Compile Data Set for Download or QSAR

Found 99 hits with Last Name = 'pollastri' and Initial = 'mp'   

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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8136 (N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{pyrazolo[1...) Show SMILES C1COc2cc(Nc3nccc(n3)-c3cnn4ncccc34)ccc2O1 Show InChI InChI=1S/C18H14N6O2/c1-2-15-13(11-21-24(15)20-6-1)14-5-7-19-18(23-14)22-12-3-4-16-17(10-12)26-9-8-25-16/h1-7,10-11H,8-9H2,(H,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human GSK3beta using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate af...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8146 (N-(3,5-dimethylphenyl)-4-{pyrazolo[1,5-a]pyridazin...) Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1 Show InChI InChI=1S/C18H16N6/c1-12-8-13(2)10-14(9-12)22-18-19-7-5-16(23-18)15-11-21-24-17(15)4-3-6-20-24/h3-11H,1-2H3,(H,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human GSK3beta using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate af...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8128 (N-(3-methoxyphenyl)-4-{pyrazolo[1,5-a]pyridazin-3-...) Show SMILES COc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1 Show InChI InChI=1S/C17H14N6O/c1-24-13-5-2-4-12(10-13)21-17-18-9-7-15(22-17)14-11-20-23-16(14)6-3-8-19-23/h2-11H,1H3,(H,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human CDK2 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8137 (N-(3,4-difluorophenyl)-4-{pyrazolo[1,5-a]pyridazin...) Show SMILES Fc1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1F Show InChI InChI=1S/C16H10F2N6/c17-12-4-3-10(8-13(12)18)22-16-19-7-5-14(23-16)11-9-21-24-15(11)2-1-6-20-24/h1-9H,(H,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human CDK2 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8146 (N-(3,5-dimethylphenyl)-4-{pyrazolo[1,5-a]pyridazin...) Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1 Show InChI InChI=1S/C18H16N6/c1-12-8-13(2)10-14(9-12)22-18-19-7-5-16(23-18)15-11-21-24-17(15)4-3-6-20-24/h3-11H,1-2H3,(H,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human CDK2 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50441529 (CHEMBL2436771) Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)[C@H]2CC=CC[C@@H]12 |r,c:43,t:28| Show InChI InChI=1S/C33H40N6O4/c1-41-29-19-16-24(31-27-12-6-7-13-28(27)33(40)39(36-31)25-10-4-2-3-5-11-25)22-30(29)43-21-9-8-20-42-26-17-14-23(15-18-26)32-34-37-38-35-32/h6-7,14-19,22,25,27-28H,2-5,8-13,20-21H2,1H3,(H,34,35,37,38)/t27-,28+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD 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
Northeastern University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei PDEB1				Bioorg Med Chem Lett 23: 5971-4 (2013) Article DOI: 10.1016/j.bmcl.2013.08.057 BindingDB Entry DOI: 10.7270/Q22B90GC
					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	5	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR assessed as inhibition of 4EBP1 phosphorylation after 30 mins by TR-FRET analysis				J Med Chem 57: 4834-48 (2014) Article DOI: 10.1021/jm500361r BindingDB Entry DOI: 10.7270/Q2CJ8G1T
