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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transthyretin' and Ligand = 'BDBM128242'   
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))
BDBM128242
PNG
((2S,6R)-6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1-(...)
Show SMILES COc1ccc(cc1)[C@@H]1CC=C([C@@H](N1S(=O)(=O)c1ccccc1C)c1ccccc1F)C(O)=O |c:11|
Show InChI InChI=1S/C26H24FNO5S/c1-17-7-3-6-10-24(17)34(31,32)28-23(18-11-13-19(33-2)14-12-18)16-15-21(26(29)30)25(28)20-8-4-5-9-22(20)27/h3-15,23,25H,16H2,1-2H3,(H,29,30)/t23-,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.63E+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))
BDBM128242
PNG
((2S,6R)-6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1-(...)
Show SMILES COc1ccc(cc1)[C@@H]1CC=C([C@@H](N1S(=O)(=O)c1ccccc1C)c1ccccc1F)C(O)=O |c:11|
Show InChI InChI=1S/C26H24FNO5S/c1-17-7-3-6-10-24(17)34(31,32)28-23(18-11-13-19(33-2)14-12-18)16-15-21(26(29)30)25(28)20-8-4-5-9-22(20)27/h3-15,23,25H,16H2,1-2H3,(H,29,30)/t23-,25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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