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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 = 'BDBM50079853'   
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)
BDBM50079853
PNG
((S)-2-[(R)-3-(3-Cyclohexyl-propylamino)-2-oxo-pyrr...)
Show SMILES CCCCN(CCCC)NC(=O)[C@H](CCC)N1CC[C@@H](NCCCC2CCCCC2)C1=O
Show InChI InChI=1S/C26H50N4O2/c1-4-7-19-29(20-8-5-2)28-25(31)24(13-6-3)30-21-17-23(26(30)32)27-18-12-16-22-14-10-9-11-15-22/h22-24,27H,4-21H2,1-3H3,(H,28,31)/t23-,24+/m1/s1
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PC cid
PC sid
UniChem
PubMed
n/an/a>5.00E+4n/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: 2115-8 (1999)

More data for this
Ligand-Target Pair