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BDBM50079833 (S)-2-[(R)-3-(3-Cyclohexyl-propylamino)-2-oxo-pyrrolidin-1-yl]-pentanoic acid ((S)-1-carbamoyl-3-methyl-butyl)-amide::CHEMBL303099

SMILES: CCC[C@H](N1CC[C@@H](NCCCC2CCCCC2)C1=O)C(=O)N[C@@H](CC(C)C)C(N)=O

InChI Key: InChIKey=CPWOKALQLDEEOB-HKBOAZHASA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50079833   
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)
BDBM50079833
PNG
((S)-2-[(R)-3-(3-Cyclohexyl-propylamino)-2-oxo-pyrr...)
Show SMILES CCC[C@H](N1CC[C@@H](NCCCC2CCCCC2)C1=O)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C24H44N4O3/c1-4-9-21(23(30)27-20(22(25)29)16-17(2)3)28-15-13-19(24(28)31)26-14-8-12-18-10-6-5-7-11-18/h17-21,26H,4-16H2,1-3H3,(H2,25,29)(H,27,30)/t19-,20+,21+/m1/s1
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 760n/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
MHC class II


(Rattus norvegicus)
BDBM50079833
PNG
((S)-2-[(R)-3-(3-Cyclohexyl-propylamino)-2-oxo-pyrr...)
Show SMILES CCC[C@H](N1CC[C@@H](NCCCC2CCCCC2)C1=O)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C24H44N4O3/c1-4-9-21(23(30)27-20(22(25)29)16-17(2)3)28-15-13-19(24(28)31)26-14-8-12-18-10-6-5-7-11-18/h17-21,26H,4-16H2,1-3H3,(H2,25,29)(H,27,30)/t19-,20+,21+/m1/s1
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 760n/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