Compile Data Set for Download or QSAR

Found 1022 hits with Last Name = 'hebach' 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
Histone deacetylase 4 (Homo sapiens (Human))	BDBM162854 (US9056843, 145) Show SMILES CCCN(CC)C[C@@H](C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C18H23F3N4O2/c1-4-10-25(5-2)11-12(3)22-16(26)14-8-6-13(7-9-14)15-23-17(27-24-15)18(19,20)21/h6-9,12H,4-5,10-11H2,1-3H3,(H,22,26)/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.75	n/a	n/a	n/a	n/a	8.0	25
NOVARTIS AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9056843 (2015) BindingDB Entry DOI: 10.7270/Q24F1PG8
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM162865 (US9056843, 156) Show SMILES C[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C21H21F3N4O2/c1-14(12-28(2)13-15-6-4-3-5-7-15)25-19(29)17-10-8-16(9-11-17)18-26-20(30-27-18)21(22,23)24/h3-11,14H,12-13H2,1-2H3,(H,25,29)/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.850	n/a	n/a	n/a	n/a	8.0	25
NOVARTIS AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9056843 (2015) BindingDB Entry DOI: 10.7270/Q24F1PG8
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM162846 (US9056843, 137) Show SMILES CCCN(CCC)C[C@@H](C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C19H25F3N4O2/c1-4-10-26(11-5-2)12-13(3)23-17(27)15-8-6-14(7-9-15)16-24-18(28-25-16)19(20,21)22/h6-9,13H,4-5,10-12H2,1-3H3,(H,23,27)/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.970	n/a	n/a	n/a	n/a	8.0	25
NOVARTIS AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9056843 (2015) BindingDB Entry DOI: 10.7270/Q24F1PG8
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM162848 (US9056843, 139) Show SMILES CCCN(C)C[C@@H](C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C17H21F3N4O2/c1-4-9-24(3)10-11(2)21-15(25)13-7-5-12(6-8-13)14-22-16(26-23-14)17(18,19)20/h5-8,11H,4,9-10H2,1-3H3,(H,21,25)/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	8.0	25
NOVARTIS AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9056843 (2015) BindingDB Entry DOI: 10.7270/Q24F1PG8
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM162859 (US9056843, 150) Show SMILES CCCCN(C)C[C@@H](C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C18H23F3N4O2/c1-4-5-10-25(3)11-12(2)22-16(26)14-8-6-13(7-9-14)15-23-17(27-24-15)18(19,20)21/h6-9,12H,4-5,10-11H2,1-3H3,(H,22,26)/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	8.0	25
NOVARTIS AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9056843 (2015) BindingDB Entry DOI: 10.7270/Q24F1PG8
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM162852 (US9056843, 143) Show SMILES CCCN(C)C[C@@H](C)NC(=O)c1ccc(cc1F)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C17H20F4N4O2/c1-4-7-25(3)9-10(2)22-15(26)12-6-5-11(8-13(12)18)14-23-16(27-24-14)17(19,20)21/h5-6,8,10H,4,7,9H2,1-3H3,(H,22,26)/t10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	8.0	25
NOVARTIS AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9056843 (2015) BindingDB Entry DOI: 10.7270/Q24F1PG8
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM162850 (US9056843, 141) Show SMILES CCCN(CCC)C[C@@H](C)NC(=O)c1ccc(cc1F)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C19H24F4N4O2/c1-4-8-27(9-5-2)11-12(3)24-17(28)14-7-6-13(10-15(14)20)16-25-18(29-26-16)19(21,22)23/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,24,28)/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	8.0	25
NOVARTIS AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9056843 (2015) BindingDB Entry DOI: 10.7270/Q24F1PG8
