Compile Data Set for Download or QSAR

Found 310 hits with Last Name = 'mack' and Initial = 'jf'   

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
Hexokinase-2 (Homo sapiens (Human))	BDBM50169013 (CHEMBL3805703) Show SMILES OC[C@H]1OC(O)[C@H](NC(=O)\C=C\c2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C15H17Cl2NO6/c16-8-3-1-7(5-9(8)17)2-4-11(20)18-12-14(22)13(21)10(6-19)24-15(12)23/h1-5,10,12-15,19,21-23H,6H2,(H,18,20)/b4-2+/t10-,12-,13-,14-,15?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Competitive inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) assessed as formation of G6P by continuou...				ACS Med Chem Lett 7: 217-22 (2016) Article DOI: 10.1021/acsmedchemlett.5b00214 BindingDB Entry DOI: 10.7270/Q2PR7XWW
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50420316 (CHEMBL2089119) Show SMILES Cc1c(Cl)cccc1Cn1c(SCC(O)=O)nc(=O)c2sc(nc12)N1CCOCC1 Show InChI InChI=1S/C19H19ClN4O4S2/c1-11-12(3-2-4-13(11)20)9-24-16-15(17(27)22-19(24)29-10-14(25)26)30-18(21-16)23-5-7-28-8-6-23/h2-4H,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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3K beta by continuous TR-FRET assay				ACS Med Chem Lett 3: 524-529 (2012) Article DOI: 10.1021/ml300045b BindingDB Entry DOI: 10.7270/Q2J967PT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50420311 (CHEMBL2089114) Show SMILES Cc1c(Cl)cccc1Cn1c(CO)nc(=O)c2sc(nc12)N1CCOCC1 Show InChI InChI=1S/C18H19ClN4O3S/c1-11-12(3-2-4-13(11)19)9-23-14(10-24)20-17(25)15-16(23)21-18(27-15)22-5-7-26-8-6-22/h2-4,24H,5-10H2,1H3	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	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3K beta by continuous TR-FRET assay				ACS Med Chem Lett 3: 524-529 (2012) Article DOI: 10.1021/ml300045b BindingDB Entry DOI: 10.7270/Q2J967PT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50420321 (CHEMBL2089112) Show SMILES Cc1c(Cn2c(CO)nc(=O)c3sc(nc23)N2CCOCC2)cccc1C(F)(F)F Show InChI InChI=1S/C19H19F3N4O3S/c1-11-12(3-2-4-13(11)19(20,21)22)9-26-14(10-27)23-17(28)15-16(26)24-18(30-15)25-5-7-29-8-6-25/h2-4,27H,5-10H2,1H3	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3K beta by continuous TR-FRET assay				ACS Med Chem Lett 3: 524-529 (2012) Article DOI: 10.1021/ml300045b BindingDB Entry DOI: 10.7270/Q2J967PT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50420309 (CHEMBL2089120) Show SMILES Cc1c(Cl)cccc1Cn1c(N)nc(=O)c2sc(nc12)N1CCOCC1 Show InChI InChI=1S/C17H18ClN5O2S/c1-10-11(3-2-4-12(10)18)9-23-14-13(15(24)21-16(23)19)26-17(20-14)22-5-7-25-8-6-22/h2-4H,5-9H2,1H3,(H2,19,21,24)	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3K beta by continuous TR-FRET assay				ACS Med Chem Lett 3: 524-529 (2012) Article DOI: 10.1021/ml300045b BindingDB Entry DOI: 10.7270/Q2J967PT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50420317 (CHEMBL2089118) Show SMILES CSc1nc(=O)c2sc(nc2n1Cc1cccc(Cl)c1C)N1CCOCC1 Show InChI InChI=1S/C18H19ClN4O2S2/c1-11-12(4-3-5-13(11)19)10-23-15-14(16(24)21-18(23)26-2)27-17(20-15)22-6-8-25-9-7-22/h3-5H,6-10H2,1-2H3	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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3K beta by continuous TR-FRET assay				ACS Med Chem Lett 3: 524-529 (2012) Article DOI: 10.1021/ml300045b BindingDB Entry DOI: 10.7270/Q2J967PT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50420310 (CHEMBL2089116) Show SMILES COc1nc(=O)c2sc(nc2n1Cc1cccc(Cl)c1C)N1CCOCC1 