BDBM202513 US9539260, A12::US9763952, Example A12

SMILES: CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cnc(OC)c(Cl)c3)c2c1

InChI Key: InChIKey=WVONGKWPNYIRIT-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 = 202513   

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))	BDBM202513 (US9539260, A12 | US9763952, Example A12) Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cnc(OC)c(Cl)c3)c2c1 |r| Show InChI InChI=1S/C21H24ClN3O4/c1-3-20(26)24-7-6-16(13-24)29-15-4-5-19-18(11-15)25(8-9-28-19)14-10-17(22)21(27-2)23-12-14/h4-5,10-12,16H,3,6-9,13H2,1-2H3/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	182	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))	BDBM202513 (US9539260, A12 | US9763952, Example A12) Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cnc(OC)c(Cl)c3)c2c1 |r| Show InChI InChI=1S/C21H24ClN3O4/c1-3-20(26)24-7-6-16(13-24)29-15-4-5-19-18(11-15)25(8-9-28-19)14-10-17(22)21(27-2)23-12-14/h4-5,10-12,16H,3,6-9,13H2,1-2H3/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))	BDBM202513 (US9539260, A12 | US9763952, Example A12) Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cnc(OC)c(Cl)c3)c2c1 |r| Show InChI InChI=1S/C21H24ClN3O4/c1-3-20(26)24-7-6-16(13-24)29-15-4-5-19-18(11-15)25(8-9-28-19)14-10-17(22)21(27-2)23-12-14/h4-5,10-12,16H,3,6-9,13H2,1-2H3/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	182	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))	BDBM202513 (US9539260, A12 | US9763952, Example A12) Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ccc2OCCN(c3cnc(OC)c(Cl)c3)c2c1 |r| Show InChI InChI=1S/C21H24ClN3O4/c1-3-20(26)24-7-6-16(13-24)29-15-4-5-19-18(11-15)25(8-9-28-19)14-10-17(22)21(27-2)23-12-14/h4-5,10-12,16H,3,6-9,13H2,1-2H3/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