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BDBM50079845 (S)-2-[(R)-3-(3-Cyclohexyl-propylamino)-2-oxo-3-propyl-pyrrolidin-1-yl]-pentanoic acid ((S)-1-carbamoyl-3-methyl-butyl)-amide::CHEMBL63853

SMILES: CCC[C@H](N1CC[C@@](CCC)(NCCCC2CCCCC2)C1=O)C(=O)N[C@@H](CC(C)C)C(N)=O

InChI Key: InChIKey=UIIXBVIBMYKPTA-VMODYCNZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50079845   
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)
BDBM50079845
PNG
((S)-2-[(R)-3-(3-Cyclohexyl-propylamino)-2-oxo-3-pr...)
Show SMILES CCC[C@H](N1CC[C@@](CCC)(NCCCC2CCCCC2)C1=O)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C27H50N4O3/c1-5-11-23(25(33)30-22(24(28)32)19-20(3)4)31-18-16-27(15-6-2,26(31)34)29-17-10-14-21-12-8-7-9-13-21/h20-23,29H,5-19H2,1-4H3,(H2,28,32)(H,30,33)/t22-,23-,27+/m0/s1
PDB

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PC cid
PC sid
UniChem
PubMed
n/an/a 150n/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