BDBM50433035 CHEMBL2375954::US8633204, 313

SMILES: Cc1nc(N)nc2n([C@H]3CC[C@@H](CC3)OCC(N)=O)c(=O)c(cc12)-c1cnn(C)c1

InChI Key: InChIKey=LOYNAYXFINASCA-HDJSIYSDSA-N

Data: 1 KI  2 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 3 hits for monomerid = 50433035   

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 (PI3K alpha) (Mus musculus (Mouse))	BDBM50433035 (CHEMBL2375954 | US8633204, 313) Show SMILES Cc1nc(N)nc2n([C@H]3CC[C@@H](CC3)OCC(N)=O)c(=O)c(cc12)-c1cnn(C)c1 |r,wU:11.14,wD:8.7,(54.35,-45.06,;54.35,-46.6,;53.02,-47.37,;53.02,-48.92,;51.69,-49.69,;54.36,-49.69,;55.69,-48.92,;57.02,-49.7,;57.02,-51.23,;55.68,-52,;55.67,-53.53,;57,-54.31,;58.34,-53.55,;58.35,-52,;56.99,-55.85,;55.65,-56.61,;54.32,-55.83,;52.98,-56.6,;54.33,-54.29,;58.37,-48.93,;59.71,-49.7,;58.38,-47.37,;57.03,-46.59,;55.69,-47.37,;59.71,-46.61,;61.11,-47.25,;62.14,-46.12,;61.39,-44.78,;62.02,-43.38,;59.88,-45.09,)| Show InChI InChI=1S/C20H25N7O3/c1-11-15-7-16(12-8-23-26(2)9-12)19(29)27(18(15)25-20(22)24-11)13-3-5-14(6-4-13)30-10-17(21)28/h7-9,13-14H,3-6,10H2,1-2H3,(H2,21,28)(H2,22,24,25)/t13-,14-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mouse PI3Kalpha				Bioorg Med Chem Lett 23: 2787-92 (2013) Article DOI: 10.1016/j.bmcl.2013.02.020 BindingDB Entry DOI: 10.7270/Q2NZ890X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50433035 (CHEMBL2375954 | US8633204, 313) Show SMILES Cc1nc(N)nc2n([C@H]3CC[C@@H](CC3)OCC(N)=O)c(=O)c(cc12)-c1cnn(C)c1 |r,wU:11.14,wD:8.7,(54.35,-45.06,;54.35,-46.6,;53.02,-47.37,;53.02,-48.92,;51.69,-49.69,;54.36,-49.69,;55.69,-48.92,;57.02,-49.7,;57.02,-51.23,;55.68,-52,;55.67,-53.53,;57,-54.31,;58.34,-53.55,;58.35,-52,;56.99,-55.85,;55.65,-56.61,;54.32,-55.83,;52.98,-56.6,;54.33,-54.29,;58.37,-48.93,;59.71,-49.7,;58.38,-47.37,;57.03,-46.59,;55.69,-47.37,;59.71,-46.61,;61.11,-47.25,;62.14,-46.12,;61.39,-44.78,;62.02,-43.38,;59.88,-45.09,)| Show InChI InChI=1S/C20H25N7O3/c1-11-15-7-16(12-8-23-26(2)9-12)19(29)27(18(15)25-20(22)24-11)13-3-5-14(6-4-13)30-10-17(21)28/h7-9,13-14H,3-6,10H2,1-2H3,(H2,21,28)(H2,22,24,25)/t13-,14-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	47.9	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in...				US Patent US8633204 (2014) BindingDB Entry DOI: 10.7270/Q2Q81BQT
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50433035 (CHEMBL2375954 | US8633204, 313) Show SMILES Cc1nc(N)nc2n([C@H]3CC[C@@H](CC3)OCC(N)=O)c(=O)c(cc12)-c1cnn(C)c1 |r,wU:11.14,wD:8.7,(54.35,-45.06,;54.35,-46.6,;53.02,-47.37,;53.02,-48.92,;51.69,-49.69,;54.36,-49.69,;55.69,-48.92,;57.02,-49.7,;57.02,-51.23,;55.68,-52,;55.67,-53.53,;57,-54.31,;58.34,-53.55,;58.35,-52,;56.99,-55.85,;55.65,-56.61,;54.32,-55.83,;52.98,-56.6,;54.33,-54.29,;58.37,-48.93,;59.71,-49.7,;58.38,-47.37,;57.03,-46.59,;55.69,-47.37,;59.71,-46.61,;61.11,-47.25,;62.14,-46.12,;61.39,-44.78,;62.02,-43.38,;59.88,-45.09,)| Show InChI InChI=1S/C20H25N7O3/c1-11-15-7-16(12-8-23-26(2)9-12)19(29)27(18(15)25-20(22)24-11)13-3-5-14(6-4-13)30-10-17(21)28/h7-9,13-14H,3-6,10H2,1-2H3,(H2,21,28)(H2,22,24,25)/t13-,14-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	376	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of AKT phosphorylation at Ser 473 in human BT20 cells				Bioorg Med Chem Lett 23: 2787-92 (2013) Article DOI: 10.1016/j.bmcl.2013.02.020 BindingDB Entry DOI: 10.7270/Q2NZ890X
					More data for this Ligand-Target Pair