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BDBM108158 US8598157, I-35

SMILES: CCc1nc(N)nc(N2CCC(O)CC2)c1C#Cc1cnc(C)c(NS(C)(=O)=O)c1

InChI Key: InChIKey=WXFLNXCFUJIOPX-UHFFFAOYSA-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 = 108158   
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 alpha isoform


(Homo sapiens (Human))
BDBM108158
PNG
(US8598157, I-35)
Show SMILES CCc1nc(N)nc(N2CCC(O)CC2)c1C#Cc1cnc(C)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C20H26N6O3S/c1-4-17-16(19(24-20(21)23-17)26-9-7-15(27)8-10-26)6-5-14-11-18(13(2)22-12-14)25-30(3,28)29/h11-12,15,25,27H,4,7-10H2,1-3H3,(H2,21,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 5n/an/an/an/an/a7.5



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This PI3Kalpha assay provides an IC50 value indicative of the activity of the compounds to inhibit PI3 kinase alpha activity. Inhibition of PI3 kinas...


US Patent US8598157 (2013)


BindingDB Entry DOI: 10.7270/Q2X928ZQ
More data for this
Ligand-Target Pair