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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transthyretin' and Ligand = 'BDBM58653'   
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))
BDBM58653
PNG
(MLS001074376 | N-[2-(3-phenyl-1-oxa-2,8-diazaspiro...)
Show SMILES CCCNC(=O)c1ccc(N2CCC3(CC(=NO3)c3ccccc3)CC2)c(NC(=O)c2ccco2)c1 |c:15|
Show InChI InChI=1S/C28H30N4O4/c1-2-14-29-26(33)21-10-11-24(22(18-21)30-27(34)25-9-6-17-35-25)32-15-12-28(13-16-32)19-23(31-36-28)20-7-4-3-5-8-20/h3-11,17-18H,2,12-16,19H2,1H3,(H,29,33)(H,30,34)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PCBioAssay
n/an/a>1.67E+5n/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))
BDBM58653
PNG
(MLS001074376 | N-[2-(3-phenyl-1-oxa-2,8-diazaspiro...)
Show SMILES CCCNC(=O)c1ccc(N2CCC3(CC(=NO3)c3ccccc3)CC2)c(NC(=O)c2ccco2)c1 |c:15|
Show InChI InChI=1S/C28H30N4O4/c1-2-14-29-26(33)21-10-11-24(22(18-21)30-27(34)25-9-6-17-35-25)32-15-12-28(13-16-32)19-23(31-36-28)20-7-4-3-5-8-20/h3-11,17-18H,2,12-16,19H2,1H3,(H,29,33)(H,30,34)
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