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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 = 'BDBM50079847'   
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)
BDBM50079847
PNG
(1-(3-Cyclohexyl-propylamino)-cyclopentanecarboxyli...)
Show SMILES CCC[C@H](NC(=O)C1(CCCC1)NCCCC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C26H48N4O3/c1-4-11-21(24(32)29-22(23(27)31)18-19(2)3)30-25(33)26(15-8-9-16-26)28-17-10-14-20-12-6-5-7-13-20/h19-22,28H,4-18H2,1-3H3,(H2,27,31)(H,29,32)(H,30,33)/t21-,22-/m0/s1
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PC cid
PC sid
UniChem
PubMed
n/an/a 1.26E+3n/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