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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 = 'BDBM46596'   
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))
BDBM46596
PNG
(5-(2,5-dimethyl-1-pyrrolyl)-1,2-dihydro-1,2,4-tria...)
Show SMILES Cc1ccc(C)n1-c1n[nH]c(=S)[nH]1
Show InChI InChI=1S/C8H10N4S/c1-5-3-4-6(2)12(5)7-9-8(13)11-10-7/h3-4H,1-2H3,(H2,9,10,11,13)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.37E+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))
BDBM46596
PNG
(5-(2,5-dimethyl-1-pyrrolyl)-1,2-dihydro-1,2,4-tria...)
Show SMILES Cc1ccc(C)n1-c1n[nH]c(=S)[nH]1
Show InChI InChI=1S/C8H10N4S/c1-5-3-4-6(2)12(5)7-9-8(13)11-10-7/h3-4H,1-2H3,(H2,9,10,11,13)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.18E+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