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BDBM50041149 (S)-2-Amino-3-(4-hydroxy-phenyl)-N-((5R,8R,15aS)-5-naphthalen-2-ylmethyl-4,7,12,15-tetraoxo-tetradecahydro-3a,6,11,14-tetraaza-cyclopentacyclotetradecen-8-yl)-propionamide::CHEMBL278889

SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc3ccccc3c2)NC1=O

InChI Key: InChIKey=AKLNDWRVJOAYFT-HFLBTKGNSA-N

Data: 2 KI

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50041149   
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))
BDBM50041149
PNG
((S)-2-Amino-3-(4-hydroxy-phenyl)-N-((5R,8R,15aS)-5...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc3ccccc3c2)NC1=O
Show InChI InChI=1S/C33H38N6O6/c34-25(17-20-8-11-24(40)12-9-20)30(42)37-26-13-14-35-29(41)19-36-32(44)28-6-3-15-39(28)33(45)27(38-31(26)43)18-21-7-10-22-4-1-2-5-23(22)16-21/h1-2,4-5,7-12,16,25-28,40H,3,6,13-15,17-19,34H2,(H,35,41)(H,36,44)(H,37,42)(H,38,43)/t25-,26+,27+,28-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
6.40n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Binding affinity for mu opioid receptors by displacement of [3H]-DAMGO from rat brain membrane binding site


J Med Chem 37: 1136-44 (1994)


Article DOI: 10.1021/jm00034a011
BindingDB Entry DOI: 10.7270/Q22Z1650
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50041149
PNG
((S)-2-Amino-3-(4-hydroxy-phenyl)-N-((5R,8R,15aS)-5...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc3ccccc3c2)NC1=O
Show InChI InChI=1S/C33H38N6O6/c34-25(17-20-8-11-24(40)12-9-20)30(42)37-26-13-14-35-29(41)19-36-32(44)28-6-3-15-39(28)33(45)27(38-31(26)43)18-21-7-10-22-4-1-2-5-23(22)16-21/h1-2,4-5,7-12,16,25-28,40H,3,6,13-15,17-19,34H2,(H,35,41)(H,36,44)(H,37,42)(H,38,43)/t25-,26+,27+,28-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
71n/an/an/an/an/an/an/an/a



Clinical Research Institute of Montreal

Curated by ChEMBL


Assay Description
Binding affinity for delta opioid receptors was determined by displacement of [3H]DSLET from rat brain membrane binding site


J Med Chem 37: 1136-44 (1994)


Article DOI: 10.1021/jm00034a011
BindingDB Entry DOI: 10.7270/Q22Z1650
More data for this
Ligand-Target Pair