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM162855 (US9056843, 146) Show SMILES CCCN(CC)C[C@@H](C)NC(=O)c1ccc(cc1F)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C18H22F4N4O2/c1-4-8-26(5-2)10-11(3)23-16(27)13-7-6-12(9-14(13)19)15-24-17(28-25-15)18(20,21)22/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,23,27)/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	8.0	25
NOVARTIS AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9056843 (2015) BindingDB Entry DOI: 10.7270/Q24F1PG8
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM162860 (US9056843, 151) Show SMILES CCCCN(C)C[C@@H](C)NC(=O)c1ccc(cc1F)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C18H22F4N4O2/c1-4-5-8-26(3)10-11(2)23-16(27)13-7-6-12(9-14(13)19)15-24-17(28-25-15)18(20,21)22/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,23,27)/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	8.0	25
NOVARTIS AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9056843 (2015) BindingDB Entry DOI: 10.7270/Q24F1PG8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50533774 (CHEMBL4469006) Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cccc(c1)-c1ncnc2ccc(cc12)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H25N5O2/c1-20(36)34-11-13-35(14-12-34)30(37)24-7-4-6-23(16-24)29-26-17-21(9-10-28(26)32-19-33-29)25-15-22-5-2-3-8-27(22)31-18-25/h2-10,15-19H,11-14H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) assessed as reduction in ADP formation using phosphatidyl inositol as substrate after 30 to 60 mins by TR-FR...				ACS Med Chem Lett 7: 762-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00119 BindingDB Entry DOI: 10.7270/Q2V98CKP
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118301 (US8653092, 69) Show SMILES COc1ncc(cc1C#N)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r| Show InChI InChI=1S/C24H29N7O3/c1-33-23-17(11-25)10-19(12-26-23)30-7-3-21-20(14-30)22(28-15-27-21)29-18-2-6-31(13-18)24(32)16-4-8-34-9-5-16/h10,12,15-16,18H,2-9,13-14H2,1H3,(H,27,28,29)/t18-/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	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118303 (US8653092, 71) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOC(C)(C)C3)c2C1 |r| Show InChI InChI=1S/C26H33F3N6O3/c1-25(2)11-16(6-9-38-25)24(36)35-7-4-17(13-35)33-22-19-14-34(8-5-21(19)31-15-32-22)18-10-20(26(27,28)29)23(37-3)30-12-18/h10,12,15-17H,4-9,11,13-14H2,1-3H3,(H,31,32,33)/t16?,17-/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	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118314 (US8653092, 82) Show SMILES COc1ncc(cc1Cl)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r| Show InChI InChI=1S/C23H29ClN6O3/c1-32-22-19(24)10-17(11-25-22)29-7-3-20-18(13-29)21(27-14-26-20)28-16-2-6-30(12-16)23(31)15-4-8-33-9-5-15/h10-11,14-16H,2-9,12-13H2,1H3,(H,26,27,28)/t16-/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	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM162862 (US9056843, 153) Show SMILES CN1CC[C@H](C1)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C15H15F3N4O2/c1-22-7-6-11(8-22)19-13(23)10-4-2-9(3-5-10)12-20-14(24-21-12)15(16,17)18/h2-5,11H,6-8H2,1H3,(H,19,23)/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.60	n/a	n/a	n/a	n/a	8.0	25
NOVARTIS AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9056843 (2015) BindingDB Entry DOI: 10.7270/Q24F1PG8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118305 (US8653092, 73) Show SMILES CO[C@H]1CC[C@H](CC1)C(=O)N1CC[C@@H](C1)Nc1ncnc2CCN(Cc12)c1cnc(OC)c(c1)C(F)(F)F |r,wU:5.8,2.1,wD:13.16,(10.58,2.37,;9.81,3.7,;8.27,3.7,;7.5,2.37,;5.96,2.37,;5.19,3.7,;5.96,5.04,;7.5,5.04,;3.65,3.7,;2.88,5.04,;2.88,2.37,;3.79,1.12,;2.88,-.12,;1.42,.35,;1.42,1.89,;.09,-.42,;.09,-1.96,;1.42,-2.73,;1.42,-4.27,;.09,-5.04,;-1.25,-4.27,;-2.58,-5.04,;-3.92,-4.27,;-3.92,-2.73,;-2.58,-1.96,;-1.25,-2.73,;-5.25,-1.96,;-5.25,-.42,;-6.58,.35,;-7.92,-.42,;-9.25,.35,;-9.25,1.89,;-7.92,-1.96,;-6.58,-2.73,;-9.25,-2.73,;-10.58,-1.96,;-9.25,-4.27,;-10.02,-1.39,)| Show