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BDBM50027087 2-Bromo-N-[1-(2-diethylamino-ethyl)-2-(4-ethoxy-benzyl)-1H-benzoimidazol-5-yl]-acetamide::CHEMBL290440

SMILES: CCOc1ccc(Cc2nc3cc(NC(=O)CBr)ccc3n2CCN(CC)CC)cc1

InChI Key: InChIKey=BHQGYLBZJOENGC-UHFFFAOYSA-N

Data: 3 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50027087   
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


(Rattus norvegicus (rat))
BDBM50027087
PNG
(2-Bromo-N-[1-(2-diethylamino-ethyl)-2-(4-ethoxy-be...)
Show SMILES CCOc1ccc(Cc2nc3cc(NC(=O)CBr)ccc3n2CCN(CC)CC)cc1
Show InChI InChI=1S/C24H31BrN4O2/c1-4-28(5-2)13-14-29-22-12-9-19(26-24(30)17-25)16-21(22)27-23(29)15-18-7-10-20(11-8-18)31-6-3/h7-12,16H,4-6,13-15,17H2,1-3H3,(H,26,30)
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PC cid
PC sid
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Similars

PubMed
n/an/an/an/a 1.50E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity was evaluated against [3H]dalamid binding to rat brain membranes (Opioid receptor delta 1)


J Med Chem 27: 1570-4 (1985)


BindingDB Entry DOI: 10.7270/Q2S18328
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50027087
PNG
(2-Bromo-N-[1-(2-diethylamino-ethyl)-2-(4-ethoxy-be...)
Show SMILES CCOc1ccc(Cc2nc3cc(NC(=O)CBr)ccc3n2CCN(CC)CC)cc1
Show InChI InChI=1S/C24H31BrN4O2/c1-4-28(5-2)13-14-29-22-12-9-19(26-24(30)17-25)16-21(22)27-23(29)15-18-7-10-20(11-8-18)31-6-3/h7-12,16H,4-6,13-15,17H2,1-3H3,(H,26,30)
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PC cid
PC sid
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PubMed
n/an/an/an/a 40n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity was evaluated against [3H]dalamid binding to rat brain membranes (mu opiate receptors).


J Med Chem 27: 1570-4 (1985)


BindingDB Entry DOI: 10.7270/Q2S18328
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50027087
PNG
(2-Bromo-N-[1-(2-diethylamino-ethyl)-2-(4-ethoxy-be...)
Show SMILES CCOc1ccc(Cc2nc3cc(NC(=O)CBr)ccc3n2CCN(CC)CC)cc1
Show InChI InChI=1S/C24H31BrN4O2/c1-4-28(5-2)13-14-29-22-12-9-19(26-24(30)17-25)16-21(22)27-23(29)15-18-7-10-20(11-8-18)31-6-3/h7-12,16H,4-6,13-15,17H2,1-3H3,(H,26,30)
PDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 200n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity was evaluated against [3H]dalamid binding to neuroblastoma X glioma hybrid cell NG108-15 (Opioid receptor delta 1)membranes


J Med Chem 27: 1570-4 (1985)


BindingDB Entry DOI: 10.7270/Q2S18328
More data for this
Ligand-Target Pair