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BDBM50079848 (S)-2-(3-Cyclohexyl-propylamino)-2-methyl-pentanoic acid [(S)-1-((S)-1-carbamoyl-3-methyl-butylcarbamoyl)-butyl]-amide::CHEMBL67080

SMILES: CCC[C@H](NC(=O)[C@](C)(CCC)NCCCC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(N)=O

InChI Key: InChIKey=SLCSAAHNPBPCAA-MCEYFSPLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50079848   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
MHC class II


(Rattus norvegicus)
BDBM50079848
PNG
((S)-2-(3-Cyclohexyl-propylamino)-2-methyl-pentanoi...)
Show SMILES CCC[C@H](NC(=O)[C@](C)(CCC)NCCCC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C26H50N4O3/c1-6-12-21(24(32)29-22(23(27)31)18-19(3)4)30-25(33)26(5,16-7-2)28-17-11-15-20-13-9-8-10-14-20/h19-22,28H,6-18H2,1-5H3,(H2,27,31)(H,29,32)(H,30,33)/t21-,22-,26-/m0/s1
PDB

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PC cid
PC sid
UniChem
PubMed
n/an/a 100n/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