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SMILES: CCC(Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccc1F

InChI Key: InChIKey=VRTOLYBUSDPQHL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 350402   

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))	BDBM350402 (US10208066, Compound 19 | US10611777, Compound 19) Show SMILES CCC(Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccc1F Show InChI InChI=1S/C20H16ClFN8/c1-2-15(28-20-13(8-23)19(24)26-10-27-20)12-7-17-25-9-16(21)30(17)29-18(12)11-5-3-4-6-14(11)22/h3-7,9-10,15H,2H2,1H3,(H3,24,26,27,28)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
HUTCHISON MEDIPHARMA LIMITED US Patent					Assay Description Briefly, the Transcreener KINASE Assay was designed as a simple two-part, endpoint assay as follows:1) Preparation of 25 uL kinase reaction: the 25 u...				US Patent US10208066 (2019) BindingDB Entry DOI: 10.7270/Q2319Z0W
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM350402 (US10208066, Compound 19 | US10611777, Compound 19) Show SMILES CCC(Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccc1F Show InChI InChI=1S/C20H16ClFN8/c1-2-15(28-20-13(8-23)19(24)26-10-27-20)12-7-17-25-9-16(21)30(17)29-18(12)11-5-3-4-6-14(11)22/h3-7,9-10,15H,2H2,1H3,(H3,24,26,27,28)	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	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
HUTCHISON MEDIPHARMA LIMITED US Patent					Assay Description Briefly, the Transcreener KINASE Assay was designed as a simple two-part, endpoint assay as follows:1) Preparation of 25 uL kinase reaction: the 25 u...				US Patent US10208066 (2019) BindingDB Entry DOI: 10.7270/Q2319Z0W
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta (Homo sapiens (Human))	BDBM350402 (US10208066, Compound 19 | US10611777, Compound 19) Show SMILES CCC(Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccc1F Show InChI InChI=1S/C20H16ClFN8/c1-2-15(28-20-13(8-23)19(24)26-10-27-20)12-7-17-25-9-16(21)30(17)29-18(12)11-5-3-4-6-14(11)22/h3-7,9-10,15H,2H2,1H3,(H3,24,26,27,28)	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	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
HUTCHISON MEDIPHARMA LIMITED US Patent					Assay Description Briefly, the Transcreener KINASE Assay was designed as a simple two-part, endpoint assay as follows:1) Preparation of 25 uL kinase reaction: the 25 u...				US Patent US10208066 (2019) BindingDB Entry DOI: 10.7270/Q2319Z0W
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM350402 (US10208066, Compound 19 | US10611777, Compound 19) Show SMILES CCC(Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccc1F Show InChI InChI=1S/C20H16ClFN8/c1-2-15(28-20-13(8-23)19(24)26-10-27-20)12-7-17-25-9-16(21)30(17)29-18(12)11-5-3-4-6-14(11)22/h3-7,9-10,15H,2H2,1H3,(H3,24,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
HUTCHISON MEDIPHARMA LIMITED US Patent					Assay Description PI3K kinases including p110α/p85α and p110γ were purchased from Invitrogen, p110δ/p85α and p110β/p85α were from Mi...				US Patent US10611777 (2020) BindingDB Entry DOI: 10.7270/Q26113BX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM350402 (US10208066, Compound 19 | US10611777, Compound 19) Show SMILES CCC(Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccc1F Show InChI InChI=1S/C20H16ClFN8/c1-2-15(28-20-13(8-23)19(24)26-10-27-20)12-7-17-25-9-16(21)30(17)29-18(12)11-5-3-4-6-14(11)22/h3-7,9-10,15H,2H2,1H3,(H3,24,26,27,28)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
HUTCHISON MEDIPHARMA LIMITED US Patent					Assay Description PI3K kinases including p110α/p85α and p110γ were purchased from Invitrogen, p110δ/p85α and p110β/p85α were from Mi...				US Patent US10611777 (2020) BindingDB Entry DOI: 10.7270/Q26113BX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM350402 (US10208066, Compound 19 | US10611777, Compound 19) Show SMILES CCC(Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccc1F Show InChI InChI=1S/C20H16ClFN8/c1-2-15(28-20-13(8-23)19(24)26-10-27-20)12-7-17-25-9-16(21)30(17)29-18(12)11-5-3-4-6-14(11)22/h3-7,9-10,15H,2H2,1H3,(H3,24,26,27,28)	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	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
HUTCHISON MEDIPHARMA LIMITED US Patent					Assay Description PI3K kinases including p110α/p85α and p110γ were purchased from Invitrogen, p110δ/p85α and p110β/p85α were from Mi...				US Patent US10611777 (2020) BindingDB Entry DOI: 10.7270/Q26113BX
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit beta (Homo sapiens (Human))	BDBM350402 (US10208066, Compound 19 | US10611777, Compound 19) Show SMILES CCC(Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccc1F Show InChI InChI=1S/C20H16ClFN8/c1-2-15(28-20-13(8-23)19(24)26-10-27-20)12-7-17-25-9-16(21)30(17)29-18(12)11-5-3-4-6-14(11)22/h3-7,9-10,15H,2H2,1H3,(H3,24,26,27,28)	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	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
HUTCHISON MEDIPHARMA LIMITED US Patent					Assay Description PI3K kinases including p110α/p85α and p110γ were purchased from Invitrogen, p110δ/p85α and p110β/p85α were from Mi...				US Patent US10611777 (2020) BindingDB Entry DOI: 10.7270/Q26113BX
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha (Homo sapiens (Human))	BDBM350402 (US10208066, Compound 19 | US10611777, Compound 19) Show SMILES CCC(Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1ccccc1F Show InChI InChI=1S/C20H16ClFN8/c1-2-15(28-20-13(8-23)19(24)26-10-27-20)12-7-17-25-9-16(21)30(17)29-18(12)11-5-3-4-6-14(11)22/h3-7,9-10,15H,2H2,1H3,(H3,24,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
HUTCHISON MEDIPHARMA LIMITED US Patent					Assay Description Briefly, the Transcreener KINASE Assay was designed as a simple two-part, endpoint assay as follows:1) Preparation of 25 uL kinase reaction: the 25 u...				US Patent US10208066 (2019) BindingDB Entry DOI: 10.7270/Q2319Z0W
					More data for this Ligand-Target Pair