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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 41982   
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
Protein disulfide-isomerase


(Homo sapiens (Human))
BDBM41982
PNG
(6-[4-morpholinyl-(3,4,5-trimethoxyphenyl)methyl]-1...)
Show SMILES COc1cc(cc(OC)c1OC)C(N1CCOCC1)c1cc2OCOc2cc1O
Show InChI InChI=1S/C21H25NO7/c1-24-18-8-13(9-19(25-2)21(18)26-3)20(22-4-6-27-7-5-22)14-10-16-17(11-15(14)23)29-12-28-16/h8-11,20,23H,4-7,12H2,1-3H3
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 640n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human wild-type N-terminal His-tagged PDIA1 expressed in Escherichia coli strain BL21(DE3) using bovine insulin as substrat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00728
BindingDB Entry DOI: 10.7270/Q2833WQF
More data for this
Ligand-Target Pair
Mothers against decapentaplegic homolog 3


(Homo sapiens (Human))
BDBM41982
PNG
(6-[4-morpholinyl-(3,4,5-trimethoxyphenyl)methyl]-1...)
Show SMILES COc1cc(cc(OC)c1OC)C(N1CCOCC1)c1cc2OCOc2cc1O
Show InChI InChI=1S/C21H25NO7/c1-24-18-8-13(9-19(25-2)21(18)26-3)20(22-4-6-27-7-5-22)14-10-16-17(11-15(14)23)29-12-28-16/h8-11,20,23H,4-7,12H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 9.66E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: F.M. Hoffmann, University ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21R6NZ6
More data for this
Ligand-Target Pair