BDBM203350 US9539260, B14::US9763952, Example B14

SMILES: COc1ncc(cc1C(F)(F)F)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)CC3)cc12

InChI Key: InChIKey=FIKICNBUTIASAB-IBGZPJMESA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 203350   

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))	BDBM203350 (US9539260, B14 | US9763952, Example B14) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)CC3)cc12 |r| Show InChI InChI=1S/C25H28F3N3O6S/c1-35-23-20(25(26,27)28)12-17(14-29-23)31-8-9-36-22-3-2-18(13-21(22)31)37-19-4-7-30(15-19)24(32)16-5-10-38(33,34)11-6-16/h2-3,12-14,16,19H,4-11,15H2,1H3/t19-/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	244	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description Determination of Enzymatic PI3K Alpha and PI3K Delta Isoform Inhibition1.1 Test of Lipid Kinase ActivityThe efficacy of the compounds of examples 1-1...				US Patent US9539260 (2017) BindingDB Entry DOI: 10.7270/Q2W37TH1
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM203350 (US9539260, B14 | US9763952, Example B14) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)CC3)cc12 |r| Show InChI InChI=1S/C25H28F3N3O6S/c1-35-23-20(25(26,27)28)12-17(14-29-23)31-8-9-36-22-3-2-18(13-21(22)31)37-19-4-7-30(15-19)24(32)16-5-10-38(33,34)11-6-16/h2-3,12-14,16,19H,4-11,15H2,1H3/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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									US Patent US9763952 (2017) BindingDB Entry DOI: 10.7270/Q2V40X9Z
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM203350 (US9539260, B14 | US9763952, Example B14) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)CC3)cc12 |r| Show InChI InChI=1S/C25H28F3N3O6S/c1-35-23-20(25(26,27)28)12-17(14-29-23)31-8-9-36-22-3-2-18(13-21(22)31)37-19-4-7-30(15-19)24(32)16-5-10-38(33,34)11-6-16/h2-3,12-14,16,19H,4-11,15H2,1H3/t19-/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	244	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS AG US Patent					Assay Description The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and p...				US Patent US9763952 (2017) BindingDB Entry DOI: 10.7270/Q2V40X9Z
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM203350 (US9539260, B14 | US9763952, Example B14) Show SMILES COc1ncc(cc1C(F)(F)F)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)C3CCS(=O)(=O)CC3)cc12 |r| Show InChI InChI=1S/C25H28F3N3O6S/c1-35-23-20(25(26,27)28)12-17(14-29-23)31-8-9-36-22-3-2-18(13-21(22)31)37-19-4-7-30(15-19)24(32)16-5-10-38(33,34)11-6-16/h2-3,12-14,16,19H,4-11,15H2,1H3/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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	25
NOVARTIS AG US Patent					Assay Description Determination of Enzymatic PI3K Alpha and PI3K Delta Isoform Inhibition1.1 Test of Lipid Kinase ActivityThe efficacy of the compounds of examples 1-1...				US Patent US9539260 (2017) BindingDB Entry DOI: 10.7270/Q2W37TH1
					More data for this Ligand-Target Pair