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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transthyretin' and Ligand = 'BDBM128205'   
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))
BDBM128205
PNG
(6-(1,3-benzodioxol-5-yl)-3-cyclohexyl-7H-[1,2,4]tr...)
Show SMILES C1Oc2ccc(cc2O1)C1=Nn2c(SC1)nnc2C1CCCCC1 |t:11|
Show InChI InChI=1S/C17H18N4O2S/c1-2-4-11(5-3-1)16-18-19-17-21(16)20-13(9-24-17)12-6-7-14-15(8-12)23-10-22-14/h6-8,11H,1-5,9-10H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.71E+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))
BDBM128205
PNG
(6-(1,3-benzodioxol-5-yl)-3-cyclohexyl-7H-[1,2,4]tr...)
Show SMILES C1Oc2ccc(cc2O1)C1=Nn2c(SC1)nnc2C1CCCCC1 |t:11|
Show InChI InChI=1S/C17H18N4O2S/c1-2-4-11(5-3-1)16-18-19-17-21(16)20-13(9-24-17)12-6-7-14-15(8-12)23-10-22-14/h6-8,11H,1-5,9-10H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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