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BDBM50079826 (S)-2-{(S)-2-[2-(3-Cyclohexyl-propylamino)-2-methyl-propionylamino]-pentanoylamino}-4-methyl-pentanoic acid amide::CHEMBL64939

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

InChI Key: InChIKey=BWWXLLHBVYXYQQ-PMACEKPBSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50079826   
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)		BDBM50079826
PNG
((S)-2-{(S)-2-[2-(3-Cyclohexyl-propylamino)-2-methy...)
Show SMILES CCC[C@H](NC(=O)C(C)(C)NCCCC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C24H46N4O3/c1-6-11-19(22(30)27-20(21(25)29)16-17(2)3)28-23(31)24(4,5)26-15-10-14-18-12-8-7-9-13-18/h17-20,26H,6-16H2,1-5H3,(H2,25,29)(H,27,30)(H,28,31)/t19-,20-/m0/s1
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PC sid
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Similars
PubMed
n/an/a 260n/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: 2109-14 (1999)


BindingDB Entry DOI: 10.7270/Q2NZ86TF
More data for this
Ligand-Target Pair