InChI InChI=1S/C26H33F3N6O3/c1-37-19-5-3-16(4-6-19)25(36)35-9-7-17(13-35)33-23-20-14-34(10-8-22(20)31-15-32-23)18-11-21(26(27,28)29)24(38-2)30-12-18/h11-12,15-17,19H,3-10,13-14H2,1-2H3,(H,31,32,33)/t16-,17-,19+/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	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118261 (US8653092, 28) Show SMILES COc1ncc(cc1C#N)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3oc(C)nc3C)c2C1 |r| Show InChI InChI=1S/C24H25N7O4/c1-14-21(34-15(2)29-14)24(32)31-6-4-18(11-31)35-23-19-12-30(7-5-20(19)27-13-28-23)17-8-16(9-25)22(33-3)26-10-17/h8,10,13,18H,4-7,11-12H2,1-3H3/t18-/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	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118307 (US8653092, 75) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)[C@@H]3CC[C@H](O)CC3)c2C1 |r,wU:28.29,31.33,wD:21.21,(-8.87,1.89,;-8.87,.35,;-7.53,-.42,;-6.2,.35,;-4.86,-.42,;-4.86,-1.96,;-6.2,-2.73,;-7.53,-1.96,;-8.87,-2.73,;-10.2,-1.96,;-8.87,-4.27,;-9.64,-1.39,;-3.53,-2.73,;-3.53,-4.27,;-2.2,-5.04,;-.86,-4.27,;.47,-5.04,;1.8,-4.27,;1.8,-2.73,;.47,-1.96,;.47,-.42,;1.8,.35,;3.27,-.12,;4.17,1.12,;3.27,2.37,;1.8,1.89,;4.04,3.7,;3.27,5.04,;5.58,3.7,;6.35,2.37,;7.89,2.37,;8.66,3.7,;10.2,3.7,;7.89,5.04,;6.35,5.04,;-.86,-2.73,;-2.2,-1.96,)| Show InChI InChI=1S/C25H31F3N6O3/c1-37-23-20(25(26,27)28)10-17(11-29-23)33-9-7-21-19(13-33)22(31-14-30-21)32-16-6-8-34(12-16)24(36)15-2-4-18(35)5-3-15/h10-11,14-16,18,35H,2-9,12-13H2,1H3,(H,30,31,32)/t15-,16-,18+/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	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118304 (US8653092, 72) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)c3cnco3)c2C1 |r| Show InChI InChI=1S/C22H22F3N7O3/c1-34-20-16(22(23,24)25)6-14(7-27-20)31-5-3-17-15(10-31)19(29-11-28-17)30-13-2-4-32(9-13)21(33)18-8-26-12-35-18/h6-8,11-13H,2-5,9-10H2,1H3,(H,28,29,30)/t13-/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	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118306 (US8653092, 74) Show SMILES CO[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H](C1)Nc1ncnc2CCN(Cc12)c1cnc(OC)c(c1)C(F)(F)F |r,wU:5.8,wD:13.16,2.1,(10.58,2.37,;9.81,3.7,;8.27,3.7,;7.5,5.04,;5.96,5.04,;5.19,3.7,;5.96,2.37,;7.5,2.37,;3.65,3.7,;2.88,5.04,;2.88,2.37,;3.79,1.12,;2.88,-.12,;1.42,.35,;1.42,1.89,;.09,-.42,;.09,-1.96,;1.42,-2.73,;1.42,-4.27,;.09,-5.04,;-1.25,-4.27,;-2.58,-5.04,;-3.92,-4.27,;-3.92,-2.73,;-2.58,-1.96,;-1.25,-2.73,;-5.25,-1.96,;-5.25,-.42,;-6.58,.35,;-7.92,-.42,;-9.25,.35,;-9.25,1.89,;-7.92,-1.96,;-6.58,-2.73,;-9.25,-2.73,;-10.58,-1.96,;-9.25,-4.27,;-10.02,-1.39,)| Show InChI InChI=1S/C26H33F3N6O3/c1-37-19-5-3-16(4-6-19)25(36)35-9-7-17(13-35)33-23-20-14-34(10-8-22(20)31-15-32-23)18-11-21(26(27,28)29)24(38-2)30-12-18/h11-12,15-17,19H,3-10,13-14H2,1-2H3,(H,31,32,33)/t16-,17-,19-/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	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM162847 (US9056843, 138) Show SMILES C[C@H](CN(C)C(C)C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C17H21F3N4O2/c1-10(2)24(4)9-11(3)21-15(25)13-7-5-12(6-8-13)14-22-16(26-23-14)17(18,19)20/h5-8,10-11H,9H2,1-4H3,(H,21,25)/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.5	n/a	n/a	n/a	n/a	8.0	25
