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SMILES: COc1ncc(cc1NS(=O)(=O)c1ccc(Cl)cc1F)-c1ccc2ncc(-c3nnc(CCN4CCN(C)CC4)o3)n2c1

InChI Key: InChIKey=MPROQGDUNGGOHU-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50514588   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))		BDBM50514588
PNG
(CHEMBL4439080)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(Cl)cc1F)-c1ccc2ncc(-c3nnc(CCN4CCN(C)CC4)o3)n2c1
Show InChI InChI=1S/C28H28ClFN8O4S/c1-36-9-11-37(12-10-36)8-7-26-33-34-28(42-26)23-16-31-25-6-3-18(17-38(23)25)19-13-22(27(41-2)32-15-19)35-43(39,40)24-5-4-20(29)14-21(24)30/h3-6,13-17,35H,7-12H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.220n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal His-tagged p110alpha/p85alpha expressed in baculovirus expression system using PIP2 as substra...

J Med Chem 63: 3028-3046 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01736
More data for this
Ligand-Target Pair