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8126 (N-phenyl-4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidi...) Show SMILES N(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12 Show InChI InChI=1S/C16H12N6/c1-2-5-12(6-3-1)20-16-17-10-8-14(21-16)13-11-19-22-15(13)7-4-9-18-22/h1-11H,(H,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human CDK2 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8136 (N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{pyrazolo[1...) Show SMILES C1COc2cc(Nc3nccc(n3)-c3cnn4ncccc34)ccc2O1 Show InChI InChI=1S/C18H14N6O2/c1-2-15-13(11-21-24(15)20-6-1)14-5-7-19-18(23-14)22-12-3-4-16-17(10-12)26-9-8-25-16/h1-7,10-11H,8-9H2,(H,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human CDK2 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8137 (N-(3,4-difluorophenyl)-4-{pyrazolo[1,5-a]pyridazin...) Show SMILES Fc1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1F Show InChI InChI=1S/C16H10F2N6/c17-12-4-3-10(8-13(12)18)22-16-19-7-5-14(23-16)11-9-21-24-15(11)2-1-6-20-24/h1-9H,(H,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human GSK3beta using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate af...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8128 (N-(3-methoxyphenyl)-4-{pyrazolo[1,5-a]pyridazin-3-...) Show SMILES COc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1 Show InChI InChI=1S/C17H14N6O/c1-24-13-5-2-4-12(10-13)21-17-18-9-7-15(22-17)14-11-20-23-16(14)6-3-8-19-23/h2-11H,1H3,(H,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human GSK3beta using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate af...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50506295 (GW801372X) Show SMILES COc1cc(Nc2nccc(n2)-c2cnn3ncccc23)cc(OC)c1 Show InChI InChI=1S/C18H16N6O2/c1-25-13-8-12(9-14(10-13)26-2)22-18-19-7-5-16(23-18)15-11-21-24-17(15)4-3-6-20-24/h3-11H,1-2H3,(H,19,22,23)	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human GSK3beta using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate af...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (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	13	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human PI3K-delta assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis				J Med Chem 57: 4834-48 (2014) Article DOI: 10.1021/jm500361r BindingDB Entry DOI: 10.7270/Q2CJ8G1T
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50506295 (GW801372X) Show SMILES COc1cc(Nc2nccc(n2)-c2cnn3ncccc23)cc(OC)c1 Show InChI InChI=1S/C18H16N6O2/c1-25-13-8-12(9-14(10-13)26-2)22-18-19-7-5-16(23-18)15-11-21-24-17(15)4-3-6-20-24/h3-11H,1-2H3,(H,19,22,23)	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human CDK2 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (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	20	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human PI3K-alpha assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis				J Med Chem 57: 4834-48 (2014) Article DOI: 10.1021/jm500361r BindingDB Entry DOI: 10.7270/Q2CJ8G1T
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50506295 (GW801372X) Show SMILES COc1cc(Nc2nccc(n2)-c2cnn3ncccc23)cc(OC)c1 Show InChI InChI=1S/C18H16N6O2/c1-25-13-8-12(9-14(10-13)26-2)22-18-19-7-5-16(23-18)15-11-21-24-17(15)4-3-6-20-24/h3-11H,1-2H3,(H,19,22,23)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human CDK4 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8126 (N-phenyl-4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidi...) Show SMILES N(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12 Show InChI InChI=1S/C16H12N6/c1-2-5-12(6-3-1)20-16-17-10-8-14(21-16)13-11-19-22-15(13)7-4-9-18-22/h1-11H,(H,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human GSK3beta using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate af...