NOVARTIS AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9056843 (2015) BindingDB Entry DOI: 10.7270/Q24F1PG8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50203680 (CHEMBL3960012) Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2ccc(cc12)-c1cnc(OC)c(c1)C#N |r| Show InChI InChI=1S/C22H21N5O3/c1-3-20(28)27-7-6-17(12-27)30-22-18-9-14(4-5-19(18)25-13-26-22)16-8-15(10-23)21(29-2)24-11-16/h4-5,8-9,11,13,17H,3,6-7,12H2,1-2H3/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3K-delta (unknown origin) by KinaseGlo assay				Bioorg Med Chem Lett 26: 5657-5662 (2016) Article DOI: 10.1016/j.bmcl.2016.10.069 BindingDB Entry DOI: 10.7270/Q20Z7574
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50533772 (CHEMBL4521888) Show SMILES COc1ncc(cc1C(F)(F)F)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1 Show InChI InChI=1S/C28H24F3N5O3/c1-17(37)35-8-10-36(11-9-35)27(38)20-5-3-4-19(12-20)25-22-13-18(6-7-24(22)33-16-34-25)21-14-23(28(29,30)31)26(39-2)32-15-21/h3-7,12-16H,8-11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) assessed as reduction in ADP formation using phosphatidyl inositol as substrate after 30 to 60 mins by TR-FR...				ACS Med Chem Lett 7: 762-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00119 BindingDB Entry DOI: 10.7270/Q2V98CKP
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118287 (US8653092, 55) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cscn3)c2C1 |r| Show InChI InChI=1S/C22H21F3N6O3S/c1-33-20-16(22(23,24)25)6-13(7-26-20)30-5-3-17-15(9-30)19(28-11-27-17)34-14-2-4-31(8-14)21(32)18-10-35-12-29-18/h6-7,10-12,14H,2-5,8-9H2,1H3/t14-/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	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM162841 (US9056843, 132) Show SMILES CCN(CC)C[C@@H](C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C17H21F3N4O2/c1-4-24(5-2)10-11(3)21-15(25)13-8-6-12(7-9-13)14-22-16(26-23-14)17(18,19)20/h6-9,11H,4-5,10H2,1-3H3,(H,21,25)/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	8.0	25
NOVARTIS AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9056843 (2015) BindingDB Entry DOI: 10.7270/Q24F1PG8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118286 (US8653092, 54) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cnn(C)c3)c2C1 |r| Show InChI InChI=1S/C23H24F3N7O3/c1-31-10-14(8-30-31)22(34)33-5-3-16(11-33)36-20-17-12-32(6-4-19(17)28-13-29-20)15-7-18(23(24,25)26)21(35-2)27-9-15/h7-10,13,16H,3-6,11-12H2,1-2H3/t16-/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	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM92862 (US9284315, BEZ-235 | mTOR Inhibitor, BEZ235) Show SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1 Show InChI InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human mTOR after 60 mins in presence of [gamma-33P]-ATP by microplate scintillation counting				ACS Med Chem Lett 7: 762-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00119 BindingDB Entry DOI: 10.7270/Q2V98CKP
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118273 (US8653092, 40) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3oc(C)nc3C)c2C1 |r| Show InChI InChI=1S/C24H25F3N6O4/c1-13-20(36-14(2)31-13)23(34)33-6-4-16(10-33)37-21-17-11-32(7-5-19(17)29-12-30-21)15-8-18(24(25,26)27)22(35-3)28-9-15/h8-9,12,16H,4-7,10-11H2,1-3H3/t16-/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	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118302 (US8653092, 70) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCN(CC3)C(C)=O)c2C1 |r| Show InChI InChI=1S/C26H32F3N7O3/c1-16(37)34-7-3-17(4-8-34)25(38)36-9-5-18(13-36)33-23-20-14-35(10-6-22(20)31-15-32-23)19-11-21(26(27,28)29)24(39-2)30-12-19/h11-12,15,17-18H,3-10,13-14H2,1-2H3,(H,31,32,33)/t18-/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	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118285 (US8653092, 53) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cn(C)cn3)c2C1 |r| Show InChI