Show InChI InChI=1S/C18H19ClN4O3S/c1-11-12(4-3-5-13(11)19)10-23-15-14(16(24)21-17(23)25-2)27-18(20-15)22-6-8-26-9-7-22/h3-5H,6-10H2,1-2H3	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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3K beta by continuous TR-FRET assay				ACS Med Chem Lett 3: 524-529 (2012) Article DOI: 10.1021/ml300045b BindingDB Entry DOI: 10.7270/Q2J967PT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50420312 (CHEMBL2089109) Show SMILES Cc1c(Cn2c(nc(=O)c3sc(nc23)N2CCOCC2)C2CC2)cccc1C(F)(F)F Show InChI InChI=1S/C21H21F3N4O2S/c1-12-14(3-2-4-15(12)21(22,23)24)11-28-17(13-5-6-13)25-19(29)16-18(28)26-20(31-16)27-7-9-30-10-8-27/h2-4,13H,5-11H2,1H3	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3K beta by continuous TR-FRET assay				ACS Med Chem Lett 3: 524-529 (2012) Article DOI: 10.1021/ml300045b BindingDB Entry DOI: 10.7270/Q2J967PT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50420313 (CHEMBL2089108) Show SMILES CCc1nc(=O)c2sc(nc2n1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C20H21F3N4O2S/c1-3-15-24-18(28)16-17(25-19(30-16)26-7-9-29-10-8-26)27(15)11-13-5-4-6-14(12(13)2)20(21,22)23/h4-6H,3,7-11H2,1-2H3	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3K beta by continuous TR-FRET assay				ACS Med Chem Lett 3: 524-529 (2012) Article DOI: 10.1021/ml300045b BindingDB Entry DOI: 10.7270/Q2J967PT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50420314 (CHEMBL2089107) Show SMILES Cc1nc(=O)c2sc(nc2n1Cc1cccc(Cl)c1C)N1CCOCC1 Show InChI InChI=1S/C18H19ClN4O2S/c1-11-13(4-3-5-14(11)19)10-23-12(2)20-17(24)15-16(23)21-18(26-15)22-6-8-25-9-7-22/h3-5H,6-10H2,1-2H3	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3K beta by continuous TR-FRET assay				ACS Med Chem Lett 3: 524-529 (2012) Article DOI: 10.1021/ml300045b BindingDB Entry DOI: 10.7270/Q2J967PT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50420315 (CHEMBL2089106) Show SMILES Cc1nc(=O)c2sc(nc2n1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C19H19F3N4O2S/c1-11-13(4-3-5-14(11)19(20,21)22)10-26-12(2)23-17(27)15-16(26)24-18(29-15)25-6-8-28-9-7-25/h3-5H,6-10H2,1-2H3	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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3K beta by continuous TR-FRET assay				ACS Med Chem Lett 3: 524-529 (2012) Article DOI: 10.1021/ml300045b BindingDB Entry DOI: 10.7270/Q2J967PT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50365868 (CHEMBL1957857) Show SMILES Cc1cn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F Show InChI InChI=1S/C20H21F3N4O2/c1-13-11-27-18(28)10-17(25-6-8-29-9-7-25)24-19(27)26(13)12-15-4-3-5-16(14(15)2)20(21,22)23/h3-5,10-11H,6-9,12H2,1-2H3	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta by time-resolved FRET displacement assay				Bioorg Med Chem Lett 22: 2230-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.092 BindingDB Entry DOI: 10.7270/Q2GH9JF0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50365882 (CHEMBL1957870) Show SMILES C[C@@H]1CN(CCO1)c1cc(=O)n2ccn(Cc3cccc(c3C)C(F)(F)F)c2n1 |r| Show InChI InChI=1S/C20H21F3N4O2/c1-13-11-25(8-9-29-13)17-10-18(28)27-7-6-26(19(27)24-17)12-15-4-3-5-16(14(15)2)20(21,22)23/h3-7,10,13H,8-9,11-12H2,1-2H3/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta by time-resolved FRET displacement assay				Bioorg Med Chem Lett 22: 2230-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.092 BindingDB Entry DOI: 