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SMILES: Cc1n[nH]c(C)c1CCc1nc2c3ccccc3[nH]c(=S)n2n1

InChI Key: InChIKey=WZWIDDPFFNKVMF-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 138366   
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))
BDBM138366
PNG
(US10278929, Compound 15 | US8877795, 15)
Show SMILES Cc1n[nH]c(C)c1CCc1nc2c3ccccc3[nH]c(=S)n2n1
Show InChI InChI=1S/C16H16N6S/c1-9-11(10(2)20-19-9)7-8-14-18-15-12-5-3-4-6-13(12)17-16(23)22(15)21-14/h3-6H,7-8H2,1-2H3,(H,17,23)(H,19,20)
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.31E+3n/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
Transthyretin


(Homo sapiens (Human))
US11337935, Compound 15
PNG
(US10278929, Compound 15 | US8877795, 15)
Show SMILES Cc1n[nH]c(C)c1CCc1nc2c3ccccc3[nH]c(=S)n2n1
Show InChI InChI=1S/C16H16N6S/c1-9-11(10(2)20-19-9)7-8-14-18-15-12-5-3-4-6-13(12)17-16(23)22(15)21-14/h3-6H,7-8H2,1-2H3,(H,17,23)(H,19,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
n/an/a 1.31E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM138366
PNG
(US10278929, Compound 15 | US8877795, 15)
Show SMILES Cc1n[nH]c(C)c1CCc1nc2c3ccccc3[nH]c(=S)n2n1
Show InChI InChI=1S/C16H16N6S/c1-9-11(10(2)20-19-9)7-8-14-18-15-12-5-3-4-6-13(12)17-16(23)22(15)21-14/h3-6H,7-8H2,1-2H3,(H,17,23)(H,19,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
US Patent
n/an/a 1.31E+3n/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