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B (Homo sapiens (Human))	BDBM50058062 (CHEMBL3323128) Show SMILES COc1ccc(cc1OCCCCOc1ccccc1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:23.28,20.31,(6.34,-9.24,;6.35,-7.7,;7.68,-6.93,;9.01,-7.7,;10.35,-6.93,;10.35,-5.38,;9.01,-4.62,;7.68,-5.39,;6.35,-4.62,;6.35,-3.08,;5.01,-2.31,;5.01,-.77,;3.68,-0,;2.35,-.77,;1.01,-0,;1.02,1.54,;-.32,2.31,;-1.66,1.54,;-1.65,-.01,;-.31,-.77,;11.68,-4.61,;13.01,-5.38,;14.33,-4.61,;14.34,-3.07,;13,-2.3,;11.66,-3.07,;15.67,-2.29,;17.01,-3.06,;15.67,-.75,;11.67,-6.14,;11.66,-7.68,)| Show InChI InChI=1S/C25H29NO5/c1-29-22-10-9-20(25(18-26)13-11-19(12-14-25)24(27)28)17-23(22)31-16-6-5-15-30-21-7-3-2-4-8-21/h2-4,7-10,17,19H,5-6,11-16H2,1H3,(H,27,28)/t19-,25-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human PDE4B expressed in Sf21 cells using cAMP substrate by scintillation proximity assay				Bioorg Med Chem Lett 24: 4084-9 (2014) Article DOI: 10.1016/j.bmcl.2014.07.063 BindingDB Entry DOI: 10.7270/Q26D5VNC
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8197 (4-{6-methyl-2-phenylpyrazolo[1,5-a]pyridazin-3-yl}...) Show SMILES Cc1ccc2c(c(nn2n1)-c1ccccc1)-c1ccnc(Nc2cccc(c2)C(F)(F)F)n1 Show InChI InChI=1S/C24H17F3N6/c1-15-10-11-20-21(22(32-33(20)31-15)16-6-3-2-4-7-16)19-12-13-28-23(30-19)29-18-9-5-8-17(14-18)24(25,26)27/h2-14H,1H3,(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human GSK3beta using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate af...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8189 (N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{2-[3-(trif...) Show SMILES FC(F)(F)c1cccc(c1)-c1nn2ncccc2c1-c1ccnc(Nc2ccc3OCCOc3c2)n1 Show InChI InChI=1S/C25H17F3N6O2/c26-25(27,28)16-4-1-3-15(13-16)23-22(19-5-2-9-30-34(19)33-23)18-8-10-29-24(32-18)31-17-6-7-20-21(14-17)36-12-11-35-20/h1-10,13-14H,11-12H2,(H,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human GSK3beta using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate af...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8133 (N-(4-tert-butylphenyl)-4-{pyrazolo[1,5-a]pyridazin...) Show SMILES CC(C)(C)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1 Show InChI InChI=1S/C20H20N6/c1-20(2,3)14-6-8-15(9-7-14)24-19-21-12-10-17(25-19)16-13-23-26-18(16)5-4-11-22-26/h4-13H,1-3H3,(H,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human GSK3beta using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate af...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM8152 (4-{6-methoxypyrazolo[1,5-a]pyridazin-3-yl}-N-[3-(t...) Show SMILES COc1ccc2c(cnn2n1)-c1ccnc(Nc2cccc(OC(F)(F)F)c2)n1 Show InChI InChI=1S/C18H13F3N6O2/c1-28-16-6-5-15-13(10-23-27(15)26-16)14-7-8-22-17(25-14)24-11-3-2-4-12(9-11)29-18(19,20)21/h2-10H,1H3,(H,22,24,25)	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	50	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human GSK3beta using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate af...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM8128 (N-(3-methoxyphenyl)-4-{pyrazolo[1,5-a]pyridazin-3-...) Show SMILES COc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1 Show InChI InChI=1S/C17H14N6O/c1-24-13-5-2-4-12(10-13)21-17-18-9-7-15(22-17)14-11-20-23-16(14)6-3-8-19-23/h2-11H,1H3,(H,18,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human CDK4 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (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	100	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human PI3K-gamma assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis				J Med Chem 57: 4834-48 (2014) Article DOI: 10.1021/jm500361r BindingDB Entry DOI: 10.7270/Q2CJ8G1T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50018265 (CHEMBL3290293) Show SMILES Cn1cc(cn1)-c1ccc2ncc3n(C)c(=O)n(-c4ccc(cc4)C(C)(C)C#N)c3c2c1 Show InChI InChI=1S/C25H22N6O/c1-25(2,15-26)18-6-8-19(9-7-18)31-23-20-11-16(17-12-28-29(3)14-17)5-10-21(20)27-13-22(23)30(4)24(31)32/h5-14H,1-4H3	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	126	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human PI3K-gamma assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis				J Med Chem 57: 4834-48 (2014) Article DOI: 10.1021/jm500361r BindingDB Entry DOI: 10.7270/Q2CJ8G1T
