Compile Data Set for Download or QSAR

Found 330 hits with Last Name = 'amara' 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
Aromatase (Homo sapiens (Human))	BDBM50135997 (CHEMBL3754471) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C |r,t:19| Show InChI InChI=1S/C20H28O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h11-12,14-16H,4-10H2,1-3H3/t12-,14-,15-,16-,19+,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Competitive irreversible inhibition of human placental microsome aromatase using varying levels of [1beta3H]-androstenedione as substrate measured af...				J Med Chem 62: 3636-3657 (2019) Article DOI: 10.1021/acs.jmedchem.9b00157 BindingDB Entry DOI: 10.7270/Q2N301CW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50135997 (CHEMBL3754471) Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C |r,t:19| Show InChI InChI=1S/C20H28O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h11-12,14-16H,4-10H2,1-3H3/t12-,14-,15-,16-,19+,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Competitive reversible inhibition of human placental microsome aromatase using varying levels of [1beta3H]-androstenedione as substrate measured afte...				J Med Chem 62: 3636-3657 (2019) Article DOI: 10.1021/acs.jmedchem.9b00157 BindingDB Entry DOI: 10.7270/Q2N301CW
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50398447 (Aromasin | EXEMESTANE) Show SMILES C[C@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O |r,c:13,t:9| Show InChI InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Competitive inhibition of human placental microsome aromatase using varying levels of [1beta2beta3H]-androstenedione as substrate				J Med Chem 62: 3636-3657 (2019) Article DOI: 10.1021/acs.jmedchem.9b00157 BindingDB Entry DOI: 10.7270/Q2N301CW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aromatase (Homo sapiens (Human))	BDBM50332805 ((3R,4S,5R,8R,9S,10R,13S,14S)-10,13-Dimethyl-hexade...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4[C@@H]5O[C@@H]5CC[C@]34C)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C19H28O2/c1-18-10-8-15-17(21-15)14(18)4-3-11-12-5-6-16(20)19(12,2)9-7-13(11)18/h11-15,17H,3-10H2,1-2H3/t11-,12-,13-,14-,15+,17-,18+,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of aromatase in human microsomes using [1beta-3H]androstenedione as substrate after 5 mins by Dixon plot analysis				J Med Chem 55: 3992-4002 (2012) Article DOI: 10.1021/jm300262w BindingDB Entry DOI: 10.7270/Q22V2H52
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50332803 ((5S,8R,9S,10S,13S,14S)-10,13-dimethyl-5,6,7,8,9,10...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C=CCC[C@]34C)[C@@H]1CCC2=O |r,c:9| Show InChI InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3,5,13-16H,4,6-12H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of aromatase in human microsomes using [1beta-3H]androstenedione as substrate after 5 mins by Dixon plot analysis				J Med Chem 55: 3992-4002 (2012) Article DOI: 10.1021/jm300262w BindingDB Entry DOI: 10.7270/Q22V2H52
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50388393 (CHEMBL2058266) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4CCC[C@]35C)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C19H28O2/c1-17-10-8-14-12(13(17)5-6-15(17)20)7-11-19-16(21-19)4-3-9-18(14,19)2/h12-14,16H,3-11H2,1-2H3/t12-,13-,14-,16+,17-,18+,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of aromatase in human microsomes using [1beta-3H]androstenedione as substrate after 5 mins by Dixon plot analysis				J Med Chem 55: 3992-4002 (2012) Article DOI: 10.1021/jm300262w BindingDB Entry DOI: 10.7270/Q22V2H52
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50388396 (CHEMBL1077603) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O |r,t:8| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,13-16,20H,3-10H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of aromatase in human microsomes using [1beta-3H]androstenedione as substrate after 5 mins by Dixon plot analysis				J Med Chem 55: 3992-4002 (2012) Article DOI: 10.1021/jm300262w BindingDB Entry DOI: 10.7270/Q22V2H52
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50388394 (CHEMBL2058267) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC=CC[C@]34C)[C@@H]1CCC2=O |r,c:10| Show InChI InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3-4,13-16H,5-12H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Coimbra Curated by ChEMBL					Assay Description Inhibition of aromatase in human microsomes using [1beta-3H]androstenedione as substrate after 5 mins by Dixon plot analysis				J Med Chem 55: 3992-4002 (2012) Article DOI: 10.1021/jm300262w BindingDB Entry DOI: 10.7270/Q22V2H52
					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 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 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))	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