InChI=1S/C23H24F3N7O3/c1-31-11-19(30-13-31)22(34)33-5-3-15(9-33)36-20-16-10-32(6-4-18(16)28-12-29-20)14-7-17(23(24,25)26)21(35-2)27-8-14/h7-8,11-13,15H,3-6,9-10H2,1-2H3/t15-/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	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Histone deacetylase 4 [2-1084] (Homo sapiens (Human))	BDBM187784 (US9670193, 36 3-chloro-N-(1-(pyridin-4-yl)ethyl)-5...) Show SMILES CC(Nc1ncc(cc1Cl)-c1noc(n1)C(F)(F)F)c1ccncc1 Show InChI InChI=1S/C15H11ClF3N5O/c1-8(9-2-4-20-5-3-9)22-13-11(16)6-10(7-21-13)12-23-14(25-24-12)15(17,18)19/h2-8H,1H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.40	n/a	n/a	n/a	n/a	8.0	25
Novartis AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9670193 (2017) BindingDB Entry DOI: 10.7270/Q2SF2TCV
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118308 (US8653092, 76) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)[C@H]3CC[C@H](O)CC3)c2C1 |r,wU:28.29,wD:21.21,31.33,(-8.87,1.89,;-8.87,.35,;-7.53,-.42,;-6.2,.35,;-4.86,-.42,;-4.86,-1.96,;-6.2,-2.73,;-7.53,-1.96,;-8.87,-2.73,;-10.2,-1.96,;-8.87,-4.27,;-9.64,-1.39,;-3.53,-2.73,;-3.53,-4.27,;-2.2,-5.04,;-.86,-4.27,;.47,-5.04,;1.8,-4.27,;1.8,-2.73,;.47,-1.96,;.47,-.42,;1.8,.35,;3.27,-.12,;4.17,1.12,;3.27,2.37,;1.8,1.89,;4.04,3.7,;3.27,5.04,;5.58,3.7,;6.35,5.04,;7.89,5.04,;8.66,3.7,;10.2,3.7,;7.89,2.37,;6.35,2.37,;-.86,-2.73,;-2.2,-1.96,)| Show InChI InChI=1S/C25H31F3N6O3/c1-37-23-20(25(26,27)28)10-17(11-29-23)33-9-7-21-19(13-33)22(31-14-30-21)32-16-6-8-34(12-16)24(36)15-2-4-18(35)5-3-15/h10-11,14-16,18,35H,2-9,12-13H2,1H3,(H,30,31,32)/t15-,16-,18-/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	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50203699 (CHEMBL3977066) Show SMILES COc1ncc(cc1C#N)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1 Show InChI InChI=1S/C28H24N6O3/c1-18(35)33-8-10-34(11-9-33)28(36)21-5-3-4-20(12-21)26-24-14-19(6-7-25(24)31-17-32-26)23-13-22(15-29)27(37-2)30-16-23/h3-7,12-14,16-17H,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	PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3K-delta (unknown origin) by KinaseGlo assay				Bioorg Med Chem Lett 26: 5657-5662 (2016) Article DOI: 10.1016/j.bmcl.2016.10.069 BindingDB Entry DOI: 10.7270/Q20Z7574
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118300 (US8653092, 68) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r| Show InChI InChI=1S/C24H29F3N6O3/c1-35-22-19(24(25,26)27)10-17(11-28-22)32-7-3-20-18(13-32)21(30-14-29-20)31-16-2-6-33(12-16)23(34)15-4-8-36-9-5-15/h10-11,14-16H,2-9,12-13H2,1H3,(H,29,30,31)/t16-/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	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM162851 (US9056843, 142) Show SMILES C[C@H](CN(C)C(C)C)NC(=O)c1ccc(cc1F)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C17H20F4N4O2/c1-9(2)25(4)8-10(3)22-15(26)12-6-5-11(7-13(12)18)14-23-16(27-24-14)17(19,20)21/h5-7,9-10H,8H2,1-4H3,(H,22,26)/t10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.20	n/a	n/a	n/a	n/a	8.0	25
NOVARTIS AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9056843 (2015) BindingDB Entry DOI: 10.7270/Q24F1PG8
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM162832 (US9056843, 123) Show SMILES CCN(CC)CC(C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F Show InChI InChI=1S/C17H21F3N4O2/c1-4-24(5-2)10-11(3)21-15(25)13-8-6-12(7-9-13)14-22-16(26-23-14)17(18,19)20/h6-9,11H,4-5,10H2,1-3H3,(H,21,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.60	n/a	n/a	n/a	n/a	8.0	25
