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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transthyretin' and Ligand = 'BDBM128227'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transthyretin


(Homo sapiens (Human))
BDBM128227
PNG
((E)-2-[3-[(4-chlorophenyl)methylsulfanyl]-6-methyl...)
Show SMILES CN(C)\C=C\c1nc(SCc2ccc(Cl)cc2)nnc1C
Show InChI InChI=1S/C15H17ClN4S/c1-11-14(8-9-20(2)3)17-15(19-18-11)21-10-12-4-6-13(16)7-5-12/h4-9H,10H2,1-3H3/b9-8+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 8.13E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2JD4VGV
More data for this
Ligand-Target Pair
Transthyretin


(Homo sapiens (Human))
BDBM128227
PNG
((E)-2-[3-[(4-chlorophenyl)methylsulfanyl]-6-methyl...)
Show SMILES CN(C)\C=C\c1nc(SCc2ccc(Cl)cc2)nnc1C
Show InChI InChI=1S/C15H17ClN4S/c1-11-14(8-9-20(2)3)17-15(19-18-11)21-10-12-4-6-13(16)7-5-12/h4-9H,10H2,1-3H3/b9-8+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>1.67E+5n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2DN43RH
More data for this
Ligand-Target Pair