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))	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))	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))	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))	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 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))	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 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 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))	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 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))	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))	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))	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))	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
Calcium-dependent protein kinase 1 (Plasmodium Falciparum)	BDBM36336 (CID24762166 | Purfalcamine, 1) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)C(=O)N2CCCCC2)c2ncn(-c3cccc(F)c3)c2n1 |r,wU:4.7,wD:1.0,(-8.67,.31,;-7.34,-.46,;-7.34,-2,;-6,-2.77,;-4.67,-2,;-4.67,-.46,;-6,.31,;-3.33,-2.77,;-2,-2,;-2,-.46,;-.67,.31,;-.67,1.85,;.67,2.62,;2,1.85,;3.33,2.62,;3.33,4.16,;2,4.93,;.67,4.16,;4.67,4.93,;4.67,6.47,;6,4.16,;6,2.62,;7.34,1.85,;8.67,2.62,;8.67,4.16,;7.34,4.93,;.67,-.46,;2.13,.02,;3.04,-1.23,;2.13,-2.47,;2.9,-3.81,;2.13,-5.14,;2.9,-6.47,;4.44,-6.47,;5.21,-5.14,;6.75,-5.14,;4.44,-3.81,;.67,-2,;-.67,-2.77,)| Show InChI InChI=1S/C29H33FN8O/c30-20-5-4-6-24(17-20)38-18-32-25-26(35-29(36-27(25)38)34-23-13-9-21(31)10-14-23)33-22-11-7-19(8-12-22)28(39)37-15-2-1-3-16-37/h4-8,11-12,17-18,21,23H,1-3,9-10,13-16,31H2,(H2,33,34,35,36)/t21-,23-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	7.5	24
The Scripps Research Institute					Assay Description The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...				Nat Chem Biol 4: 347-56 (2008) Article DOI: 10.1038/nchembio.87 BindingDB Entry DOI: 10.7270/Q2TB1573
					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))	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 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 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))	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	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 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))	BDBM50447079 (CHEMBL3112859 | US9133168, Example 26d) Show SMILES CN1CCN(CC1)c1cccc2N(CCc12)C(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1 Show InChI InChI=1S/C23H30N6O3/c1-26-7-9-27(10-8-26)18-3-2-4-19-17(18)5-6-29(19)23(31)15-20-24-21(16-22(30)25-20)28-11-13-32-14-12-28/h2-4,16H,5-15H2,1H3,(H,24,25,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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))	BDBM60631 (BDBM50447096 | US9133168, 19b) 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	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	23	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))	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	24	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))	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	24	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))	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	28	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))	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	28	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
Calcium-dependent protein kinase 1 (Plasmodium Falciparum)	BDBM36340 (4-{2-trans-(4-Amino-cyclohexylamino)-6-[4-(piperid...) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)C(=O)N2CCCCC2)c2ncn(-c3ccc(cc3)C(O)=O)c2n1 |r,wU:4.7,wD:1.0,(-8.67,1.65,;-7.34,.88,;-7.34,-.66,;-6,-1.43,;-4.67,-.66,;-4.67,.88,;-6,1.65,;-3.33,-1.43,;-2,-.66,;-2,.88,;-.67,1.65,;-.67,3.19,;.67,3.96,;2,3.19,;3.33,3.96,;3.33,5.5,;2,6.27,;.67,5.5,;4.67,6.27,;4.67,7.81,;6,5.5,;6,3.96,;7.34,3.19,;8.67,3.96,;8.67,5.5,;7.34,6.27,;.67,.88,;2.13,1.35,;3.04,.11,;2.13,-1.14,;2.9,-2.47,;2.13,-3.81,;2.9,-5.14,;4.44,-5.14,;5.21,-3.81,;4.44,-2.47,;5.21,-6.47,;4.44,-7.81,;6.75,-6.47,;.67,-.66,;-.67,-1.43,)| Show InChI InChI=1S/C30H34N8O3/c31-21-8-12-23(13-9-21)34-30-35-26(33-22-10-4-19(5-11-22)28(39)37-16-2-1-3-17-37)25-27(36-30)38(18-32-25)24-14-6-20(7-15-24)29(40)41/h4-7,10-11,14-15,18,21,23H,1-3,8-9,12-13,16-17,31H2,(H,40,41)(H2,33,34,35,36)/t21-,23-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	7.5	24
The Scripps Research Institute					Assay Description The test compounds and enzyme were mixed in buffer, and the substrate and [gamma-33P] ATP/ATP were added to the mixture to initiate the reaction. Aft...				Nat Chem Biol 4: 347-56 (2008) Article DOI: 10.1038/nchembio.87 BindingDB Entry DOI: 10.7270/Q2TB1573
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50313664 (CHEMBL1077218 | N-(6-chloro-5-(furan-3-yl)-1H-inda...) Show SMILES CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccoc1 Show InChI InChI=1S/C15H14ClN3O2/c1-2-3-14(20)17-15-11-6-10(9-4-5-21-8-9)12(16)7-13(11)18-19-15/h4-8H,2-3H2,1H3,(H2,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-aventis Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta by kinetic assay				Bioorg Med Chem Lett 20: 2344-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.132 BindingDB Entry DOI: 10.7270/Q2SB45WF
					More data for this Ligand-Target Pair

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