BDBM50230654 CHEMBL4093568

SMILES: COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(NC(=O)CN3CCN(C)CC3)c(OC)c2c1

InChI Key: InChIKey=OBBFCKWYYOCVKG-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 = 50230654   

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
p110α/p85α (Homo sapiens (Human))	BDBM50230654 (CHEMBL4093568) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(NC(=O)CN3CCN(C)CC3)c(OC)c2c1 Show InChI InChI=1S/C29H30F2N6O5S/c1-36-8-10-37(11-9-36)17-27(38)34-25-16-32-23-6-4-18(12-21(23)28(25)41-2)19-13-24(29(42-3)33-15-19)35-43(39,40)26-7-5-20(30)14-22(26)31/h4-7,12-16,35H,8-11,17H2,1-3H3,(H,34,38)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Hangzhou Xixi Hospital Curated by ChEMBL					Assay Description Inhibition of PI3K p110alpha/p85alpha (unknown origin) using PIP2 as substrate after 1 hr by luminescent kinase-Glo assay				Eur J Med Chem 127: 509-520 (2017) BindingDB Entry DOI: 10.7270/Q2CZ39DX
					More data for this Ligand-Target Pair