10.7270/Q2GH9JF0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50420311 (CHEMBL2089114) Show SMILES Cc1c(Cl)cccc1Cn1c(CO)nc(=O)c2sc(nc12)N1CCOCC1 Show InChI InChI=1S/C18H19ClN4O3S/c1-11-12(3-2-4-13(11)19)9-23-14(10-24)20-17(25)15-16(23)21-18(27-15)22-5-7-26-8-6-22/h2-4,24H,5-10H2,1H3	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	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3K delta by continuous TR-FRET assay				ACS Med Chem Lett 3: 524-529 (2012) Article DOI: 10.1021/ml300045b BindingDB Entry DOI: 10.7270/Q2J967PT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50420316 (CHEMBL2089119) Show SMILES Cc1c(Cl)cccc1Cn1c(SCC(O)=O)nc(=O)c2sc(nc12)N1CCOCC1 Show InChI InChI=1S/C19H19ClN4O4S2/c1-11-12(3-2-4-13(11)20)9-24-16-15(17(27)22-19(24)29-10-14(25)26)30-18(21-16)23-5-7-28-8-6-23/h2-4H,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	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3K delta by continuous TR-FRET assay				ACS Med Chem Lett 3: 524-529 (2012) Article DOI: 10.1021/ml300045b BindingDB Entry DOI: 10.7270/Q2J967PT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50365867 (CHEMBL1957856) Show SMILES Cc1cn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(Cl)c1Cl Show InChI InChI=1S/C18H18Cl2N4O2/c1-12-10-24-16(25)9-15(22-5-7-26-8-6-22)21-18(24)23(12)11-13-3-2-4-14(19)17(13)20/h2-4,9-10H,5-8,11H2,1H3	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	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta by time-resolved FRET displacement assay				Bioorg Med Chem Lett 22: 2230-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.092 BindingDB Entry DOI: 10.7270/Q2GH9JF0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50365869 (CHEMBL1957858) Show SMILES CCc1cn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F Show InChI InChI=1S/C21H23F3N4O2/c1-3-16-13-28-19(29)11-18(26-7-9-30-10-8-26)25-20(28)27(16)12-15-5-4-6-17(14(15)2)21(22,23)24/h4-6,11,13H,3,7-10,12H2,1-2H3	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta by time-resolved FRET displacement assay				Bioorg Med Chem Lett 22: 2230-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.092 BindingDB Entry DOI: 10.7270/Q2GH9JF0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50420309 (CHEMBL2089120) Show SMILES Cc1c(Cl)cccc1Cn1c(N)nc(=O)c2sc(nc12)N1CCOCC1 Show InChI InChI=1S/C17H18ClN5O2S/c1-10-11(3-2-4-12(10)18)9-23-14-13(15(24)21-16(23)19)26-17(20-14)22-5-7-25-8-6-22/h2-4H,5-9H2,1H3,(H2,19,21,24)	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
TBA Curated by ChEMBL					Assay Description Inhibition of PI3K delta by continuous TR-FRET assay				ACS Med Chem Lett 3: 524-529 (2012) Article DOI: 10.1021/ml300045b BindingDB Entry DOI: 10.7270/Q2J967PT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50365865 (CHEMBL1957841) Show SMILES O=c1cc(nc2n(Cc3cccc4ccccc34)ccn12)N1CCOCC1 Show InChI InChI=1S/C21H20N4O2/c26-20-14-19(23-10-12-27-13-11-23)22-21-24(8-9-25(20)21)15-17-6-3-5-16-4-1-2-7-18(16)17/h1-9,14H,10-13,15H2	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta by time-resolved FRET displacement assay				Bioorg Med Chem Lett 22: 2230-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.092 BindingDB Entry DOI: 10.7270/Q2GH9JF0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50420321 (CHEMBL2089112) Show SMILES Cc1c(Cn2c(CO)nc(=O)c3sc(nc23)N2CCOCC2)cccc1C(F)(F)F Show InChI