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BDBM50206645 (S)-N-(1-(2-amino-3-(benzo[b]thiophen-3-yl)propanoyl)piperidin-4-yl)-N-phenylpropionamide::CHEMBL230942

SMILES: CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)Cc1csc2ccccc12)c1ccccc1

InChI Key: InChIKey=BGCRLWZEKQHZFB-QFIPXVFZSA-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 = 50206645   
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))
BDBM50206645
PNG
((S)-N-(1-(2-amino-3-(benzo[b]thiophen-3-yl)propano...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)Cc1csc2ccccc12)c1ccccc1
Show InChI InChI=1S/C25H29N3O2S/c1-2-24(29)28(19-8-4-3-5-9-19)20-12-14-27(15-13-20)25(30)22(26)16-18-17-31-23-11-7-6-10-21(18)23/h3-11,17,20,22H,2,12-16,26H2,1H3/t22-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.60E+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))
BDBM50206645
PNG
((S)-N-(1-(2-amino-3-(benzo[b]thiophen-3-yl)propano...)
Show SMILES CCC(=O)N(C1CCN(CC1)C(=O)[C@@H](N)Cc1csc2ccccc12)c1ccccc1
Show InChI InChI=1S/C25H29N3O2S/c1-2-24(29)28(19-8-4-3-5-9-19)20-12-14-27(15-13-20)25(30)22(26)16-18-17-31-23-11-7-6-10-21(18)23/h3-11,17,20,22H,2,12-16,26H2,1H3/t22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.50E+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