BDBM50230652 CHEMBL4101502

SMILES: COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(NC(=O)CN3CCCC(O)C3)c(OC)c2c1

InChI Key: InChIKey=HLBVBXBWACBREH-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 = 50230652   

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))	BDBM50230652 (CHEMBL4101502) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(NC(=O)CN3CCCC(O)C3)c(OC)c2c1 Show InChI InChI=1S/C29H29F2N5O6S/c1-41-28-21-10-17(5-7-23(21)32-14-25(28)34-27(38)16-36-9-3-4-20(37)15-36)18-11-24(29(42-2)33-13-18)35-43(39,40)26-8-6-19(30)12-22(26)31/h5-8,10-14,20,35,37H,3-4,9,15-16H2,1-2H3,(H,34,38)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	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