BindingDB logo
myBDB logout

BDBM50281550 (S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-acetylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic acid ((S)-1-carbamoyl-2-hydroxy-ethyl)-amide::CHEMBL132776

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O

InChI Key: InChIKey=AAKKFHPDZYQOJN-QORCZRPOSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50281550   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50281550
PNG
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C31H43N7O8/c1-18(2)12-23(30(45)38-25(17-39)28(33)43)37-31(46)24(14-19-6-4-3-5-7-19)36-27(42)16-34-26(41)15-35-29(44)22(32)13-20-8-10-21(40)11-9-20/h3-11,18,22-25,39-40H,12-17,32H2,1-2H3,(H2,33,43)(H,34,41)(H,35,44)(H,36,42)(H,37,46)(H,38,45)/t22-,23-,24-,25-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 65n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of [3H]-DAGO binding to mu opioid receptor in crude rat brain homogenates


Bioorg Med Chem Lett 3: 405-412 (1993)


Article DOI: 10.1016/S0960-894X(01)80222-5
BindingDB Entry DOI: 10.7270/Q2VQ32MN
More data for this
Ligand-Target Pair