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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Plectin' and Ligand = 'BDBM54911'   
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
Plectin


(Homo sapiens (Human))
BDBM54911
PNG
(4-({3-bromo-4-[(2-fluorobenzyl)oxy]-5-methoxybenzy...)
Show SMILES COc1cc(CNc2ccc(O)cc2)cc(Br)c1OCc1ccccc1F
Show InChI InChI=1S/C21H19BrFNO3/c1-26-20-11-14(12-24-16-6-8-17(25)9-7-16)10-18(22)21(20)27-13-15-4-2-3-5-19(15)23/h2-11,24-25H,12-13H2,1H3
PDB
MMDB

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 4.66E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2V1236D
More data for this
Ligand-Target Pair
Plectin


(Homo sapiens (Human))
BDBM54911
PNG
(4-({3-bromo-4-[(2-fluorobenzyl)oxy]-5-methoxybenzy...)
Show SMILES COc1cc(CNc2ccc(O)cc2)cc(Br)c1OCc1ccccc1F
Show InChI InChI=1S/C21H19BrFNO3/c1-26-20-11-14(12-24-16-6-8-17(25)9-7-16)10-18(22)21(20)27-13-15-4-2-3-5-19(15)23/h2-11,24-25H,12-13H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.27E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2QZ28D7
More data for this
Ligand-Target Pair