BindingDB logo
myBDB logout

null

SMILES: OC(=O)\C=C/C(O)=O.COc1ccccc1N(CC=C)C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1

InChI Key: InChIKey=NNPNXNIKIMECKS-BTJKTKAUSA-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 = 50224336   
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)
BDBM50224336
PNG
(CHEMBL1744168)
Show SMILES OC(=O)\C=C/C(O)=O.COc1ccccc1N(CC=C)C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1
Show InChI InChI=1S/C26H33ClN2O3.C4H4O4/c1-4-16-29(23-11-7-8-12-24(23)32-3)25(30)20(2)26(31)14-18-28(19-15-26)17-13-21-9-5-6-10-22(21)27;5-3(6)1-2-4(7)8/h4-12,20,31H,1,13-19H2,2-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 0.410n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Naloxone binding to rat brain membrane without NaCl


J Med Chem 26: 42-50 (1983)


BindingDB Entry DOI: 10.7270/Q23X88VD
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)
BDBM50224336
PNG
(CHEMBL1744168)
Show SMILES OC(=O)\C=C/C(O)=O.COc1ccccc1N(CC=C)C(=O)C(C)C1(O)CCN(CCc2ccccc2Cl)CC1
Show InChI InChI=1S/C26H33ClN2O3.C4H4O4/c1-4-16-29(23-11-7-8-12-24(23)32-3)25(30)20(2)26(31)14-18-28(19-15-26)17-13-21-9-5-6-10-22(21)27;5-3(6)1-2-4(7)8/h4-12,20,31H,1,13-19H2,2-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 2.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]naloxone binding to rat brain membrane with 100 mM NaCl.


J Med Chem 26: 42-50 (1983)


BindingDB Entry DOI: 10.7270/Q23X88VD
More data for this
Ligand-Target Pair