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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mannose-6-phosphate isomerase' and Ligand = 'BDBM46663'   
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
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM46663
PNG
(8-(1,3-benzodioxol-5-yl)-3-benzyl-6-keto-2,4,7,8-t...)
Show SMILES O=C1CC(C(C#N)=C2SCN(Cc3ccccc3)CN12)c1ccc2OCOc2c1 |t:6|
Show InChI InChI=1S/C22H19N3O3S/c23-10-18-17(16-6-7-19-20(8-16)28-14-27-19)9-21(26)25-12-24(13-29-22(18)25)11-15-4-2-1-3-5-15/h1-8,17H,9,11-14H2
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.60E+4n/an/an/an/an/an/a



Sanford-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/Q2C827QV
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM46663
PNG
(8-(1,3-benzodioxol-5-yl)-3-benzyl-6-keto-2,4,7,8-t...)
Show SMILES O=C1CC(C(C#N)=C2SCN(Cc3ccccc3)CN12)c1ccc2OCOc2c1 |t:6|
Show InChI InChI=1S/C22H19N3O3S/c23-10-18-17(16-6-7-19-20(8-16)28-14-27-19)9-21(26)25-12-24(13-29-22(18)25)11-15-4-2-1-3-5-15/h1-8,17H,9,11-14H2
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.69E+4n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2J964TC
More data for this
Ligand-Target Pair