null

SMILES: C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1nccs1

InChI Key: InChIKey=ONCWHTARVIIEDJ-IINYFYTJSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 346171   

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 alpha isoform (Homo sapiens (Human))	BDBM346171 ((4S,5R)-3-(2′-Amino-2-morpholin-4-yl-4′...) Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1nccs1 |r| Show InChI InChI=1S/C20H19F3N8O3S/c1-10-14(16-25-2-7-35-16)34-19(32)31(10)13-8-12(27-18(28-13)30-3-5-33-6-4-30)11-9-26-17(24)29-15(11)20(21,22)23/h2,7-10,14H,3-6H2,1H3,(H2,24,26,29)/t10-,14+/m0/s1	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	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10202371 (2019) BindingDB Entry DOI: 10.7270/Q2KD2123
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM346171 ((4S,5R)-3-(2′-Amino-2-morpholin-4-yl-4′...) Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1nccs1 |r| Show InChI InChI=1S/C20H19F3N8O3S/c1-10-14(16-25-2-7-35-16)34-19(32)31(10)13-8-12(27-18(28-13)30-3-5-33-6-4-30)11-9-26-17(24)29-15(11)20(21,22)23/h2,7-10,14H,3-6H2,1H3,(H2,24,26,29)/t10-,14+/m0/s1	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	9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description The luminescence-based ATP detection reagent KinaseGlo was obtained from Promega, (Cat. No. V6714, Lot No. 236161) through Catalys, Wallisellen, Swit...				US Patent US10202371 (2019) BindingDB Entry DOI: 10.7270/Q2KD2123
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM346171 ((4S,5R)-3-(2′-Amino-2-morpholin-4-yl-4′...) Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1nccs1 |r| Show InChI InChI=1S/C20H19F3N8O3S/c1-10-14(16-25-2-7-35-16)34-19(32)31(10)13-8-12(27-18(28-13)30-3-5-33-6-4-30)11-9-26-17(24)29-15(11)20(21,22)23/h2,7-10,14H,3-6H2,1H3,(H2,24,26,29)/t10-,14+/m0/s1	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent									US Patent US10202371 (2019) BindingDB Entry DOI: 10.7270/Q2KD2123
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Mus musculus (Mouse))	BDBM346171 ((4S,5R)-3-(2′-Amino-2-morpholin-4-yl-4′...) Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1nccs1 |r| Show InChI InChI=1S/C20H19F3N8O3S/c1-10-14(16-25-2-7-35-16)34-19(32)31(10)13-8-12(27-18(28-13)30-3-5-33-6-4-30)11-9-26-17(24)29-15(11)20(21,22)23/h2,7-10,14H,3-6H2,1H3,(H2,24,26,29)/t10-,14+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, ALPHA, Perkin Elmer) is a non-radioactive bead-based proximity assay technology to st...				US Patent US10202371 (2019) BindingDB Entry DOI: 10.7270/Q2KD2123
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM346171 ((4S,5R)-3-(2′-Amino-2-morpholin-4-yl-4′...) Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1nccs1 |r| Show InChI InChI=1S/C20H19F3N8O3S/c1-10-14(16-25-2-7-35-16)34-19(32)31(10)13-8-12(27-18(28-13)30-3-5-33-6-4-30)11-9-26-17(24)29-15(11)20(21,22)23/h2,7-10,14H,3-6H2,1H3,(H2,24,26,29)/t10-,14+/m0/s1	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	251	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description TR-FRET assays for protein kinases uses a long-lifetime lanthanide Terbium or Europium chelates as the donor species which overcome interference by c...				US Patent US10202371 (2019) BindingDB Entry DOI: 10.7270/Q2KD2123
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Rattus norvegicus (Rat))	BDBM346171 ((4S,5R)-3-(2′-Amino-2-morpholin-4-yl-4′...) Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1nccs1 |r| Show InChI InChI=1S/C20H19F3N8O3S/c1-10-14(16-25-2-7-35-16)34-19(32)31(10)13-8-12(27-18(28-13)30-3-5-33-6-4-30)11-9-26-17(24)29-15(11)20(21,22)23/h2,7-10,14H,3-6H2,1H3,(H2,24,26,29)/t10-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, ALPHA, Perkin Elmer) is a non-radioactive bead-based proximity assay technology to st...				US Patent US10202371 (2019) BindingDB Entry DOI: 10.7270/Q2KD2123
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Rattus norvegicus (Rat))	BDBM346171 ((4S,5R)-3-(2′-Amino-2-morpholin-4-yl-4′...) Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1nccs1 |r| Show InChI InChI=1S/C20H19F3N8O3S/c1-10-14(16-25-2-7-35-16)34-19(32)31(10)13-8-12(27-18(28-13)30-3-5-33-6-4-30)11-9-26-17(24)29-15(11)20(21,22)23/h2,7-10,14H,3-6H2,1H3,(H2,24,26,29)/t10-,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay, ALPHA, Perkin Elmer) is a non-radioactive bead-based proximity assay technology to st...				US Patent US10202371 (2019) BindingDB Entry DOI: 10.7270/Q2KD2123
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM346171 ((4S,5R)-3-(2′-Amino-2-morpholin-4-yl-4′...) Show SMILES C[C@H]1[C@@H](OC(=O)N1c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1C(F)(F)F)c1nccs1 |r| Show InChI InChI=1S/C20H19F3N8O3S/c1-10-14(16-25-2-7-35-16)34-19(32)31(10)13-8-12(27-18(28-13)30-3-5-33-6-4-30)11-9-26-17(24)29-15(11)20(21,22)23/h2,7-10,14H,3-6H2,1H3,(H2,24,26,29)/t10-,14+/m0/s1	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	92	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent									US Patent US10202371 (2019) BindingDB Entry DOI: 10.7270/Q2KD2123
					More data for this Ligand-Target Pair