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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 = 'BDBM50079851'   
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)
BDBM50079851
PNG
(CHEMBL441797 | N'-{(S)-2-[(R)-3-(3-Cyclohexyl-prop...)
Show SMILES CCC[C@H](N1CC[C@@H](NCCCC2CCCCC2)C1=O)C(=O)NN(CC(C)C)C(N)=O
Show InChI InChI=1S/C23H43N5O3/c1-4-9-20(21(29)26-28(23(24)31)16-17(2)3)27-15-13-19(22(27)30)25-14-8-12-18-10-6-5-7-11-18/h17-20,25H,4-16H2,1-3H3,(H2,24,31)(H,26,29)/t19-,20+/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