BDBM203661 US9539260, B108::US9763952, Example B108

SMILES: COc1ncc(cc1Cl)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cnco3)cc12

InChI Key: InChIKey=MTHXCPWPBWJDHX-INIZCTEOSA-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 = 203661   

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))	BDBM203661 (US9539260, B108 | US9763952, Example B108) Show SMILES COc1ncc(cc1Cl)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cnco3)cc12 |r| Show InChI InChI=1S/C22H21ClN4O5/c1-29-21-17(23)8-14(10-25-21)27-6-7-30-19-3-2-15(9-18(19)27)32-16-4-5-26(12-16)22(28)20-11-24-13-31-20/h2-3,8-11,13,16H,4-7,12H2,1H3/t16-/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	94	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))	BDBM203661 (US9539260, B108 | US9763952, Example B108) Show SMILES COc1ncc(cc1Cl)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cnco3)cc12 |r| Show InChI InChI=1S/C22H21ClN4O5/c1-29-21-17(23)8-14(10-25-21)27-6-7-30-19-3-2-15(9-18(19)27)32-16-4-5-26(12-16)22(28)20-11-24-13-31-20/h2-3,8-11,13,16H,4-7,12H2,1H3/t16-/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	<3	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))	BDBM203661 (US9539260, B108 | US9763952, Example B108) Show SMILES COc1ncc(cc1Cl)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cnco3)cc12 |r| Show InChI InChI=1S/C22H21ClN4O5/c1-29-21-17(23)8-14(10-25-21)27-6-7-30-19-3-2-15(9-18(19)27)32-16-4-5-26(12-16)22(28)20-11-24-13-31-20/h2-3,8-11,13,16H,4-7,12H2,1H3/t16-/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	94	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))	BDBM203661 (US9539260, B108 | US9763952, Example B108) Show SMILES COc1ncc(cc1Cl)N1CCOc2ccc(O[C@H]3CCN(C3)C(=O)c3cnco3)cc12 |r| Show InChI InChI=1S/C22H21ClN4O5/c1-29-21-17(23)8-14(10-25-21)27-6-7-30-19-3-2-15(9-18(19)27)32-16-4-5-26(12-16)22(28)20-11-24-13-31-20/h2-3,8-11,13,16H,4-7,12H2,1H3/t16-/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	<3	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