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BDBM50079844 CHEMBL66358::N-Butyl-N'-{(S)-2-[(R)-3-(3-cyclohexyl-propylamino)-2-oxo-3-propyl-pyrrolidin-1-yl]-pentanoyl}-hydrazinecarboxylic acid ethyl ester

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

InChI Key: InChIKey=VRRUTUVTDHFHTP-RBJSKKJNSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50079844   
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)		BDBM50079844
PNG
(CHEMBL66358 | N-Butyl-N'-{(S)-2-[(R)-3-(3-cyclohex...)
Show SMILES CCCCN(NC(=O)[C@H](CCC)N1CC[C@@](CCC)(NCCCC2CCCCC2)C1=O)C(=O)OCC
Show InChI InChI=1S/C28H52N4O4/c1-5-9-21-32(27(35)36-8-4)30-25(33)24(14-6-2)31-22-19-28(18-7-3,26(31)34)29-20-13-17-23-15-11-10-12-16-23/h23-24,29H,5-22H2,1-4H3,(H,30,33)/t24-,28+/m0/s1
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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 240n/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