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BDBM50266027 (S)-3-((S)-4-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanamido)-3-oxo-4,5-dihydro-1H-benzo[c]azepin-2(3H)-yl)-4-(benzylamino)-4-oxobutanoic acid::CHEMBL505855

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN([C@@H](CC(O)=O)C(=O)NCc2ccccc2)C1=O

InChI Key: InChIKey=OIOMSKUPICZAGT-KCHLEUMXSA-N

Data: 2 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 2 hits for monomerid = 50266027   
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


(Rattus norvegicus (rat))
BDBM50266027
PNG
((S)-3-((S)-4-((S)-2-amino-3-(4-hydroxy-2,6-dimethy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN([C@@H](CC(O)=O)C(=O)NCc2ccccc2)C1=O |r|
Show InChI InChI=1S/C32H36N4O6/c1-19-12-24(37)13-20(2)25(19)15-26(33)30(40)35-27-14-22-10-6-7-11-23(22)18-36(32(27)42)28(16-29(38)39)31(41)34-17-21-8-4-3-5-9-21/h3-13,26-28,37H,14-18,33H2,1-2H3,(H,34,41)(H,35,40)(H,38,39)/t26-,27-,28-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
630n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain synaptosomal membranes


Bioorg Med Chem Lett 19: 433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.051
BindingDB Entry DOI: 10.7270/Q2K64HZ7
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50266027
PNG
((S)-3-((S)-4-((S)-2-amino-3-(4-hydroxy-2,6-dimethy...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H]1Cc2ccccc2CN([C@@H](CC(O)=O)C(=O)NCc2ccccc2)C1=O |r|
Show InChI InChI=1S/C32H36N4O6/c1-19-12-24(37)13-20(2)25(19)15-26(33)30(40)35-27-14-22-10-6-7-11-23(22)18-36(32(27)42)28(16-29(38)39)31(41)34-17-21-8-4-3-5-9-21/h3-13,26-28,37H,14-18,33H2,1-2H3,(H,34,41)(H,35,40)(H,38,39)/t26-,27-,28-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.48E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor in Sprague-Dawley rat brain synaptosomal membranes


Bioorg Med Chem Lett 19: 433-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.051
BindingDB Entry DOI: 10.7270/Q2K64HZ7
More data for this
Ligand-Target Pair