BindingDB logo
myBDB logout

BDBM50166068 (1S,2S)-1-[2-Amino-3-((S)-4-hydroxy-phenyl)-propionylamino]-indan-2-carboxylic acid [(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethyl]-amide::CHEMBL372707

SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1[C@H](Cc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=KALWPXQBRCUQLH-PMUGGPHNSA-N

Data: 1 KI

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 = 50166068   
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
Mu-type opioid receptor


(MOUSE)
BDBM50166068
PNG
((1S,2S)-1-[2-Amino-3-((S)-4-hydroxy-phenyl)-propio...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1[C@H](Cc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C37H39N5O5/c38-30(19-25-15-17-27(43)18-16-25)36(46)42-33-28-14-8-7-13-26(28)22-29(33)35(45)41-32(21-24-11-5-2-6-12-24)37(47)40-31(34(39)44)20-23-9-3-1-4-10-23/h1-18,29-33,43H,19-22,38H2,(H2,39,44)(H,40,47)(H,41,45)(H,42,46)/t29-,30-,31-,32-,33+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
241n/an/an/an/an/an/an/an/a



University of Szeged

Curated by ChEMBL


Assay Description
Inhibition of DAMGO (Tyr-[D-Ala]-Gly-[NMe-Phe]-Gly-ol) binding to mouse brain mu opioid receptor


J Med Chem 48: 3239-50 (2005)


Article DOI: 10.1021/jm049157i
BindingDB Entry DOI: 10.7270/Q28P601Q
More data for this
Ligand-Target Pair