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BDBM50079843 CHEMBL68009::N'-{(S)-2-[(R)-3-(3-Cyclohexyl-propylamino)-2-oxo-pyrrolidin-1-yl]-pentanoyl}-N-isobutyl-hydrazinecarboxylic acid ethyl ester

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

InChI Key: InChIKey=MBVXJKVSDUMKNK-YADHBBJMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50079843   
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)
BDBM50079843
PNG
(CHEMBL68009 | N'-{(S)-2-[(R)-3-(3-Cyclohexyl-propy...)
Show SMILES CCC[C@H](N1CC[C@@H](NCCCC2CCCCC2)C1=O)C(=O)NN(CC(C)C)C(=O)OCC
Show InChI InChI=1S/C25H46N4O4/c1-5-11-22(23(30)27-29(18-19(3)4)25(32)33-6-2)28-17-15-21(24(28)31)26-16-10-14-20-12-8-7-9-13-20/h19-22,26H,5-18H2,1-4H3,(H,27,30)/t21-,22+/m1/s1
PDB

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UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4.70E+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