BDBM50357663 CHEMBL1914722

SMILES: CC(C)N1CCN(CC1)c1ccnc2ccc(cc12)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1

InChI Key: InChIKey=SHLRNAMEMGGTKI-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50357663   

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))	BDBM50357663 (CHEMBL1914722) Show SMILES CC(C)N1CCN(CC1)c1ccnc2ccc(cc12)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C27H27ClFN5O2S/c1-18(2)33-11-13-34(14-12-33)26-9-10-30-24-8-3-19(15-23(24)26)20-16-25(27(28)31-17-20)32-37(35,36)22-6-4-21(29)5-7-22/h3-10,15-18,32H,11-14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser 473 in human U87MG cells				J Med Chem 54: 4735-51 (2011) Article DOI: 10.1021/jm200386s BindingDB Entry DOI: 10.7270/Q2FB53C5
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50357663 (CHEMBL1914722) Show SMILES CC(C)N1CCN(CC1)c1ccnc2ccc(cc12)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C27H27ClFN5O2S/c1-18(2)33-11-13-34(14-12-33)26-9-10-30-24-8-3-19(15-23(24)26)20-16-25(27(28)31-17-20)32-37(35,36)22-6-4-21(29)5-7-22/h3-10,15-18,32H,11-14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser 473 in human U87MG cells				J Med Chem 54: 4735-51 (2011) Article DOI: 10.1021/jm200386s BindingDB Entry DOI: 10.7270/Q2FB53C5
					More data for this Ligand-Target Pair