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM8126 (N-phenyl-4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidi...) Show SMILES N(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12 Show InChI InChI=1S/C16H12N6/c1-2-5-12(6-3-1)20-16-17-10-8-14(21-16)13-11-19-22-15(13)7-4-9-18-22/h1-11H,(H,17,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human CDK4 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8133 (N-(4-tert-butylphenyl)-4-{pyrazolo[1,5-a]pyridazin...) Show SMILES CC(C)(C)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1 Show InChI InChI=1S/C20H20N6/c1-20(2,3)14-6-8-15(9-7-14)24-19-21-12-10-17(25-19)16-13-23-26-18(16)5-4-11-22-26/h4-13H,1-3H3,(H,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human CDK2 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8152 (4-{6-methoxypyrazolo[1,5-a]pyridazin-3-yl}-N-[3-(t...) Show SMILES COc1ccc2c(cnn2n1)-c1ccnc(Nc2cccc(OC(F)(F)F)c2)n1 Show InChI InChI=1S/C18H13F3N6O2/c1-28-16-6-5-15-13(10-23-27(15)26-16)14-7-8-22-17(25-14)24-11-3-2-4-12(9-11)29-18(19,20)21/h2-10H,1H3,(H,22,24,25)	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	200	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human CDK2 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50018267 (CHEMBL3290305) Show SMILES Cc1ccc(cc1)-n1c2c(cnc3ccc(cc23)-c2ccncc2)n(C)c1=O Show InChI InChI=1S/C23H18N4O/c1-15-3-6-18(7-4-15)27-22-19-13-17(16-9-11-24-12-10-16)5-8-20(19)25-14-21(22)26(2)23(27)28/h3-14H,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	251	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human PI3K-gamma assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis				J Med Chem 57: 4834-48 (2014) Article DOI: 10.1021/jm500361r BindingDB Entry DOI: 10.7270/Q2CJ8G1T
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50441528 (CHEMBL2436772) Show SMILES COc1ccc(cc1OC1CCCC1)C1=NN(C[C@H]2CC=CC[C@@H]12)C1CCCC1 |r,c:22,t:16| Show InChI InChI=1S/C25H34N2O2/c1-28-23-15-14-18(16-24(23)29-21-11-5-6-12-21)25-22-13-7-2-8-19(22)17-27(26-25)20-9-3-4-10-20/h2,7,14-16,19-22H,3-6,8-13,17H2,1H3/t19-,22-/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	278	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei PDEB1				Bioorg Med Chem Lett 23: 5971-4 (2013) Article DOI: 10.1016/j.bmcl.2013.08.057 BindingDB Entry DOI: 10.7270/Q22B90GC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50018268 (CHEMBL3290307) Show SMILES COc1ccc(cc1)-n1c2c(cnc3ccc(cc23)-c2ccncc2)n(C)c1=O Show InChI InChI=1S/C23H18N4O2/c1-26-21-14-25-20-8-3-16(15-9-11-24-12-10-15)13-19(20)22(21)27(23(26)28)17-4-6-18(29-2)7-5-17/h3-14H,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	316	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human PI3K-gamma assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis				J Med Chem 57: 4834-48 (2014) Article DOI: 10.1021/jm500361r BindingDB Entry DOI: 10.7270/Q2CJ8G1T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (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	316	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human PI3K-beta assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis				J Med Chem 57: 4834-48 (2014) Article DOI: 10.1021/jm500361r BindingDB Entry DOI: 10.7270/Q2CJ8G1T
