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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calnexin'   
Target
(Institution)
LigandTarget
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
Calnexin


(Homo sapiens)
BDBM50421603
PNG
(CHEMBL2303776)
Show SMILES OC[C@@H]1C[C@H](OC(=O)NCCOCCOC(=O)NC(O)NC(=O)OC(CNC(=O)OCCNC(=O)O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CNC(=O)OCCNC(=O)O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O
Show InChI InChI=1S/C44H75N7O35/c52-12-16-9-18(26(60)33(22(16)56)84-34-30(64)27(61)23(57)19(13-53)80-34)83-40(70)45-1-4-75-7-8-78-43(73)50-37(67)51-44(74)79-17(10-48-38(68)76-5-2-46-41(71)85-35-31(65)28(62)24(58)20(14-54)81-35)11-49-39(69)77-6-3-47-42(72)86-36-32(66)29(63)25(59)21(15-55)82-36/h16-37,52-67H,1-15H2,(H,45,70)(H,46,71)(H,47,72)(H,48,68)(H,49,69)(H,50,73)(H,51,74)/t16-,18-,19-,20-,21-,22+,23+,24+,25+,26-,27-,28-,29-,30-,31+,32+,33-,34+,35+,36+,37?/m0/s1
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PubMed
n/an/a 3.00E+5n/an/an/an/an/an/a



UMR 176 CNRS-Institut Curie

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit binding of [3H]- Glc1Man9 GlcNAc2 to GST-fused calnexin immobilized on glutathione-agarose


Bioorg Med Chem Lett 12: 1237-40 (2002)

More data for this
Ligand-Target Pair