BDBM50448086 CHEMBL3121322

SMILES: COc1ncc(cc1NS(=O)(=O)c1ccc(cc1)C#N)-c1ccc2nc(N)n(-c3ccccc3)c(=O)c2c1

InChI Key: InChIKey=DSQJVZCCWLGHTH-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 50448086   

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 gamma isoform (Homo sapiens (Human))	BDBM50448086 (CHEMBL3121322) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(cc1)C#N)-c1ccc2nc(N)n(-c3ccccc3)c(=O)c2c1 Show InChI InChI=1S/C27H20N6O4S/c1-37-25-24(32-38(35,36)21-10-7-17(15-28)8-11-21)14-19(16-30-25)18-9-12-23-22(13-18)26(34)33(27(29)31-23)20-5-3-2-4-6-20/h2-14,16,32H,1H3,(H2,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (2 to 1102) (unknown origin) using diC8-PIP2 as substrate preincubated for 30 mins followed by substrate addition measured af...				J Med Chem 57: 2091-106 (2014) Article DOI: 10.1021/jm400781h BindingDB Entry DOI: 10.7270/Q2WH2RG0
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase alpha (PI4KA) (Homo sapiens (Human))	BDBM50448086 (CHEMBL3121322) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(cc1)C#N)-c1ccc2nc(N)n(-c3ccccc3)c(=O)c2c1 Show InChI InChI=1S/C27H20N6O4S/c1-37-25-24(32-38(35,36)21-10-7-17(15-28)8-11-21)14-19(16-30-25)18-9-12-23-22(13-18)26(34)33(27(29)31-23)20-5-3-2-4-6-20/h2-14,16,32H,1H3,(H2,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GST-tagged PI4K-alpha (1 to 2044) (unknown origin) using D-myo-phosphatidylinositol as substrate preincubated for 30 mins followed by s...				J Med Chem 57: 2091-106 (2014) Article DOI: 10.1021/jm400781h BindingDB Entry DOI: 10.7270/Q2WH2RG0
					More data for this Ligand-Target Pair