BDBM50274572 CHEMBL4129180

SMILES: COc1cc(cnc1OC)-c1ccc2C(=O)N(Cc2c1)c1cnn(CC#N)c1

InChI Key: InChIKey=MAOAPMBIOHALLE-UHFFFAOYSA-N

Data: 1 KI

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 = 50274572   

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))	BDBM50274572 (CHEMBL4129180) Show SMILES COc1cc(cnc1OC)-c1ccc2C(=O)N(Cc2c1)c1cnn(CC#N)c1 Show InChI InChI=1S/C20H17N5O3/c1-27-18-8-14(9-22-19(18)28-2)13-3-4-17-15(7-13)11-25(20(17)26)16-10-23-24(12-16)6-5-21/h3-4,7-10,12H,6,11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate after 15 mins in presence of [33P-ATP] by liquid scintillation counting method				J Med Chem 61: 5245-5256 (2018) Article DOI: 10.1021/acs.jmedchem.8b00085 BindingDB Entry DOI: 10.7270/Q2V98BK8
					More data for this Ligand-Target Pair