InChI=1S/C19H19F3N4O3S/c1-11-12(3-2-4-13(11)19(20,21)22)9-26-14(10-27)23-17(28)15-16(26)24-18(30-15)25-5-7-29-8-6-25/h2-4,27H,5-10H2,1H3	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	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3K delta by continuous TR-FRET assay				ACS Med Chem Lett 3: 524-529 (2012) Article DOI: 10.1021/ml300045b BindingDB Entry DOI: 10.7270/Q2J967PT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50365866 (CHEMBL1957855) Show SMILES Cc1c(Cn2ccn3c2nc(cc3=O)N2CCOCC2)cccc1C(F)(F)F Show InChI InChI=1S/C19H19F3N4O2/c1-13-14(3-2-4-15(13)19(20,21)22)12-25-5-6-26-17(27)11-16(23-18(25)26)24-7-9-28-10-8-24/h2-6,11H,7-10,12H2,1H3	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	3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta by time-resolved FRET displacement assay				Bioorg Med Chem Lett 22: 2230-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.092 BindingDB Entry DOI: 10.7270/Q2GH9JF0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50420324 (CHEMBL2089105) Show SMILES Cc1c(Cl)cccc1Cn1cnc(=O)c2sc(nc12)N1CCOCC1 Show InChI InChI=1S/C17H17ClN4O2S/c1-11-12(3-2-4-13(11)18)9-22-10-19-16(23)14-15(22)20-17(25-14)21-5-7-24-8-6-21/h2-4,10H,5-9H2,1H3	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	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3K beta by continuous TR-FRET assay				ACS Med Chem Lett 3: 524-529 (2012) Article DOI: 10.1021/ml300045b BindingDB Entry DOI: 10.7270/Q2J967PT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50420325 (CHEMBL2089104) Show SMILES Cc1c(Cn2cnc(=O)c3sc(nc23)N2CCOCC2)cccc1C(F)(F)F Show InChI InChI=1S/C18H17F3N4O2S/c1-11-12(3-2-4-13(11)18(19,20)21)9-25-10-22-16(26)14-15(25)23-17(28-14)24-5-7-27-8-6-24/h2-4,10H,5-9H2,1H3	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	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3K beta by continuous TR-FRET assay				ACS Med Chem Lett 3: 524-529 (2012) Article DOI: 10.1021/ml300045b BindingDB Entry DOI: 10.7270/Q2J967PT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50420322 (CHEMBL2089111) Show SMILES Cc1c(Cn2c(Cc3ccccc3)nc(=O)c3sc(nc23)N2CCOCC2)cccc1C(F)(F)F Show InChI InChI=1S/C25H23F3N4O2S/c1-16-18(8-5-9-19(16)25(26,27)28)15-32-20(14-17-6-3-2-4-7-17)29-23(33)21-22(32)30-24(35-21)31-10-12-34-13-11-31/h2-9H,10-15H2,1H3	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	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3K beta by continuous TR-FRET assay				ACS Med Chem Lett 3: 524-529 (2012) Article DOI: 10.1021/ml300045b BindingDB Entry DOI: 10.7270/Q2J967PT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50420320 (CHEMBL2089113) Show SMILES Cc1c(Cn2c(CN)nc(=O)c3sc(nc23)N2CCOCC2)cccc1C(F)(F)F Show InChI InChI=1S/C19H20F3N5O2S/c1-11-12(3-2-4-13(11)19(20,21)22)10-27-14(9-23)24-17(28)15-16(27)25-18(30-15)26-5-7-29-8-6-26/h2-4H,5-10,23H2,1H3	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	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3K beta by continuous TR-FRET assay				ACS Med Chem Lett 3: 524-529 (2012) Article DOI: 10.1021/ml300045b BindingDB Entry DOI: 10.7270/Q2J967PT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50365882 (CHEMBL1957870) Show SMILES C[C@@H]1CN(CCO1)c1cc(=O)n2ccn(Cc3cccc(c3C)C(F)(F)F)c2n1 |r| Show InChI InChI=1S/C20H21F3N4O2/c1-13-11-25(8-9-29-13)17-10-18(28)27-7-6-26(19(27)24-17)12-15-4-3-5-16(14(15)2)20(21,22)23/h3-7,10,13H,8-9,11-12H2,1-2H3/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta by