BDBM50460052 CHEMBL4225483

SMILES: COc1ncc(cc1NS(=O)(=O)c1ccc(Cl)s1)-c1cc2c(C)nc(NC(C)=O)nc2s1

InChI Key: InChIKey=AUQPVAKLJJBNFN-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50460052   

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))	BDBM50460052 (CHEMBL4225483) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(Cl)s1)-c1cc2c(C)nc(NC(C)=O)nc2s1 Show InChI InChI=1S/C19H16ClN5O4S3/c1-9-12-7-14(30-18(12)24-19(22-9)23-10(2)26)11-6-13(17(29-3)21-8-11)25-32(27,28)16-5-4-15(20)31-16/h4-8,25H,1-3H3,(H,22,23,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged PI3Kalpha expressed in baculovirus expression system using PIP2 as substrate measured after 1 h...				Bioorg Med Chem 26: 637-646 (2018) Article DOI: 10.1016/j.bmc.2017.12.025 BindingDB Entry DOI: 10.7270/Q2JD50FF
					More data for this Ligand-Target Pair