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM8136 (N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{pyrazolo[1...) Show SMILES C1COc2cc(Nc3nccc(n3)-c3cnn4ncccc34)ccc2O1 Show InChI InChI=1S/C18H14N6O2/c1-2-15-13(11-21-24(15)20-6-1)14-5-7-19-18(23-14)22-12-3-4-16-17(10-12)26-9-8-25-16/h1-7,10-11H,8-9H2,(H,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human CDK4 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50018268 (CHEMBL3290307) Show SMILES COc1ccc(cc1)-n1c2c(cnc3ccc(cc23)-c2ccncc2)n(C)c1=O Show InChI InChI=1S/C23H18N4O2/c1-26-21-14-25-20-8-3-16(15-9-11-24-12-10-15)13-19(20)22(21)27(23(26)28)17-4-6-18(29-2)7-5-17/h3-14H,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	380	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR assessed as inhibition of 4EBP1 phosphorylation after 30 mins by TR-FRET analysis				J Med Chem 57: 4834-48 (2014) Article DOI: 10.1021/jm500361r BindingDB Entry DOI: 10.7270/Q2CJ8G1T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50018265 (CHEMBL3290293) Show SMILES Cn1cc(cn1)-c1ccc2ncc3n(C)c(=O)n(-c4ccc(cc4)C(C)(C)C#N)c3c2c1 Show InChI InChI=1S/C25H22N6O/c1-25(2,15-26)18-6-8-19(9-7-18)31-23-20-11-16(17-12-28-29(3)14-17)5-10-21(20)27-13-22(23)30(4)24(31)32/h5-14H,1-4H3	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	398	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human PI3K-alpha assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis				J Med Chem 57: 4834-48 (2014) Article DOI: 10.1021/jm500361r BindingDB Entry DOI: 10.7270/Q2CJ8G1T
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50018267 (CHEMBL3290305) Show SMILES Cc1ccc(cc1)-n1c2c(cnc3ccc(cc23)-c2ccncc2)n(C)c1=O Show InChI InChI=1S/C23H18N4O/c1-15-3-6-18(7-4-15)27-22-19-13-17(16-9-11-24-12-10-16)5-8-20(19)25-14-21(22)26(2)23(27)28/h3-14H,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	468	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR assessed as inhibition of 4EBP1 phosphorylation after 30 mins by TR-FRET analysis				J Med Chem 57: 4834-48 (2014) Article DOI: 10.1021/jm500361r BindingDB Entry DOI: 10.7270/Q2CJ8G1T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50018268 (CHEMBL3290307) Show SMILES COc1ccc(cc1)-n1c2c(cnc3ccc(cc23)-c2ccncc2)n(C)c1=O Show InChI InChI=1S/C23H18N4O2/c1-26-21-14-25-20-8-3-16(15-9-11-24-12-10-15)13-19(20)22(21)27(23(26)28)17-4-6-18(29-2)7-5-17/h3-14H,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	501	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human PI3K-alpha assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis				J Med Chem 57: 4834-48 (2014) Article DOI: 10.1021/jm500361r BindingDB Entry DOI: 10.7270/Q2CJ8G1T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50018267 (CHEMBL3290305) Show SMILES Cc1ccc(cc1)-n1c2c(cnc3ccc(cc23)-c2ccncc2)n(C)c1=O Show InChI InChI=1S/C23H18N4O/c1-15-3-6-18(7-4-15)27-22-19-13-17(16-9-11-24-12-10-16)5-8-20(19)25-14-21(22)26(2)23(27)28/h3-14H,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	631	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human PI3K-alpha assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis				J Med Chem 57: 4834-48 (2014) Article DOI: 10.1021/jm500361r BindingDB Entry DOI: 10.7270/Q2CJ8G1T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50018265 (CHEMBL3290293) Show SMILES Cn1cc(cn1)-c1ccc2ncc3n(C)c(=O)n(-c4ccc(cc4)C(C)(C)C#N)c3c2c1 Show InChI InChI=1S/C25H22N6O/c1-25(2,15-26)18-6-8-19(9-7-18)31-23-20-11-16(17-12-28-29(3)14-17)5-10-21(20)27-13-22(23)30(4)24(31)32/h5-14H,1-4H3	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	794	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human PI3K-delta assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis				J Med Chem 57: 4834-48 (2014) Article DOI: 10.1021/jm500361r BindingDB Entry DOI: 10.7270/Q2CJ8G1T
