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BDBM50079822 CHEMBL303059::[(S)-1-((S)-1-{(S)-1-[((S)-1-Carbamoyl-3-methyl-butyl)-methyl-carbamoyl]-ethylcarbamoyl}-ethylcarbamoyl)-2-phenyl-ethyl]-carbamic acid ethyl ester

SMILES: CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(N)=O

InChI Key: InChIKey=NVSNZUINUMVINV-ZULIPRJHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50079822   
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)
BDBM50079822
PNG
(CHEMBL303059 | [(S)-1-((S)-1-{(S)-1-[((S)-1-Carbam...)
Show SMILES CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C25H39N5O6/c1-7-36-25(35)29-19(14-18-11-9-8-10-12-18)23(33)27-16(4)22(32)28-17(5)24(34)30(6)20(21(26)31)13-15(2)3/h8-12,15-17,19-20H,7,13-14H2,1-6H3,(H2,26,31)(H,27,33)(H,28,32)(H,29,35)/t16-,17-,19-,20-/m0/s1
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UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 8.80E+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...


Citation and Details
More data for this
Ligand-Target Pair