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BDBM50493826 CHEMBL2443269

SMILES: C(C[C@]1(CCOC2(CCCC2)C1)c1ccccn1)NCc1ccccc1

InChI Key: InChIKey=XESNQMLFTITTNJ-JOCHJYFZSA-N

Data: 2 EC50

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 = 50493826   
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


(Homo sapiens (Human))
BDBM50493826
PNG
(CHEMBL2443269)
Show SMILES C(C[C@]1(CCOC2(CCCC2)C1)c1ccccn1)NCc1ccccc1
Show InChI InChI=1S/C23H30N2O/c1-2-8-20(9-3-1)18-24-16-13-22(21-10-4-7-15-25-21)14-17-26-23(19-22)11-5-6-12-23/h1-4,7-10,15,24H,5-6,11-14,16-19H2/t22-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 13n/an/an/an/a



Trevena, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated cAMP accumulation by fluorescen...


J Med Chem 56: 8019-31 (2013)


Article DOI: 10.1021/jm4010829
BindingDB Entry DOI: 10.7270/Q2FT8Q0N
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50493826
PNG
(CHEMBL2443269)
Show SMILES C(C[C@]1(CCOC2(CCCC2)C1)c1ccccn1)NCc1ccccc1
Show InChI InChI=1S/C23H30N2O/c1-2-8-20(9-3-1)18-24-16-13-22(21-10-4-7-15-25-21)14-17-26-23(19-22)11-5-6-12-23/h1-4,7-10,15,24H,5-6,11-14,16-19H2/t22-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 158n/an/an/an/a



Trevena, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in HEK293 cells assessed as beta-arrestin recruitment by chemiluminescence assay


J Med Chem 56: 8019-31 (2013)


Article DOI: 10.1021/jm4010829
BindingDB Entry DOI: 10.7270/Q2FT8Q0N
More data for this
Ligand-Target Pair