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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'MHC class II' and Ligand = 'BDBM50079837'   
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
MHC class II


(Rattus norvegicus)
BDBM50079837
PNG
((S)-2-[(R)-3-((E)-3-Cycloheptyl-allylamino)-2-oxo-...)
Show SMILES CCC[C@H](N1CC[C@@H](NC\C=C\C2CCCCCC2)C1=O)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C25H44N4O3/c1-4-10-22(24(31)28-21(23(26)30)17-18(2)3)29-16-14-20(25(29)32)27-15-9-13-19-11-7-5-6-8-12-19/h9,13,18-22,27H,4-8,10-12,14-17H2,1-3H3,(H2,26,30)(H,28,31)/b13-9+/t20-,21+,22+/m1/s1
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PC cid
PC sid
UniChem
PubMed
n/an/a 340n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Ability to inhibit binding of biotinylated rat myelin basic protein 13-mer peptide (RMBP 90-102, Major histocompatibility complex class II to purifie...


Bioorg Med Chem Lett 9: 2109-14 (1999)

More data for this
Ligand-Target Pair