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BDBM50168295 CHEMBL3805769

SMILES: C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1

InChI Key: InChIKey=RCBUNIKUAXBZFY-JTQLQIEISA-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 = 50168295   
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))
BDBM50168295
PNG
(CHEMBL3805769)
Show SMILES C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Show InChI InChI=1S/C20H17Cl2N7O/c1-10(25-17-15(22)16(23)27-20(24)28-17)18-26-13-9-5-8-12(21)14(13)19(30)29(18)11-6-3-2-4-7-11/h2-10H,1H3,(H5,23,24,25,27,28)/t10-/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

Similars

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