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM50058062 (CHEMBL3323128) Show SMILES COc1ccc(cc1OCCCCOc1ccccc1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:23.28,20.31,(6.34,-9.24,;6.35,-7.7,;7.68,-6.93,;9.01,-7.7,;10.35,-6.93,;10.35,-5.38,;9.01,-4.62,;7.68,-5.39,;6.35,-4.62,;6.35,-3.08,;5.01,-2.31,;5.01,-.77,;3.68,-0,;2.35,-.77,;1.01,-0,;1.02,1.54,;-.32,2.31,;-1.66,1.54,;-1.65,-.01,;-.31,-.77,;11.68,-4.61,;13.01,-5.38,;14.33,-4.61,;14.34,-3.07,;13,-2.3,;11.66,-3.07,;15.67,-2.29,;17.01,-3.06,;15.67,-.75,;11.67,-6.14,;11.66,-7.68,)| Show InChI InChI=1S/C25H29NO5/c1-29-22-10-9-20(25(18-26)13-11-19(12-14-25)24(27)28)17-23(22)31-16-6-5-15-30-21-7-3-2-4-8-21/h2-4,7-10,17,19H,5-6,11-16H2,1H3,(H,27,28)/t19-,25-	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei recombinant PDEB1 pre-incubated for 5 mins prior to substrate addition				Bioorg Med Chem Lett 24: 4084-9 (2014) Article DOI: 10.1016/j.bmcl.2014.07.063 BindingDB Entry DOI: 10.7270/Q26D5VNC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50018265 (CHEMBL3290293) Show SMILES Cn1cc(cn1)-c1ccc2ncc3n(C)c(=O)n(-c4ccc(cc4)C(C)(C)C#N)c3c2c1 Show InChI InChI=1S/C25H22N6O/c1-25(2,15-26)18-6-8-19(9-7-18)31-23-20-11-16(17-12-28-29(3)14-17)5-10-21(20)27-13-22(23)30(4)24(31)32/h5-14H,1-4H3	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	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR assessed as inhibition of 4EBP1 phosphorylation after 30 mins by TR-FRET analysis				J Med Chem 57: 4834-48 (2014) Article DOI: 10.1021/jm500361r BindingDB Entry DOI: 10.7270/Q2CJ8G1T
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM8146 (N-(3,5-dimethylphenyl)-4-{pyrazolo[1,5-a]pyridazin...) Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-c2cnn3ncccc23)c1 Show InChI InChI=1S/C18H16N6/c1-12-8-13(2)10-14(9-12)22-18-19-7-5-16(23-18)15-11-21-24-17(15)4-3-6-20-24/h3-11H,1-2H3,(H,19,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human CDK4 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50018266 (CHEMBL3290300) Show SMILES Cn1c2cnc3ccccc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O Show InChI InChI=1S/C21H18N4O/c1-21(2,13-22)14-8-10-15(11-9-14)25-19-16-6-4-5-7-17(16)23-12-18(19)24(3)20(25)26/h4-12H,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	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human recombinant mTOR assessed as inhibition of 4EBP1 phosphorylation after 30 mins by TR-FRET analysis				J Med Chem 57: 4834-48 (2014) Article DOI: 10.1021/jm500361r BindingDB Entry DOI: 10.7270/Q2CJ8G1T
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM8133 (N-(4-tert-butylphenyl)-4-{pyrazolo[1,5-a]pyridazin...) Show SMILES CC(C)(C)c1ccc(Nc2nccc(n2)-c2cnn3ncccc23)cc1 Show InChI InChI=1S/C20H20N6/c1-20(2,3)14-6-8-15(9-7-14)24-19-21-12-10-17(25-19)16-13-23-26-18(16)5-4-11-22-26/h4-13H,1-3H3,(H,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human CDK4 using biotinylated-aminohexyl-Ala-Ala-Ala-Lys-Arg-Arg-Glu-Ile-Leu-Ser-Arg-Arg-Pro-Ser(PO3)-Tyr-Arg-amide as substrate after ...				J Med Chem 63: 756-783 (2020) Article DOI: 10.1021/acs.jmedchem.9b01741 BindingDB Entry DOI: 10.7270/Q2PR809G
