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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transthyretin' and Ligand = 'BDBM128217'   
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))
BDBM128217
PNG
((3-amino-7-methoxy-1-pyrazolo[3,4-b]quinolinyl)-(2...)
Show SMILES COc1ccc2cc3c(N)nn(C(=O)c4ccccc4[N+]([O-])=O)c3nc2c1
Show InChI InChI=1S/C18H13N5O4/c1-27-11-7-6-10-8-13-16(19)21-22(17(13)20-14(10)9-11)18(24)12-4-2-3-5-15(12)23(25)26/h2-9H,1H3,(H2,19,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.48E+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))
BDBM128217
PNG
((3-amino-7-methoxy-1-pyrazolo[3,4-b]quinolinyl)-(2...)
Show SMILES COc1ccc2cc3c(N)nn(C(=O)c4ccccc4[N+]([O-])=O)c3nc2c1
Show InChI InChI=1S/C18H13N5O4/c1-27-11-7-6-10-8-13-16(19)21-22(17(13)20-14(10)9-11)18(24)12-4-2-3-5-15(12)23(25)26/h2-9H,1H3,(H2,19,21)
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