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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transthyretin' and Ligand = 'BDBM128238'   
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))
BDBM128238
PNG
(2-(9-benzyl-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-...)
Show SMILES CC1CN(Cc2ccccc2)c2nc3n(C)c(=O)n(CC(N)=O)c(=O)c3n2C1
Show InChI InChI=1S/C19H22N6O3/c1-12-8-23(10-13-6-4-3-5-7-13)18-21-16-15(24(18)9-12)17(27)25(11-14(20)26)19(28)22(16)2/h3-7,12H,8-11H2,1-2H3,(H2,20,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

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))
BDBM128238
PNG
(2-(9-benzyl-1,7-dimethyl-2,4-dioxo-7,8-dihydro-6H-...)
Show SMILES CC1CN(Cc2ccccc2)c2nc3n(C)c(=O)n(CC(N)=O)c(=O)c3n2C1
Show InChI InChI=1S/C19H22N6O3/c1-12-8-23(10-13-6-4-3-5-7-13)18-21-16-15(24(18)9-12)17(27)25(11-14(20)26)19(28)22(16)2/h3-7,12H,8-11H2,1-2H3,(H2,20,26)
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