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BDBM50079849 (R)-2-[(R)-3-(3-Cyclohexyl-propylamino)-2-oxo-3-propyl-pyrrolidin-1-yl]-pentanoic acid ((S)-1-carbamoyl-3-methyl-butyl)-amide::CHEMBL66951

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-QHWMMSMNSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50079849   
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)		BDBM50079849
PNG
((R)-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
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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