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BDBM50206650 (S)-N-(1-(2-amino-3-(thiazol-4-yl)propanoyl)piperidin-4-yl)-N-phenylpropionamide::CHEMBL390667

SMILES: CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)Cc1cscn1)c1ccccc1

InChI Key: InChIKey=BUGGIRZGOMYNEU-SFHVURJKSA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50206650   
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))
BDBM50206650
PNG
((S)-N-(1-(2-amino-3-(thiazol-4-yl)propanoyl)piperi...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)Cc1cscn1)c1ccccc1
Show InChI InChI=1S/C20H26N4O2S/c1-2-19(25)24(16-6-4-3-5-7-16)17-8-10-23(11-9-17)20(26)18(21)12-15-13-27-14-22-15/h3-7,13-14,17-18H,2,8-12,21H2,1H3/t18-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.70E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H] DAMGO from rat mu opioid receptor transfected in HN9.10 cells


Bioorg Med Chem Lett 17: 2161-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.114
BindingDB Entry DOI: 10.7270/Q270813K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50206650
PNG
((S)-N-(1-(2-amino-3-(thiazol-4-yl)propanoyl)piperi...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)Cc1cscn1)c1ccccc1
Show InChI InChI=1S/C20H26N4O2S/c1-2-19(25)24(16-6-4-3-5-7-16)17-8-10-23(11-9-17)20(26)18(21)12-15-13-27-14-22-15/h3-7,13-14,17-18H,2,8-12,21H2,1H3/t18-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.60E+4n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor transfected in HN9.10 cells


Bioorg Med Chem Lett 17: 2161-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.114
BindingDB Entry DOI: 10.7270/Q270813K
More data for this
Ligand-Target Pair