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SMILES: CCOc1c(cc(Cl)c(C)c1C#N)C(C)Nc1ncnc(N)c1C(C)=N

InChI Key: InChIKey=LXCWTSNGWYCAAQ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 261188   

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 beta/delta isoform (Homo sapiens (Human))	BDBM261188 (3-[1-(4-Amino-3-methyl-1H-pyrazolo[3,4-d]pyrimidin...) Show SMILES CCOc1c(cc(Cl)c(C)c1C#N)C(C)Nc1ncnc(N)c1C(C)=N Show InChI InChI=1S/C18H21ClN6O/c1-5-26-16-12(6-14(19)9(2)13(16)7-20)11(4)25-18-15(10(3)21)17(22)23-8-24-18/h6,8,11,21H,5H2,1-4H3,(H3,22,23,24,25)	PDB UniProtKB/SwissProt antibodypedia 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 Lipid kinase substrate, phosphoinositol-4,5-bisphosphate (PIP2), are purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K isoforms α,...				US Patent US9707233 (2017) BindingDB Entry DOI: 10.7270/Q2S46V0R
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM261188 (3-[1-(4-Amino-3-methyl-1H-pyrazolo[3,4-d]pyrimidin...) Show SMILES CCOc1c(cc(Cl)c(C)c1C#N)C(C)Nc1ncnc(N)c1C(C)=N Show InChI InChI=1S/C18H21ClN6O/c1-5-26-16-12(6-14(19)9(2)13(16)7-20)11(4)25-18-15(10(3)21)17(22)23-8-24-18/h6,8,11,21H,5H2,1-4H3,(H3,22,23,24,25)	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	n/a	n/a
TBA					Assay Description The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 μL. Inhibitor...				Citation and Details BindingDB Entry DOI: 10.7270/Q2417199
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM261188 (3-[1-(4-Amino-3-methyl-1H-pyrazolo[3,4-d]pyrimidin...) Show SMILES CCOc1c(cc(Cl)c(C)c1C#N)C(C)Nc1ncnc(N)c1C(C)=N Show InChI InChI=1S/C18H21ClN6O/c1-5-26-16-12(6-14(19)9(2)13(16)7-20)11(4)25-18-15(10(3)21)17(22)23-8-24-18/h6,8,11,21H,5H2,1-4H3,(H3,22,23,24,25)	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	n/a	n/a
Incyte Holdings Corporation; Incyte Corporation US Patent					Assay Description [γ-33P]ATP (10 mCi/mL) was purchased from PerkinElmer (Waltham, Mass.). Lipid kinase substrate, D-myo-Phosphatidylinositol 4,5-bisphosphate (Ptd...				US Patent US9730939 (2017) BindingDB Entry DOI: 10.7270/Q2GB265W
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM261188 (3-[1-(4-Amino-3-methyl-1H-pyrazolo[3,4-d]pyrimidin...) Show SMILES CCOc1c(cc(Cl)c(C)c1C#N)C(C)Nc1ncnc(N)c1C(C)=N Show InChI InChI=1S/C18H21ClN6O/c1-5-26-16-12(6-14(19)9(2)13(16)7-20)11(4)25-18-15(10(3)21)17(22)23-8-24-18/h6,8,11,21H,5H2,1-4H3,(H3,22,23,24,25)	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