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BDBM50079850 CHEMBL67011::N-Butyl-N'-{(S)-2-[(R)-3-(3-cyclohexyl-propylamino)-3-(3-guanidino-propyl)-2-oxo-pyrrolidin-1-yl]-pentanoyl}-hydrazinecarboxylic acid ethyl ester

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

InChI Key: InChIKey=PCEKTPHWBQRXJO-PWUYWRBVSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50079850   
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)
BDBM50079850
PNG
(CHEMBL67011 | N-Butyl-N'-{(S)-2-[(R)-3-(3-cyclohex...)
Show SMILES CCCCN(NC(=O)[C@H](CCC)N1CC[C@@](CCCNC(N)=N)(NCCCC2CCCCC2)C1=O)C(=O)OCC
Show InChI InChI=1S/C29H55N7O4/c1-4-7-21-36(28(39)40-6-3)34-25(37)24(13-5-2)35-22-18-29(26(35)38,17-12-19-32-27(30)31)33-20-11-16-23-14-9-8-10-15-23/h23-24,33H,4-22H2,1-3H3,(H,34,37)(H4,30,31,32)/t24-,29+/m0/s1
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PC cid
PC sid
UniChem
PubMed
n/an/a 210n/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