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BDBM236977 US9388189, 157

SMILES: COc1ncc(cc1NS(=O)(=O)c1ccc(O)cc1)-c1c(N)ncnc1N[C@@H](C)c1nn2ccc(C)c2c(=O)n1-c1ccccc1

InChI Key: InChIKey=UGPVIIQOJRQXIW-IBGZPJMESA-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 = 236977   
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))
BDBM236977
PNG
(US9388189, 157)
Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(O)cc1)-c1c(N)ncnc1N[C@@H](C)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C31H29N9O5S/c1-18-13-14-39-26(18)31(42)40(21-7-5-4-6-8-21)29(37-39)19(2)36-28-25(27(32)34-17-35-28)20-15-24(30(45-3)33-16-20)38-46(43,44)23-11-9-22(41)10-12-23/h4-17,19,38,41H,1-3H3,(H3,32,34,35,36)/t19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/an/an/an/an/an/a



Almirall, S.A.

US Patent


Assay Description
PI-3 Kinase HTRF kit (ref. #33-037) and the different PI3K recombinant isoforms (ref. #14-602, ref. #14-603, ref. #14-604, ref. #15-558 for Alpha, Be...


US Patent US9388189 (2016)


BindingDB Entry DOI: 10.7270/Q2K64H0P
More data for this
Ligand-Target Pair