time-resolved FRET displacement assay				Bioorg Med Chem Lett 22: 2230-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.092 BindingDB Entry DOI: 10.7270/Q2GH9JF0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50365873 (CHEMBL1957862) Show SMILES O=c1cc(nc2n(Cc3cccc4ccccc34)c3ccccc3n12)N1CCOCC1 Show InChI InChI=1S/C25H22N4O2/c30-24-16-23(27-12-14-31-15-13-27)26-25-28(21-10-3-4-11-22(21)29(24)25)17-19-8-5-7-18-6-1-2-9-20(18)19/h1-11,16H,12-15,17H2	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta by time-resolved FRET displacement assay				Bioorg Med Chem Lett 22: 2230-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.092 BindingDB Entry DOI: 10.7270/Q2GH9JF0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50420318 (CHEMBL2089117) Show SMILES Cc1c(Cl)cccc1Cn1c2nc(sc2c(=O)[nH]c1=S)N1CCOCC1 Show InChI InChI=1S/C17H17ClN4O2S2/c1-10-11(3-2-4-12(10)18)9-22-14-13(15(23)20-16(22)25)26-17(19-14)21-5-7-24-8-6-21/h2-4H,5-9H2,1H3,(H,20,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3K beta by continuous TR-FRET assay				ACS Med Chem Lett 3: 524-529 (2012) Article DOI: 10.1021/ml300045b BindingDB Entry DOI: 10.7270/Q2J967PT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50365880 (CHEMBL1957868) Show SMILES CC1CN(CCO1)c1cc(=O)n2ccn(Cc3cccc(c3C)C(F)(F)F)c2n1 Show InChI InChI=1S/C20H21F3N4O2/c1-13-11-25(8-9-29-13)17-10-18(28)27-7-6-26(19(27)24-17)12-15-4-3-5-16(14(15)2)20(21,22)23/h3-7,10,13H,8-9,11-12H2,1-2H3	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta by time-resolved FRET displacement assay				Bioorg Med Chem Lett 22: 2230-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.092 BindingDB Entry DOI: 10.7270/Q2GH9JF0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50365890 (CHEMBL1957875) Show SMILES C[C@@H](Nc1ccccc1)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 |r| Show InChI InChI=1S/C21H24N4O2/c1-15-12-18(16(2)22-17-6-4-3-5-7-17)21-23-19(13-20(26)25(21)14-15)24-8-10-27-11-9-24/h3-7,12-14,16,22H,8-11H2,1-2H3/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta				Bioorg Med Chem Lett 22: 2230-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.092 BindingDB Entry DOI: 10.7270/Q2GH9JF0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50365872 (CHEMBL1957861) Show SMILES Cc1c(C)n2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F Show InChI InChI=1S/C21H23F3N4O2/c1-13-16(5-4-6-17(13)21(22,23)24)12-27-14(2)15(3)28-19(29)11-18(25-20(27)28)26-7-9-30-10-8-26/h4-6,11H,7-10,12H2,1-3H3	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	6	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta by time-resolved FRET displacement assay				Bioorg Med Chem Lett 22: 2230-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.092 BindingDB Entry DOI: 10.7270/Q2GH9JF0
					More data for this Ligand-Target Pair
Hexokinase-1 (Homo sapiens (Human))	BDBM50169033 (CHEMBL3806069) Show SMILES OC1O[C@H](CNS(=O)(=O)c2ccc(cc2)C#N)[C@@H](O)[C@H](O)[C@H]1NC(=O)c1cccc(c1)-c1ccccc1 |r| Show InChI InChI=1S/C26H25N3O7S/c27-14-16-9-11-20(12-10-16)37(34,35)28-15-21-23(30)24(31)22(26(33)36-21)29-25(32)19-8-4-7-18(13-19)17-5-2-1-3-6-17/h1-13,21-24,26,28,30-31,33H,15H2,(H,29,32)/t21-,22-,23-,24-,26?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of His-tagged human HK1 (11 to 917 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...				ACS Med Chem Lett 7: 217-22 (2016) Article DOI: 10.1021/acsmedchemlett.5b00214 BindingDB Entry DOI: 10.7270/Q2PR7XWW
