BindingDB logo
myBDB logout

BDBM50422797 CHEMBL380749

SMILES: COc1cccc(c1)[C@H](N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C)c1ccc2CCN(CCC(O)=O)Cc2c1

InChI Key: InChIKey=XLNBMFNKGUOEFO-SQJKUQPUSA-N

Data: 3 IC50

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 3 hits for monomerid = 50422797   
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


(GUINEA PIG)
BDBM50422797
PNG
(CHEMBL380749)
Show SMILES COc1cccc(c1)[C@H](N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C)c1ccc2CCN(CCC(O)=O)Cc2c1
Show InChI InChI=1S/C33H41N3O3/c1-24-21-36(25(2)20-35(24)22-26-8-5-4-6-9-26)33(28-10-7-11-31(19-28)39-3)29-13-12-27-14-16-34(17-15-32(37)38)23-30(27)18-29/h4-13,18-19,24-25,33H,14-17,20-23H2,1-3H3,(H,37,38)/t24-,25+,33+/m1/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at mu opioid receptor in myentric plexus muscle from guinea pig


Bioorg Med Chem Lett 16: 905-10 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.102
BindingDB Entry DOI: 10.7270/Q2930VG2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50422797
PNG
(CHEMBL380749)
Show SMILES COc1cccc(c1)[C@H](N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C)c1ccc2CCN(CCC(O)=O)Cc2c1
Show InChI InChI=1S/C33H41N3O3/c1-24-21-36(25(2)20-35(24)22-26-8-5-4-6-9-26)33(28-10-7-11-31(19-28)39-3)29-13-12-27-14-16-34(17-15-32(37)38)23-30(27)18-29/h4-13,18-19,24-25,33H,14-17,20-23H2,1-3H3,(H,37,38)/t24-,25+,33+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12.6n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens


Bioorg Med Chem Lett 16: 905-10 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.102
BindingDB Entry DOI: 10.7270/Q2930VG2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50422797
PNG
(CHEMBL380749)
Show SMILES COc1cccc(c1)[C@H](N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C)c1ccc2CCN(CCC(O)=O)Cc2c1
Show InChI InChI=1S/C33H41N3O3/c1-24-21-36(25(2)20-35(24)22-26-8-5-4-6-9-26)33(28-10-7-11-31(19-28)39-3)29-13-12-27-14-16-34(17-15-32(37)38)23-30(27)18-29/h4-13,18-19,24-25,33H,14-17,20-23H2,1-3H3,(H,37,38)/t24-,25+,33+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at kappa opioid receptor in myentric plexus muscle from guinea pig


Bioorg Med Chem Lett 16: 905-10 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.102
BindingDB Entry DOI: 10.7270/Q2930VG2
More data for this
Ligand-Target Pair