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BDBM138383 US10278929, Compound 32::US8877795, 32

SMILES: CC(C)CCNC(=O)c1cnn2c(O)c(Cc3ccccc3F)c(C)nc12

InChI Key: InChIKey=ZRXHJPHGYAJOIF-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 138383   
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
Transthyretin


(Homo sapiens (Human))
BDBM138383
PNG
(US10278929, Compound 32 | US8877795, 32)
Show SMILES CC(C)CCNC(=O)c1cnn2c(O)c(Cc3ccccc3F)c(C)nc12
Show InChI InChI=1S/C20H23FN4O2/c1-12(2)8-9-22-19(26)16-11-23-25-18(16)24-13(3)15(20(25)27)10-14-6-4-5-7-17(14)21/h4-7,11-12,27H,8-10H2,1-3H3,(H,22,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.10E+4n/an/an/an/an/an/a



IRBM/Merck



Assay Description
The FP assay was then adapted for HTS and used to screen a ˜120,000 member small molecule library for compounds that displaced the FP probe from the ...


Bioorg Med Chem Lett 18: 3456-61 (2008)


BindingDB Entry DOI: 10.7270/Q2H70J43
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM138383
PNG
(US10278929, Compound 32 | US8877795, 32)
Show SMILES CC(C)CCNC(=O)c1cnn2c(O)c(Cc3ccccc3F)c(C)nc12
Show InChI InChI=1S/C20H23FN4O2/c1-12(2)8-9-22-19(26)16-11-23-25-18(16)24-13(3)15(20(25)27)10-14-6-4-5-7-17(14)21/h4-7,11-12,27H,8-10H2,1-3H3,(H,22,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.10E+4n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
The FP assay was then adapted for HTS and used to screen ~120,000 small molecule library for compounds that displaced probe 5 from the T4 binding of ...


US Patent US8877795 (2014)


BindingDB Entry DOI: 10.7270/Q2HT2N1M
More data for this
Ligand-Target Pair