NOVARTIS AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9056843 (2015) BindingDB Entry DOI: 10.7270/Q24F1PG8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118254 (US8653092, 21) Show SMILES COc1cc(cnc1OC)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cocn3)c2C1 |r| Show InChI InChI=1S/C22H24N6O5/c1-30-19-7-14(8-23-21(19)31-2)27-6-4-17-16(10-27)20(25-12-24-17)33-15-3-5-28(9-15)22(29)18-11-32-13-26-18/h7-8,11-13,15H,3-6,9-10H2,1-2H3/t15-/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	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118255 (US8653092, 22) Show SMILES COc1cc(cnc1OC)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3cnco3)c2C1 |r| Show InChI InChI=1S/C22H24N6O5/c1-30-18-7-14(8-24-21(18)31-2)27-6-4-17-16(11-27)20(26-12-25-17)33-15-3-5-28(10-15)22(29)19-9-23-13-32-19/h7-9,12-13,15H,3-6,10-11H2,1-2H3/t15-/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	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM162861 (US9056843, 152) Show SMILES CCN(C[C@@H](C)NC(=O)c1ccc(cc1F)-c1noc(n1)C(F)(F)F)C(C)C |r| Show InChI InChI=1S/C18H22F4N4O2/c1-5-26(10(2)3)9-11(4)23-16(27)13-7-6-12(8-14(13)19)15-24-17(28-25-15)18(20,21)22/h6-8,10-11H,5,9H2,1-4H3,(H,23,27)/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.40	n/a	n/a	n/a	n/a	8.0	25
NOVARTIS AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9056843 (2015) BindingDB Entry DOI: 10.7270/Q24F1PG8
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM162835 (US9056843, 126) Show SMILES CCN(CC)C[C@@H](C)NC(=O)c1ccc(cc1F)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C17H20F4N4O2/c1-4-25(5-2)9-10(3)22-15(26)12-7-6-11(8-13(12)18)14-23-16(27-24-14)17(19,20)21/h6-8,10H,4-5,9H2,1-3H3,(H,22,26)/t10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.90	n/a	n/a	n/a	n/a	8.0	25
NOVARTIS AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9056843 (2015) BindingDB Entry DOI: 10.7270/Q24F1PG8
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM162845 (US9056843, 136) Show SMILES CCN(C)C[C@@H](C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r| Show InChI InChI=1S/C16H19F3N4O2/c1-4-23(3)9-10(2)20-14(24)12-7-5-11(6-8-12)13-21-15(25-22-13)16(17,18)19/h5-8,10H,4,9H2,1-3H3,(H,20,24)/t10-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.90	n/a	n/a	n/a	n/a	8.0	25
NOVARTIS AG US Patent					Assay Description Human recombinant HDAC4 was expressed in full length form (aa 2-1084) in Sf9 insect cells (obtained from ATCC) using baculovirus generated with Bac-t...				US Patent US9056843 (2015) BindingDB Entry DOI: 10.7270/Q24F1PG8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50203701 (CHEMBL3944013) Show SMILES COc1ccc(cc1OC)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1 Show InChI InChI=1S/C29H28N4O4/c1-19(34)32-11-13-33(14-12-32)29(35)23-6-4-5-22(15-23)28-24-16-20(7-9-25(24)30-18-31-28)21-8-10-26(36-2)27(17-21)37-3/h4-10,15-18H,11-14H2,1-3H3	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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3K-delta (unknown origin) by KinaseGlo assay				Bioorg Med Chem Lett 26: 5657-5662 (2016) Article DOI: 10.1016/j.bmcl.2016.10.069 BindingDB Entry DOI: 10.7270/Q20Z7574
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50203699 (CHEMBL3977066) Show SMILES COc1ncc(cc1C#N)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(CC3)C(C)=O)c2c1 Show InChI InChI=1S/C28H24N6O3/c1-18(35)33-8-10-34(11-9-33)28(36)21-5-3-4-20(12-21)26-24-14-19(6-7-25(24)31-17-32-26)23-13-22(15-29)27(37-2)30-16-23/h3-7,12-14,16-17H,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	PDB Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) assessed as reduction in ADP formation using phosphatidyl inositol as substrate after 30 to 60 mins by TR-FR...				ACS Med Chem Lett 7: 762-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00119 BindingDB Entry DOI: 10.7270/Q2V98CKP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50533778 (CHEMBL4453497) Show SMILES COc1ncc(cc1C(F)(F)F)-c1ccc2ncnc(-c3cccc(c3)C(=O)N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C27H24F3N5O2/c1-34-8-10-35(11-9-34)26(36)19-5-3-4-18(12-19)24-21-13-17(6-7-23(21)32-16-33-24)20-14-22(27(28,29)30)25(37-2)31-15-20/h3-7,12-16H,8-11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) assessed as reduction in ADP formation using phosphatidyl inositol as substrate after 30 to 60 mins by TR-FR...				ACS Med Chem Lett 7: 762-7 (2016) Article DOI: 10.1021/acsmedchemlett.6b00119 BindingDB Entry DOI: 10.7270/Q2V98CKP
