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BDBM50079854 (S)-2-(3-Cyclohexyl-propylamino)-pentanoic acid [(S)-1-((S)-1-carbamoyl-3-methyl-butylcarbamoyl)-butyl]-amide::CHEMBL68003

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

InChI Key: InChIKey=JAIGSUZKOQFPSA-FKBYEOEOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50079854   
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)
BDBM50079854
PNG
((S)-2-(3-Cyclohexyl-propylamino)-pentanoic acid [(...)
Show SMILES CCC[C@H](NCCCC1CCCCC1)C(=O)N[C@@H](CCC)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C25H48N4O3/c1-5-11-20(27-16-10-15-19-13-8-7-9-14-19)24(31)28-21(12-6-2)25(32)29-22(23(26)30)17-18(3)4/h18-22,27H,5-17H2,1-4H3,(H2,26,30)(H,28,31)(H,29,32)/t20-,21-,22-/m0/s1
PDB

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PC cid
PC sid
UniChem
PubMed
n/an/a 25n/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