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BDBM50403088 CHEMBL2216844

SMILES: COc1cc2c(CC3CCCC(C)C3)c(sc2cc1C)C(=O)Nc1nnn[nH]1

InChI Key: InChIKey=VFNNESNZARAGRT-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50403088   
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 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50403088
PNG
(CHEMBL2216844)
Show SMILES COc1cc2c(CC3CCCC(C)C3)c(sc2cc1C)C(=O)Nc1nnn[nH]1
Show InChI InChI=1S/C20H25N5O2S/c1-11-5-4-6-13(7-11)9-15-14-10-16(27-3)12(2)8-17(14)28-18(15)19(26)21-20-22-24-25-23-20/h8,10-11,13H,4-7,9H2,1-3H3,(H2,21,22,23,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta


J Med Chem 55: 8559-81 (2012)


Article DOI: 10.1021/jm300847w
BindingDB Entry DOI: 10.7270/Q2SN0B47
More data for this
Ligand-Target Pair