BindingDB logo
myBDB logout

null

SMILES: CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(F)c1

InChI Key: InChIKey=WBBGBYCWLKDJJV-AWEZNQCLSA-N

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 = 198024   
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


(Homo sapiens (Human))
BDBM198024
PNG
(US9221795, 20)
Show SMILES CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(F)c1 |r|
Show InChI InChI=1S/C21H17ClFN9O/c1-2-14(28-18-12(7-24)17(25)30-21(26)31-18)19-29-15-5-3-4-13(22)16(15)20(33)32(19)11-6-10(23)8-27-9-11/h3-6,8-9,14H,2H2,1H3,(H5,25,26,28,30,31)/t14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/a7.4n/a



Gilead Sciences, Inc.

US Patent


Assay Description
Class I PI3K isoforms were expressed and purified as heterodimeric recombinant proteins. All assay reagents and buffers for the TR-FRET assay were pu...


US Patent US9221795 (2015)


BindingDB Entry DOI: 10.7270/Q29C6W8T
More data for this
Ligand-Target Pair