					More data for this Ligand-Target Pair
Hexokinase-1 (Homo sapiens (Human))	BDBM50169038 (CHEMBL3804841) Show SMILES COc1cc(cc(c1)-c1ccc(cc1)C#N)C(=O)N[C@H]1C(O)O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C27H25Cl2N3O8S/c1-39-18-10-16(15-7-5-14(12-30)6-8-15)9-17(11-18)26(35)32-23-25(34)24(33)20(40-27(23)36)13-31-41(37,38)21-4-2-3-19(28)22(21)29/h2-11,20,23-25,27,31,33-34,36H,13H2,1H3,(H,32,35)/t20-,23-,24-,25-,27?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of His-tagged human HK1 (11 to 917 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...				ACS Med Chem Lett 7: 217-22 (2016) Article DOI: 10.1021/acsmedchemlett.5b00214 BindingDB Entry DOI: 10.7270/Q2PR7XWW
					More data for this Ligand-Target Pair
Hexokinase-2 (Homo sapiens (Human))	BDBM50169042 (CHEMBL3806103) Show SMILES OC1O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@H](O)[C@H]1NS(=O)(=O)c1cccc(c1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C24H23Cl3N2O8S2/c25-15-9-7-13(8-10-15)14-3-1-4-16(11-14)38(33,34)29-21-23(31)22(30)18(37-24(21)32)12-28-39(35,36)19-6-2-5-17(26)20(19)27/h1-11,18,21-24,28-32H,12H2/t18-,21-,22-,23-,24?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...				ACS Med Chem Lett 7: 217-22 (2016) Article DOI: 10.1021/acsmedchemlett.5b00214 BindingDB Entry DOI: 10.7270/Q2PR7XWW
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50420319 (CHEMBL2089115) Show SMILES Cc1c(Cl)cccc1Cn1c2nc(sc2c(=O)[nH]c1=O)N1CCOCC1 Show InChI InChI=1S/C17H17ClN4O3S/c1-10-11(3-2-4-12(10)18)9-22-14-13(15(23)20-16(22)24)26-17(19-14)21-5-7-25-8-6-21/h2-4H,5-9H2,1H3,(H,20,23,24)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3K beta by continuous TR-FRET assay				ACS Med Chem Lett 3: 524-529 (2012) Article DOI: 10.1021/ml300045b BindingDB Entry DOI: 10.7270/Q2J967PT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50365870 (CHEMBL1957859) Show SMILES Clc1cccc(Cn2c3ccccc3n3c2nc(cc3=O)N2CCOCC2)c1Cl Show InChI InChI=1S/C21H18Cl2N4O2/c22-15-5-3-4-14(20(15)23)13-26-16-6-1-2-7-17(16)27-19(28)12-18(24-21(26)27)25-8-10-29-11-9-25/h1-7,12H,8-11,13H2	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta by time-resolved FRET displacement assay				Bioorg Med Chem Lett 22: 2230-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.092 BindingDB Entry DOI: 10.7270/Q2GH9JF0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50365868 (CHEMBL1957857) Show SMILES Cc1cn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F Show InChI InChI=1S/C20H21F3N4O2/c1-13-11-27-18(28)10-17(25-6-8-29-9-7-25)24-19(27)26(13)12-15-4-3-5-16(14(15)2)20(21,22)23/h3-5,10-11H,6-9,12H2,1-2H3	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta by time-resolved FRET displacement assay				Bioorg Med Chem Lett 22: 2230-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.092 BindingDB Entry DOI: 10.7270/Q2GH9JF0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50420314 (CHEMBL2089107) Show SMILES Cc1nc(=O)c2sc(nc2n1Cc1cccc(Cl)c1C)N1CCOCC1 Show InChI InChI=1S/C18H19ClN4O2S/c1-11-13(4-3-5-14(11)19)10-23-12(2)20-17(24)15-16(23)21-18(26-15)22-6-8-25-9-7-22/h3-5H,6-10H2,1-2H3	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
