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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transthyretin' and Ligand = 'BDBM128233'   
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))
BDBM128233
PNG
((5Z)-5-[(E)-3-(1,3-benzodioxol-5-yl)-1-hydroxy-pro...)
Show SMILES CCCCN1C(=O)NC(=O)\C(=C(\O)/C=C/c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C18H18N2O6/c1-2-3-8-20-17(23)15(16(22)19-18(20)24)12(21)6-4-11-5-7-13-14(9-11)26-10-25-13/h4-7,9,21H,2-3,8,10H2,1H3,(H,19,22,24)/b6-4+,15-12-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 9.09E+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))
BDBM128233
PNG
((5Z)-5-[(E)-3-(1,3-benzodioxol-5-yl)-1-hydroxy-pro...)
Show SMILES CCCCN1C(=O)NC(=O)\C(=C(\O)/C=C/c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C18H18N2O6/c1-2-3-8-20-17(23)15(16(22)19-18(20)24)12(21)6-4-11-5-7-13-14(9-11)26-10-25-13/h4-7,9,21H,2-3,8,10H2,1H3,(H,19,22,24)/b6-4+,15-12-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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