BDBM244221 US9428501, 8

SMILES: COc1cnc(CN2CCC(CC2)c2ccc3nc([nH]c3c2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1

InChI Key: InChIKey=WTVQQXGHNYQSSQ-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 244221   

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))	BDBM244221 (US9428501, 8) Show SMILES COc1cnc(CN2CCC(CC2)c2ccc3nc([nH]c3c2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1 Show InChI InChI=1S/C31H34F3N7O2/c1-43-28-18-35-25(17-36-28)20-39-10-8-22(9-11-39)23-4-7-26-27(16-23)38-29(37-26)30(42)41-14-12-40(13-15-41)19-21-2-5-24(6-3-21)31(32,33)34/h2-7,16-18,22H,8-15,19-20H2,1H3,(H,37,38)	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	83	n/a	n/a	n/a	n/a	7.5	n/a
Astellas Pharma Inc. US Patent					Assay Description Human PIK3CA mutation-positive breast cancer cell line MDA-MB-453 cells were subcutaneously implanted into nude mice, MDA-MB-453 tumor was excised, a...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM244221 (US9428501, 8) Show SMILES COc1cnc(CN2CCC(CC2)c2ccc3nc([nH]c3c2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1 Show InChI InChI=1S/C31H34F3N7O2/c1-43-28-18-35-25(17-36-28)20-39-10-8-22(9-11-39)23-4-7-26-27(16-23)38-29(37-26)30(42)41-14-12-40(13-15-41)19-21-2-5-24(6-3-21)31(32,33)34/h2-7,16-18,22H,8-15,19-20H2,1H3,(H,37,38)	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	26	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. US Patent					Assay Description In order to make human PIK3 CA mutation-positive breast cancer cell line MDA-MB-453 cells become 500 cells per well in a 384 well non-adhesive plate ...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-2 (Homo sapiens (Human))	BDBM244221 (US9428501, 8) Show SMILES COc1cnc(CN2CCC(CC2)c2ccc3nc([nH]c3c2)C(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cn1 Show InChI InChI=1S/C31H34F3N7O2/c1-43-28-18-35-25(17-36-28)20-39-10-8-22(9-11-39)23-4-7-26-27(16-23)38-29(37-26)30(42)41-14-12-40(13-15-41)19-21-2-5-24(6-3-21)31(32,33)34/h2-7,16-18,22H,8-15,19-20H2,1H3,(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	37
Astellas Pharma Inc. US Patent					Assay Description In order to make MDA-MB-453 cell become 15000 cells per well, each 36 μl was seeded in Leibovitz's L-15 medium including 10% fetal bovine serum (m...				US Patent US9428501 (2016) BindingDB Entry DOI: 10.7270/Q28051JK
					More data for this Ligand-Target Pair