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50018266 (CHEMBL3290300) Show SMILES Cn1c2cnc3ccccc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O Show InChI InChI=1S/C21H18N4O/c1-21(2,13-22)14-8-10-15(11-9-14)25-19-16-6-4-5-7-17(16)23-12-18(19)24(3)20(25)26/h4-12H,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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human PI3K-gamma assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis				J Med Chem 57: 4834-48 (2014) Article DOI: 10.1021/jm500361r BindingDB Entry DOI: 10.7270/Q2CJ8G1T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50018267 (CHEMBL3290305) Show SMILES Cc1ccc(cc1)-n1c2c(cnc3ccc(cc23)-c2ccncc2)n(C)c1=O Show InChI InChI=1S/C23H18N4O/c1-15-3-6-18(7-4-15)27-22-19-13-17(16-9-11-24-12-10-16)5-8-20(19)25-14-21(22)26(2)23(27)28/h3-14H,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	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human PI3K-delta assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis				J Med Chem 57: 4834-48 (2014) Article DOI: 10.1021/jm500361r BindingDB Entry DOI: 10.7270/Q2CJ8G1T
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50018268 (CHEMBL3290307) Show SMILES COc1ccc(cc1)-n1c2c(cnc3ccc(cc23)-c2ccncc2)n(C)c1=O Show InChI InChI=1S/C23H18N4O2/c1-26-21-14-25-20-8-3-16(15-9-11-24-12-10-15)13-19(20)22(21)27(23(26)28)17-4-6-18(29-2)7-5-17/h3-14H,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	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Inhibition of human PI3K-delta assessed as inhibition of Ptdlns(3,4,5)P3 phosphorylation after 1 hr by TR-FRET analysis				J Med Chem 57: 4834-48 (2014) Article DOI: 10.1021/jm500361r BindingDB Entry DOI: 10.7270/Q2CJ8G1T
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM153391 (3-(3-carbamoyl-4-(3-methoxyphenylamino)-8-methylqu...) Show SMILES COc1cccc(Nc2c(cnc3c(C)cc(cc23)S(=O)(=O)c2cccc(c2)C(O)=O)C(N)=O)c1 Show InChI InChI=1S/C25H21N3O6S/c1-14-9-19(35(32,33)18-8-3-5-15(10-18)25(30)31)12-20-22(14)27-13-21(24(26)29)23(20)28-16-6-4-7-17(11-16)34-2/h3-13H,1-2H3,(H2,26,29)(H,27,28)(H,30,31)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	7.4	n/a
Northeastern University					Assay Description In short, recombinant TbrPDEB1 and TbrPDEB2 were assayed in 10 mM Tris pH 7.4, bovine serum albumin (0.2 mg/mL), 10 mM MgCl2, 25µM cAMP (Enzo Lifesci...				Chem Biol Drug Des 85: 549-64 (2015) Article DOI: 10.1111/cbdd.12443 BindingDB Entry DOI: 10.7270/Q2FF3R28
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM153402 (4-((3-Methoxyphenyl)amino)-8-methyl-6-(1-methyl-1H...) Show SMILES COc1cccc(Nc2c(cnc3c(C)cc(cc23)-c2ccc3cnn(C)c3c2)C(N)=O)c1 Show InChI InChI=1S/C26H23N5O2/c1-15-9-18(16-7-8-17-13-29-31(2)23(17)11-16)10-21-24(15)28-14-22(26(27)32)25(21)30-19-5-4-6-20(12-19)33-3/h4-14H,1-3H3,(H2,27,32)(H,28,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	7.4	n/a
Northeastern University					Assay Description In short, recombinant TbrPDEB1 and TbrPDEB2 were assayed in 10 mM Tris pH 7.4, bovine serum albumin (0.2 mg/mL), 10 mM MgCl2, 25µM cAMP (Enzo Lifesci...				Chem Biol Drug Des 85: 549-64 (2015) Article DOI: 10.1111/cbdd.12443 BindingDB Entry DOI: 10.7270/Q2FF3R28
					More data for this Ligand-Target Pair
Phosphodiesterase (Trypanosoma brucei)	BDBM153408 (8-Methyl-6-(1-methyl-1H-indazol-6-yl)-4-(m-tolylam...) Show SMILES Cc1cccc(Nc2c(cnc3c(C)cc(cc23)-c2ccc3cnn(C)c3c2)C(N)=O)c1 Show InChI InChI=1S/C26H23N5O/c1-15-5-4-6-20(9-15)30-25-21-11-19(10-16(2)24(21)28-14-22(25)26(27)32)17-7-8-18-13-29-31(3)23(18)12-17/h4-14H,1-3H3,(H2,27,32)(H,28,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	7.4	n/a
Northeastern University					Assay Description In short, recombinant TbrPDEB1 and TbrPDEB2 were assayed in 10 mM Tris pH 7.4, bovine serum albumin (0.2 mg/mL), 10 mM MgCl2, 25µM cAMP (Enzo Lifesci...				Chem Biol Drug Des 85: 549-64 (2015) Article DOI: 10.1111/cbdd.12443 BindingDB Entry DOI: 10.7270/Q2FF3R28
					More data for this Ligand-Target Pair

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