null

SMILES: COc1c(cc(Cl)c([N+]#[C-])c1C1CN(CCO)C1)C(C)n1nc(C)c2c(N)ncnc12

InChI Key: InChIKey=YFHWTHUFKDLCHI-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 246892   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM246892 (4-[1-(4-amino-3-methyl- 1H-pyrazolo[3,4- d]pyrimid...) Show SMILES COc1c(cc(Cl)c([N+]#[C-])c1C1CN(CCO)C1)C(C)n1nc(C)c2c(N)ncnc12 Show InChI InChI=1S/C21H24ClN7O2/c1-11-16-20(23)25-10-26-21(16)29(27-11)12(2)14-7-15(22)18(24-3)17(19(14)31-4)13-8-28(9-13)5-6-30/h7,10,12-13,30H,5-6,8-9H2,1-2,4H3,(H2,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation US Patent					Assay Description In some embodiments, the PI3Kδ inhibitor is selective. By ¿selective¿ is meant that the compound binds to or inhibits a kinase with greater affi...				US Patent US9708333 (2017) BindingDB Entry DOI: 10.7270/Q2KD20XW
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM246892 (4-[1-(4-amino-3-methyl- 1H-pyrazolo[3,4- d]pyrimid...) Show SMILES COc1c(cc(Cl)c([N+]#[C-])c1C1CN(CCO)C1)C(C)n1nc(C)c2c(N)ncnc12 Show InChI InChI=1S/C21H24ClN7O2/c1-11-16-20(23)25-10-26-21(16)29(27-11)12(2)14-7-15(22)18(24-3)17(19(14)31-4)13-8-28(9-13)5-6-30/h7,10,12-13,30H,5-6,8-9H2,1-2,4H3,(H2,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	6.7	25
Incyte Corporation US Patent					Assay Description [γ-33P]ATP (10 mCi/mL) and Wheat Germ Agglutinin (WGA) YSi SPA Scintillation Beads was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinas...				US Patent US10065963 (2018) BindingDB Entry DOI: 10.7270/Q2H41TFS
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM246892 (4-[1-(4-amino-3-methyl- 1H-pyrazolo[3,4- d]pyrimid...) Show SMILES COc1c(cc(Cl)c([N+]#[C-])c1C1CN(CCO)C1)C(C)n1nc(C)c2c(N)ncnc12 Show InChI InChI=1S/C21H24ClN7O2/c1-11-16-20(23)25-10-26-21(16)29(27-11)12(2)14-7-15(22)18(24-3)17(19(14)31-4)13-8-28(9-13)5-6-30/h7,10,12-13,30H,5-6,8-9H2,1-2,4H3,(H2,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation US Patent					Assay Description In some embodiments, the PI3Kδ inhibitor is selective. By ¿selective¿ is meant that the compound binds to or inhibits a kinase with greater aff...				US Patent US10053465 (2018) BindingDB Entry DOI: 10.7270/Q2B27X98
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM246892 (4-[1-(4-amino-3-methyl- 1H-pyrazolo[3,4- d]pyrimid...) Show SMILES COc1c(cc(Cl)c([N+]#[C-])c1C1CN(CCO)C1)C(C)n1nc(C)c2c(N)ncnc12 Show InChI InChI=1S/C21H24ClN7O2/c1-11-16-20(23)25-10-26-21(16)29(27-11)12(2)14-7-15(22)18(24-3)17(19(14)31-4)13-8-28(9-13)5-6-30/h7,10,12-13,30H,5-6,8-9H2,1-2,4H3,(H2,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	6.7	25
Incyte Holdings Corporation; Incyte Corporation US Patent					Assay Description [γ-33P]ATP (10 mCi/mL) was purchased from Perkin-Elmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Pt...				US Patent US10092570 (2018) BindingDB Entry DOI: 10.7270/Q2PZ5BW5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM246892 (4-[1-(4-amino-3-methyl- 1H-pyrazolo[3,4- d]pyrimid...) Show SMILES COc1c(cc(Cl)c([N+]#[C-])c1C1CN(CCO)C1)C(C)n1nc(C)c2c(N)ncnc12 Show InChI InChI=1S/C21H24ClN7O2/c1-11-16-20(23)25-10-26-21(16)29(27-11)12(2)14-7-15(22)18(24-3)17(19(14)31-4)13-8-28(9-13)5-6-30/h7,10,12-13,30H,5-6,8-9H2,1-2,4H3,(H2,23,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	25
Incyte Corporation US Patent					Assay Description The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...				US Patent US10053465 (2018) BindingDB Entry DOI: 10.7270/Q2B27X98
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3 (Homo sapiens (Human))	BDBM246892 (4-[1-(4-amino-3-methyl- 1H-pyrazolo[3,4- d]pyrimid...) Show SMILES COc1c(cc(Cl)c([N+]#[C-])c1C1CN(CCO)C1)C(C)n1nc(C)c2c(N)ncnc12 Show InChI InChI=1S/C21H24ClN7O2/c1-11-16-20(23)25-10-26-21(16)29(27-11)12(2)14-7-15(22)18(24-3)17(19(14)31-4)13-8-28(9-13)5-6-30/h7,10,12-13,30H,5-6,8-9H2,1-2,4H3,(H2,23,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	25
Incyte Corporation US Patent					Assay Description The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...				US Patent US10053465 (2018) BindingDB Entry DOI: 10.7270/Q2B27X98
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Mer (Homo sapiens (Human))	BDBM246892 (4-[1-(4-amino-3-methyl- 1H-pyrazolo[3,4- d]pyrimid...) Show SMILES COc1c(cc(Cl)c([N+]#[C-])c1C1CN(CCO)C1)C(C)n1nc(C)c2c(N)ncnc12 Show InChI InChI=1S/C21H24ClN7O2/c1-11-16-20(23)25-10-26-21(16)29(27-11)12(2)14-7-15(22)18(24-3)17(19(14)31-4)13-8-28(9-13)5-6-30/h7,10,12-13,30H,5-6,8-9H2,1-2,4H3,(H2,23,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	25
Incyte Corporation US Patent					Assay Description The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2, 1 mM EGTA, 0.01% NP-40 and 2 mM DTT. 0.1 ul test compounds dissolved in DMSO were ...				US Patent US10053465 (2018) BindingDB Entry DOI: 10.7270/Q2B27X98
					More data for this Ligand-Target Pair