TBA Curated by ChEMBL					Assay Description Inhibition of PI3K delta by continuous TR-FRET assay				ACS Med Chem Lett 3: 524-529 (2012) Article DOI: 10.1021/ml300045b BindingDB Entry DOI: 10.7270/Q2J967PT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50420310 (CHEMBL2089116) Show SMILES COc1nc(=O)c2sc(nc2n1Cc1cccc(Cl)c1C)N1CCOCC1 Show InChI InChI=1S/C18H19ClN4O3S/c1-11-12(4-3-5-13(11)19)10-23-15-14(16(24)21-17(23)25-2)27-18(20-15)22-6-8-26-9-7-22/h3-5H,6-10H2,1-2H3	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
TBA Curated by ChEMBL					Assay Description Inhibition of PI3K delta by continuous TR-FRET assay				ACS Med Chem Lett 3: 524-529 (2012) Article DOI: 10.1021/ml300045b BindingDB Entry DOI: 10.7270/Q2J967PT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50420317 (CHEMBL2089118) Show SMILES CSc1nc(=O)c2sc(nc2n1Cc1cccc(Cl)c1C)N1CCOCC1 Show InChI InChI=1S/C18H19ClN4O2S2/c1-11-12(4-3-5-13(11)19)10-23-15-14(16(24)21-18(23)26-2)27-17(20-15)22-6-8-25-9-7-22/h3-5H,6-10H2,1-2H3	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
TBA Curated by ChEMBL					Assay Description Inhibition of PI3K delta by continuous TR-FRET assay				ACS Med Chem Lett 3: 524-529 (2012) Article DOI: 10.1021/ml300045b BindingDB Entry DOI: 10.7270/Q2J967PT
					More data for this Ligand-Target Pair
Hexokinase-2 (Homo sapiens (Human))	BDBM50169037 (CHEMBL3805205) Show SMILES Cc1oc(cc1C(O)=O)S(=O)(=O)NC[C@H]1OC(O)[C@H](NC(=O)c2cccc(Br)c2)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C19H21BrN2O10S/c1-8-11(18(26)27)6-13(31-8)33(29,30)21-7-12-15(23)16(24)14(19(28)32-12)22-17(25)9-3-2-4-10(20)5-9/h2-6,12,14-16,19,21,23-24,28H,7H2,1H3,(H,22,25)(H,26,27)/t12-,14-,15-,16-,19?/m1/s1	PDB UniProtKB/SwissProt 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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of His-tagged human HK2 (17 to 916 residues) expressed in Escherichia coli BL21(DE3) using glucose as substrate after 45 mins by ADP-glo a...				ACS Med Chem Lett 7: 217-22 (2016) Article DOI: 10.1021/acsmedchemlett.5b00214 BindingDB Entry DOI: 10.7270/Q2PR7XWW
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50420326 (CHEMBL2089103) Show SMILES Clc1cccc(Cn2cnc(=O)c3sc(nc23)N2CCOCC2)c1Cl Show InChI InChI=1S/C16H14Cl2N4O2S/c17-11-3-1-2-10(12(11)18)8-22-9-19-15(23)13-14(22)20-16(25-13)21-4-6-24-7-5-21/h1-3,9H,4-8H2	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
TBA Curated by ChEMBL					Assay Description Inhibition of PI3K beta by continuous TR-FRET assay				ACS Med Chem Lett 3: 524-529 (2012) Article DOI: 10.1021/ml300045b BindingDB Entry DOI: 10.7270/Q2J967PT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50365884 (CHEMBL1957872) Show SMILES Cc1c(Cn2ccn3c2nc(cc3=O)C2=CCOCC2)cccc1C(F)(F)F |t:16| Show InChI InChI=1S/C20H18F3N3O2/c1-13-15(3-2-4-16(13)20(21,22)23)12-25-7-8-26-18(27)11-17(24-19(25)26)14-5-9-28-10-6-14/h2-5,7-8,11H,6,9-10,12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta by time-resolved FRET displacement assay				Bioorg Med Chem Lett 22: 2230-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.092 BindingDB Entry DOI: 10.7270/Q2GH9JF0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50365880 (CHEMBL1957868) Show SMILES CC1CN(CCO1)c1cc(=O)n2ccn(Cc3cccc(c3C)C(F)(F)F)c2n1 Show InChI InChI=1S/C20H21F3N4O2/c1-13-11-25(8-9-29-13)17-10-18(28)27-7-6-26(19(27)24-17)12-15-4-3-5-16(14(15)2)20(21,22)23/h3-7,10,13H,8-9,11-12H2,1-2H3	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta by time-resolved FRET displacement assay				Bioorg Med Chem Lett 22: 2230-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.092 BindingDB Entry DOI: 10.7270/Q2GH9JF0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50420313 (CHEMBL2089108) Show SMILES CCc1nc(=O)c2sc(nc2n1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1 Show InChI InChI=1S/C20H21F3N4O2S/c1-3-15-24-18(28)16-17(25-19(30-16)26-7-9-29-10-8-26)27(15)11-13-5-4-6-14(12(13)2)20(21,22)23/h4-6H,3,7-11H2,1-2H3	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
