BDBM50347089 CHEMBL1796275

SMILES: CN(C(=O)c1cc2CCOc3cc(ccc3-c2s1)C(N)=O)c1ccccc1Cl

InChI Key: InChIKey=ZIAMYBTXHWHKGO-UHFFFAOYSA-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 = 50347089   

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))	BDBM50347089 (CHEMBL1796275) Show SMILES CN(C(=O)c1cc2CCOc3cc(ccc3-c2s1)C(N)=O)c1ccccc1Cl Show InChI InChI=1S/C21H17ClN2O3S/c1-24(16-5-3-2-4-15(16)22)21(26)18-11-12-8-9-27-17-10-13(20(23)25)6-7-14(17)19(12)28-18/h2-7,10-11H,8-9H2,1H3,(H2,23,25)	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	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kalpha assessed as inhibition of PIP3 formation by fluorescence polarization assay				Bioorg Med Chem Lett 21: 4054-8 (2011) Article DOI: 10.1016/j.bmcl.2011.04.124 BindingDB Entry DOI: 10.7270/Q29G5N57
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50347089 (CHEMBL1796275) Show SMILES CN(C(=O)c1cc2CCOc3cc(ccc3-c2s1)C(N)=O)c1ccccc1Cl Show InChI InChI=1S/C21H17ClN2O3S/c1-24(16-5-3-2-4-15(16)22)21(26)18-11-12-8-9-27-17-10-13(20(23)25)6-7-14(17)19(12)28-18/h2-7,10-11H,8-9H2,1H3,(H2,23,25)	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	100	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha-mediated AKT Ser 473 phosphorylation in human PC3 cells				Bioorg Med Chem Lett 23: 897-901 (2013) Article DOI: 10.1016/j.bmcl.2012.10.121 BindingDB Entry DOI: 10.7270/Q21C1Z5X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50347089 (CHEMBL1796275) Show SMILES CN(C(=O)c1cc2CCOc3cc(ccc3-c2s1)C(N)=O)c1ccccc1Cl Show InChI InChI=1S/C21H17ClN2O3S/c1-24(16-5-3-2-4-15(16)22)21(26)18-11-12-8-9-27-17-10-13(20(23)25)6-7-14(17)19(12)28-18/h2-7,10-11H,8-9H2,1H3,(H2,23,25)	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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kalpha (unknown origin)-mediated 3,4,5-inositoltriphosphate formation after 30 mins by TAMRA-PIP3-based competitive fluo...				Bioorg Med Chem Lett 23: 897-901 (2013) Article DOI: 10.1016/j.bmcl.2012.10.121 BindingDB Entry DOI: 10.7270/Q21C1Z5X
					More data for this Ligand-Target Pair