BindingDB logo
myBDB logout

null

SMILES: [H][C@]1(CCN(CCc2ccccc2)C[C@@H]1C)N(C(=O)C=[N+]=[N-])c1ccccc1

InChI Key: InChIKey=WCKHIXJEUUOWGC-GHTZIAJQSA-N

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 = 50224315   
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
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50224315
PNG
(CHEMBL2304164)
Show SMILES [H][C@]1(CCN(CCc2ccccc2)C[C@@H]1C)N(C(=O)C=[N+]=[N-])c1ccccc1
Show InChI InChI=1S/C22H26N4O/c1-18-17-25(14-12-19-8-4-2-5-9-19)15-13-21(18)26(22(27)16-24-23)20-10-6-3-7-11-20/h2-11,16,18,21H,12-15,17H2,1H3/t18-,21+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]nalotrexone from rat-brain Opioid receptors


J Med Chem 25: 913-9 (1982)


BindingDB Entry DOI: 10.7270/Q2CF9S9G
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50224315
PNG
(CHEMBL2304164)
Show SMILES [H][C@]1(CCN(CCc2ccccc2)C[C@@H]1C)N(C(=O)C=[N+]=[N-])c1ccccc1
Show InChI InChI=1S/C22H26N4O/c1-18-17-25(14-12-19-8-4-2-5-9-19)15-13-21(18)26(22(27)16-24-23)20-10-6-3-7-11-20/h2-11,16,18,21H,12-15,17H2,1H3/t18-,21+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement [3H]naloxone from rat-brain Opioid receptors


J Med Chem 25: 913-9 (1982)


BindingDB Entry DOI: 10.7270/Q2CF9S9G
More data for this
Ligand-Target Pair