TBA Curated by ChEMBL					Assay Description Inhibition of PI3K delta by continuous TR-FRET assay				ACS Med Chem Lett 3: 524-529 (2012) Article DOI: 10.1021/ml300045b BindingDB Entry DOI: 10.7270/Q2J967PT
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50365864 (CHEMBL1957840) Show SMILES Clc1cccc(Cn2ccn3c2nc(cc3=O)N2CCOCC2)c1Cl Show InChI InChI=1S/C17H16Cl2N4O2/c18-13-3-1-2-12(16(13)19)11-22-4-5-23-15(24)10-14(20-17(22)23)21-6-8-25-9-7-21/h1-5,10H,6-9,11H2	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta by time-resolved FRET displacement assay				Bioorg Med Chem Lett 22: 2230-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.092 BindingDB Entry DOI: 10.7270/Q2GH9JF0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50365871 (CHEMBL1957860) Show SMILES Cc1c(C)n2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(Cl)c1Cl Show InChI InChI=1S/C19H20Cl2N4O2/c1-12-13(2)25-17(26)10-16(23-6-8-27-9-7-23)22-19(25)24(12)11-14-4-3-5-15(20)18(14)21/h3-5,10H,6-9,11H2,1-2H3	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
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta by time-resolved FRET displacement assay				Bioorg Med Chem Lett 22: 2230-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.092 BindingDB Entry DOI: 10.7270/Q2GH9JF0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50365878 (CHEMBL1957866) Show SMILES CC1CN(CCO1)c1cc(=O)n2ccn(Cc3cccc(Cl)c3Cl)c2n1 Show InChI InChI=1S/C18H18Cl2N4O2/c1-12-10-22(7-8-26-12)15-9-16(25)24-6-5-23(18(24)21-15)11-13-3-2-4-14(19)17(13)20/h2-6,9,12H,7-8,10-11H2,1H3	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	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta by time-resolved FRET displacement assay				Bioorg Med Chem Lett 22: 2230-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.092 BindingDB Entry DOI: 10.7270/Q2GH9JF0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50365878 (CHEMBL1957866) Show SMILES CC1CN(CCO1)c1cc(=O)n2ccn(Cc3cccc(Cl)c3Cl)c2n1 Show InChI InChI=1S/C18H18Cl2N4O2/c1-12-10-22(7-8-26-12)15-9-16(25)24-6-5-23(18(24)21-15)11-13-3-2-4-14(19)17(13)20/h2-6,9,12H,7-8,10-11H2,1H3	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	13	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta by time-resolved FRET displacement assay				Bioorg Med Chem Lett 22: 2230-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.092 BindingDB Entry DOI: 10.7270/Q2GH9JF0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50365878 (CHEMBL1957866) Show SMILES CC1CN(CCO1)c1cc(=O)n2ccn(Cc3cccc(Cl)c3Cl)c2n1 Show InChI InChI=1S/C18H18Cl2N4O2/c1-12-10-22(7-8-26-12)15-9-16(25)24-6-5-23(18(24)21-15)11-13-3-2-4-14(19)17(13)20/h2-6,9,12H,7-8,10-11H2,1H3	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	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta by time-resolved FRET displacement assay				Bioorg Med Chem Lett 22: 2230-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.092 BindingDB Entry DOI: 10.7270/Q2GH9JF0
					More data for this Ligand-Target Pair

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