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BDBM357491 US10214519, Example 235

SMILES: CCCc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)N1CCOCC1)-c1nc(C)cs1

InChI Key: InChIKey=SPBFTQSQIBPLDT-UHFFFAOYSA-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 = 357491   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 3-kinase regulatory subunit beta


(Homo sapiens (Human))
BDBM357491
PNG
(US10214519, Example 235)
Show SMILES CCCc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)N1CCOCC1)-c1nc(C)cs1
Show InChI InChI=1S/C27H25F2N5OS/c1-3-4-23-32-25-18(27-31-16(2)15-36-27)13-17(33-9-11-35-12-10-33)14-22(25)34(23)21-7-8-30-26-20(29)6-5-19(28)24(21)26/h5-8,13-15H,3-4,9-12H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 17n/an/an/an/an/an/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 US10214519 (2019)


BindingDB Entry DOI: 10.7270/Q2P84F5Q
More data for this
Ligand-Target Pair