chem Lett 24: 1506-10 (2014) Article DOI: 10.1016/j.bmcl.2014.02.004 BindingDB Entry DOI: 10.7270/Q25H7HR2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50449301 (CHEMBL3125383) Show SMILES OC(=O)c1sc(nc1CC(=O)N1CCc2c1cccc2Br)N1CCOCC1 Show InChI InChI=1S/C18H18BrN3O4S/c19-12-2-1-3-14-11(12)4-5-22(14)15(23)10-13-16(17(24)25)27-18(20-13)21-6-8-26-9-7-21/h1-3H,4-10H2,(H,24,25)	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of human PI3Kbeta after 15 mins				Bioorg Med Chem Lett 24: 1506-10 (2014) Article DOI: 10.1016/j.bmcl.2014.02.004 BindingDB Entry DOI: 10.7270/Q25H7HR2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM60632 (BDBM50447095 | US9133168, 20b) Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50447098 (CHEMBL3112864) Show SMILES CC1CN(C(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c2ccccc12 Show InChI InChI=1S/C19H22N4O3/c1-13-12-23(15-5-3-2-4-14(13)15)19(25)10-16-20-17(11-18(24)21-16)22-6-8-26-9-7-22/h2-5,11,13H,6-10,12H2,1H3,(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	13	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50449293 (CHEMBL3125394) Show SMILES CC1Cc2c(cccc2Cl)N1C(=O)Cc1nc(sc1C(N)=O)N1CCOCC1 Show InChI InChI=1S/C19H21ClN4O3S/c1-11-9-12-13(20)3-2-4-15(12)24(11)16(25)10-14-17(18(21)26)28-19(22-14)23-5-7-27-8-6-23/h2-4,11H,5-10H2,1H3,(H2,21,26)	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in human PTEN-deficient PC3 cells assessed as Akt phosphorylation at S473				Bioorg Med Chem Lett 24: 1506-10 (2014) Article DOI: 10.1016/j.bmcl.2014.02.004 BindingDB Entry DOI: 10.7270/Q25H7HR2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50449291 (CHEMBL3125375) Show SMILES CC1Cc2cc(F)ccc2N1C(=O)Cc1nc(sc1C(N)=O)N1CCOCC1 Show InChI InChI=1S/C19H21FN4O3S/c1-11-8-12-9-13(20)2-3-15(12)24(11)16(25)10-14-17(18(21)26)28-19(22-14)23-4-6-27-7-5-23/h2-3,9,11H,4-8,10H2,1H3,(H2,21,26)	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in human PTEN-deficient PC3 cells assessed as Akt phosphorylation at S473				Bioorg Med Chem Lett 24: 1506-10 (2014) Article DOI: 10.1016/j.bmcl.2014.02.004 BindingDB Entry DOI: 10.7270/Q25H7HR2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50447093 (CHEMBL3112690) Show SMILES O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCc2ccccc12 Show InChI InChI=1S/C18H20N4O3/c23-17-12-16(21-7-9-25-10-8-21)19-15(20-17)11-18(24)22-6-5-13-3-1-2-4-14(13)22/h1-4,12H,5-11H2,(H,19,20,23)	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50449296 (CHEMBL3125391) Show SMILES NC(=O)c1sc(nc1CC(=O)N1CCc2cc(F)ccc12)N1CCOCC1 Show InChI InChI=1S/C18H19FN4O3S/c19-12-1-2-14-11(9-12)3-4-23(14)15(24)10-13-16(17(20)25)27-18(21-13)22-5-7-26-8-6-22/h1-2,9H,3-8,10H2,(H2,20,25)	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in human PTEN-deficient PC3 cells assessed as Akt phosphorylation at S473				Bioorg Med Chem Lett 24: 1506-10 (2014) Article DOI: 10.1016/j.bmcl.2014.02.004 BindingDB Entry DOI: 10.7270/Q25H7HR2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50449303 (CHEMBL3125381) Show SMILES CC1Cc2cc(F)ccc2N1C(=O)Cc1nc(sc1C(O)=O)N1CCOCC1 Show InChI InChI=1S/C19H20FN3O4S/c1-11-8-12-9-13(20)2-3-15(12)23(11)16(24)10-14-17(18(25)26)28-19(21-14)22-4-6-27-7-5-22/h2-3,9,11H,4-8,10H2,1H3,(H,25,26)	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of human PI3Kbeta after 15 mins				Bioorg Med Chem Lett 24: 1506-10 (2014) Article DOI: 10.1016/j.bmcl.2014.02.004 BindingDB Entry DOI: 10.7270/Q25H7HR2