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118316 (US8653092, 84) Show SMILES FC(F)(F)c1cncc(c1)N1CCc2ncnc(N[C@H]3CCN(C3)C(=O)C3CCOCC3)c2C1 |r| Show InChI InChI=1S/C23H27F3N6O2/c24-23(25,26)16-9-18(11-27-10-16)31-6-2-20-19(13-31)21(29-14-28-20)30-17-1-5-32(12-17)22(33)15-3-7-34-8-4-15/h9-11,14-15,17H,1-8,12-13H2,(H,28,29,30)/t17-/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	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50203696 (CHEMBL3896413) Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2ccc(cc12)-c1ccc(OC)nc1 |r| Show InChI InChI=1S/C21H22N4O3/c1-3-20(26)25-9-8-16(12-25)28-21-17-10-14(4-6-18(17)23-13-24-21)15-5-7-19(27-2)22-11-15/h4-7,10-11,13,16H,3,8-9,12H2,1-2H3/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3K-delta (unknown origin) by KinaseGlo assay				Bioorg Med Chem Lett 26: 5657-5662 (2016) Article DOI: 10.1016/j.bmcl.2016.10.069 BindingDB Entry DOI: 10.7270/Q20Z7574
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118272 (US8653092, 39) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)CC3)c2C1 |r| Show InChI InChI=1S/C24H28F3N5O5S/c1-36-22-19(24(25,26)27)10-16(11-28-22)31-7-3-20-18(13-31)21(30-14-29-20)37-17-2-6-32(12-17)23(33)15-4-8-38(34,35)9-5-15/h10-11,14-15,17H,2-9,12-13H2,1H3/t17-/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	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118235 (US8653092, 2) Show SMILES COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C4)C(=O)C4CCOCC4)c3C2)c(OC)n1 |r| Show InChI InChI=1S/C23H30N6O5/c1-31-21-19(11-24-23(27-21)32-2)28-8-4-18-17(13-28)20(26-14-25-18)34-16-3-7-29(12-16)22(30)15-5-9-33-10-6-15/h11,14-16H,3-10,12-13H2,1-2H3/t16-/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	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118242 (US8653092, 9) Show SMILES COc1ncc(cc1C#N)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCCC3)c2C1 |r| Show InChI InChI=1S/C24H28N6O3/c1-32-22-17(11-25)10-18(12-26-22)29-9-7-21-20(14-29)23(28-15-27-21)33-19-6-8-30(13-19)24(31)16-4-2-3-5-16/h10,12,15-16,19H,2-9,13-14H2,1H3/t19-/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	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118243 (US8653092, 10) Show SMILES COc1ncc(cc1C)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)c3oc(C)nc3C)c2C1 |r| Show InChI InChI=1S/C24H28N6O4/c1-14-9-17(10-25-22(14)32-4)29-8-6-20-19(12-29)23(27-13-26-20)34-18-5-7-30(11-18)24(31)21-15(2)28-16(3)33-21/h9-10,13,18H,5-8,11-12H2,1-4H3/t18-/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	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM118257 (US8653092, 24) Show SMILES COc1cc(cnc1OC)N1CCc2ncnc(O[C@H]3CCN(C3)C(=O)C3CCOC(C)(C)C3)c2C1 |r| Show InChI InChI=1S/C26H35N5O5/c1-26(2)12-17(7-10-35-26)25(32)31-8-5-19(14-31)36-23-20-15-30(9-6-21(20)28-16-29-23)18-11-22(33-3)24(34-4)27-13-18/h11,13,16-17,19H,5-10,12,14-15H2,1-4H3/t17?,19-/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	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The fi...				US Patent US8653092 (2014) BindingDB Entry DOI: 10.7270/Q2M61HXZ
					More data for this Ligand-Target Pair

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