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BDBM50079853 (S)-2-[(R)-3-(3-Cyclohexyl-propylamino)-2-oxo-pyrrolidin-1-yl]-pentanoic acid N',N'-dibutyl-hydrazide::CHEMBL442745

SMILES: CCCCN(CCCC)NC(=O)[C@H](CCC)N1CC[C@@H](NCCCC2CCCCC2)C1=O

InChI Key: InChIKey=REXRFHCGKNRUGY-RPWUZVMVSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50079853   
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)		BDBM50079853
PNG
((S)-2-[(R)-3-(3-Cyclohexyl-propylamino)-2-oxo-pyrr...)
Show SMILES CCCCN(CCCC)NC(=O)[C@H](CCC)N1CC[C@@H](NCCCC2CCCCC2)C1=O
Show InChI InChI=1S/C26H50N4O2/c1-4-7-19-29(20-8-5-2)28-25(31)24(13-6-3)30-21-17-23(26(30)32)27-18-12-16-22-14-10-9-11-15-22/h22-24,27H,4-21H2,1-3H3,(H,28,31)/t23-,24+/m1/s1
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PC cid
PC sid
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Similars
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: 2115-8 (1999)


BindingDB Entry DOI: 10.7270/Q2J67G3F
More data for this
Ligand-Target Pair