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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 = 'BDBM50079835'   
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)
BDBM50079835
PNG
(((S)-2-{(R)-1-[(S)-1-((S)-1-Carbamoyl-3-methyl-but...)
Show SMILES CCC[C@H](N1CC[C@@H](NC[C@H](CC2CCCCC2)NC(=O)OCC)C1=O)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C27H49N5O5/c1-5-10-23(25(34)31-22(24(28)33)15-18(3)4)32-14-13-21(26(32)35)29-17-20(30-27(36)37-6-2)16-19-11-8-7-9-12-19/h18-23,29H,5-17H2,1-4H3,(H2,28,33)(H,30,36)(H,31,34)/t20-,21+,22-,23-/m0/s1
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UniProtKB/TrEMBL

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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: 2109-14 (1999)

More data for this
Ligand-Target Pair