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PRP4 homolog (Homo sapiens (Human))	BDBM213236 (4-ylmethyl)-carbamoyl]-thiophen-2-yl}-benzo[b]thio...) Show SMILES NC(=O)c1cc2c(cccc2s1)-c1ccc(s1)C(=O)NCc1ccnc(Cl)c1 Show InChI InChI=1S/C20H16ClN3O3S2/c21-18-8-11(6-7-23-18)10-24-19(25)15-5-4-14(28-15)12-2-1-3-16-13(12)9-17(20(26)27)29(16)22/h1-9,29H,10,22H2,(H,24,25)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	7.5	25
Sanofi Oncology					Assay Description The PRP4 phosphorylation reaction was performed at room temperature with 15 nM full-length His-tagged PAK4 recombinant protein expressed in Escherich...				J Biol Chem 288: 30125-38 (2013) Article DOI: 10.1074/jbc.M113.473348 BindingDB Entry DOI: 10.7270/Q26D5RTC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50447092 (CHEMBL3112847) Show SMILES Fc1ccc2N(CCc2c1)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C18H19FN4O3/c19-13-1-2-14-12(9-13)3-4-23(14)18(25)10-15-20-16(11-17(24)21-15)22-5-7-26-8-6-22/h1-2,9,11H,3-8,10H2,(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	17	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kdelta expressed in baculovirus-infected sf9 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50449292 (CHEMBL3125395) Show SMILES CC1Cc2c(cccc2Br)N1C(=O)Cc1nc(sc1C(N)=O)N1CCOCC1 Show InChI InChI=1S/C19H21BrN4O3S/c1-11-9-12-13(20)3-2-4-15(12)24(11)16(25)10-14-17(18(21)26)28-19(22-14)23-5-7-27-8-6-23/h2-4,11H,5-10H2,1H3,(H2,21,26)	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in human PTEN-deficient PC3 cells assessed as Akt phosphorylation at S473				Bioorg Med Chem Lett 24: 1506-10 (2014) Article DOI: 10.1016/j.bmcl.2014.02.004 BindingDB Entry DOI: 10.7270/Q25H7HR2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50449292 (CHEMBL3125395) Show SMILES CC1Cc2c(cccc2Br)N1C(=O)Cc1nc(sc1C(N)=O)N1CCOCC1 Show InChI InChI=1S/C19H21BrN4O3S/c1-11-9-12-13(20)3-2-4-15(12)24(11)16(25)10-14-17(18(21)26)28-19(22-14)23-5-7-27-8-6-23/h2-4,11H,5-10H2,1H3,(H2,21,26)	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in human PTEN-deficient PC3 cells assessed as Akt phosphorylation at S473				Bioorg Med Chem Lett 24: 1506-10 (2014) Article DOI: 10.1016/j.bmcl.2014.02.004 BindingDB Entry DOI: 10.7270/Q25H7HR2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50447081 (CHEMBL3112857 | US9133168, Example 13d) Show SMILES O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCc2c1cccc2-c1cccnc1 Show InChI InChI=1S/C23H23N5O3/c29-22-14-21(27-9-11-31-12-10-27)25-20(26-22)13-23(30)28-8-6-18-17(4-1-5-19(18)28)16-3-2-7-24-15-16/h1-5,7,14-15H,6,8-13H2,(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 Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM60630 (BDBM50447097 | US9133168, 18b) Show SMILES CC1(C)CN(C(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)c2ccccc12 Show InChI InChI=1S/C20H24N4O3/c1-20(2)13-24(15-6-4-3-5-14(15)20)19(26)11-16-21-17(12-18(25)22-16)23-7-9-27-10-8-23/h3-6,12H,7-11,13H2,1-2H3,(H,21,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50447083 (CHEMBL3112855 | US9133168, Example 2d) Show SMILES O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCc2c1cccc2-c1ccccc1 Show InChI InChI=1S/C24H24N4O3/c29-23-16-22(27-11-13-31-14-12-27)25-21(26-23)15-24(30)28-10-9-19-18(7-4-8-20(19)28)17-5-2-1-3-6-17/h1-8,16H,9-15H2,(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	