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BDBM50359551 CHEMBL1927275

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O

InChI Key: InChIKey=QNSFCPHPWOIVJJ-WNJKUOTESA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50359551   
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50359551
PNG
(CHEMBL1927275)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C35H47N7O7/c1-20-15-23(43)16-21(2)24(20)18-25(36)32(46)40-27-19-30(44)38-13-7-6-11-26(31(37)45)39-34(48)29-12-8-14-42(29)35(49)28(41-33(27)47)17-22-9-4-3-5-10-22/h3-5,9-10,15-16,25-29,43H,6-8,11-14,17-19,36H2,1-2H3,(H2,37,45)(H,38,44)(H,39,48)(H,40,46)(H,41,47)/t25-,26-,27+,28-,29+/m0/s1
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 58.3n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin 2 from delta opioid receptor in Wistar rat brain membrane by liquid scintillation counting


Bioorg Med Chem 19: 6977-81 (2011)


Article DOI: 10.1016/j.bmc.2011.10.040
BindingDB Entry DOI: 10.7270/Q2Q52Q1R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50359551
PNG
(CHEMBL1927275)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r|
Show InChI InChI=1S/C35H47N7O7/c1-20-15-23(43)16-21(2)24(20)18-25(36)32(46)40-27-19-30(44)38-13-7-6-11-26(31(37)45)39-34(48)29-12-8-14-42(29)35(49)28(41-33(27)47)17-22-9-4-3-5-10-22/h3-5,9-10,15-16,25-29,43H,6-8,11-14,17-19,36H2,1-2H3,(H2,37,45)(H,38,44)(H,39,48)(H,40,46)(H,41,47)/t25-,26-,27+,28-,29+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.40n/an/an/an/an/an/a



Medical University of Lodz

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Wistar rat mu opioid receptor by liquid scintillation counting


Bioorg Med Chem 19: 6977-81 (2011)


Article DOI: 10.1016/j.bmc.2011.10.040
BindingDB Entry DOI: 10.7270/Q2Q52Q1R
More data for this
Ligand-Target Pair