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BDBM50168311 CHEMBL3805522

SMILES: COc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1nc(N)nc(N)c1C#N

InChI Key: InChIKey=AAPDZIUHIRPCOU-NSHDSACASA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50168311   
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
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50168311
PNG
(CHEMBL3805522)
Show SMILES COc1cccc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1nc(N)nc(N)c1C#N |r|
Show InChI InChI=1S/C22H19ClN8O2/c1-11(27-19-14(10-24)18(25)29-22(26)30-19)20-28-16-8-4-7-15(23)17(16)21(32)31(20)12-5-3-6-13(9-12)33-2/h3-9,11H,1-2H3,(H5,25,26,27,29,30)/t11-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition human full length PI3Kdelta catalytic subunit/p85alpha assessed as formation of PIP3 after 30 mins by europium labeled GRP-based TR-FRET a...


J Med Chem 59: 3532-48 (2016)


BindingDB Entry DOI: 10.7270/Q22Z17F0
More data for this
Ligand-Target Pair