18	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kdelta expressed in baculovirus-infected sf9 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50447077 (CHEMBL3112861) Show SMILES Cn1c(CC(=O)N2CCc3ccccc23)nc(cc1=O)N1CCOCC1 Show InChI InChI=1S/C19H22N4O3/c1-21-16(20-17(13-18(21)24)22-8-10-26-11-9-22)12-19(25)23-7-6-14-4-2-3-5-15(14)23/h2-5,13H,6-12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kbeta expressed in baculovirus-infected sf21 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50449291 (CHEMBL3125375) Show SMILES CC1Cc2cc(F)ccc2N1C(=O)Cc1nc(sc1C(N)=O)N1CCOCC1 Show InChI InChI=1S/C19H21FN4O3S/c1-11-8-12-9-13(20)2-3-15(12)24(11)16(25)10-14-17(18(21)26)28-19(22-14)23-4-6-27-7-5-23/h2-3,9,11H,4-8,10H2,1H3,(H2,21,26)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of human PI3Kbeta after 15 mins				Bioorg Med Chem Lett 24: 1506-10 (2014) Article DOI: 10.1016/j.bmcl.2014.02.004 BindingDB Entry DOI: 10.7270/Q25H7HR2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50447089 (CHEMBL3112849) Show SMILES Clc1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C18H19ClN4O3/c19-13-2-1-3-14-12(13)4-5-23(14)18(25)10-15-20-16(11-17(24)21-15)22-6-8-26-9-7-22/h1-3,11H,4-10H2,(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	21	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kdelta expressed in baculovirus-infected sf9 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50447080 (CHEMBL3112858 | US9133168, Example 10d) Show SMILES O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCc2c1cccc2-c1ccncc1 Show InChI InChI=1S/C23H23N5O3/c29-22-15-21(27-10-12-31-13-11-27)25-20(26-22)14-23(30)28-9-6-18-17(2-1-3-19(18)28)16-4-7-24-8-5-16/h1-5,7-8,15H,6,9-14H2,(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	22	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of N-terminal ploy-His-tagged human PI3Kdelta expressed in baculovirus-infected sf9 cells using PI(4,5)P2 as substrate after 15 mins by HT...				J Med Chem 57: 903-20 (2014) Article DOI: 10.1021/jm401642q BindingDB Entry DOI: 10.7270/Q2R212VJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50449312 (CHEMBL3125390) Show SMILES NC(=O)c1sc(nc1CC(=O)N1CCc2c1cccc2Br)N1CCOCC1 Show InChI InChI=1S/C18H19BrN4O3S/c19-12-2-1-3-14-11(12)4-5-23(14)15(24)10-13-16(17(20)25)27-18(21-13)22-6-8-26-9-7-22/h1-3H,4-10H2,(H2,20,25)	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 Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in human PTEN-deficient PC3 cells assessed as Akt phosphorylation at S473				Bioorg Med Chem Lett 24: 1506-10 (2014) Article DOI: 10.1016/j.bmcl.2014.02.004 BindingDB Entry DOI: 10.7270/Q25H7HR2
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50449296 (CHEMBL3125391) Show SMILES NC(=O)c1sc(nc1CC(=O)N1CCc2cc(F)ccc12)N1CCOCC1 Show InChI InChI=1S/C18H19FN4O3S/c19-12-1-2-14-11(9-12)3-4-23(14)15(24)10-13-16(17(20)25)27-18(21-13)22-5-7-26-8-6-22/h1-2,9H,3-8,10H2,(H2,20,25)	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 Curated by ChEMBL					Assay Description Inhibition of human PI3Kbeta after 15 mins				Bioorg Med Chem Lett 24: 1506-10 (2014) Article DOI: 10.1016/j.bmcl.2014.02.004 BindingDB Entry DOI: 10.7270/Q25H7HR2
					More data for this Ligand-Target Pair

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