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BDBM50017059 3,4-Dibromo-N-methyl-N-(1-methyl-1-aza-spiro[4.5]dec-6-yl)-benzamide::CHEMBL279065

SMILES: CN([C@H]1CCCC[C@@]11CCCN1C)C(=O)c1ccc(Br)c(Br)c1

InChI Key: InChIKey=XHBTZWGPHRHWQZ-FUHWJXTLSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50017059   
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
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50017059
PNG
(3,4-Dibromo-N-methyl-N-(1-methyl-1-aza-spiro[4.5]d...)
Show SMILES CN([C@H]1CCCC[C@@]11CCCN1C)C(=O)c1ccc(Br)c(Br)c1
Show InChI InChI=1S/C18H24Br2N2O/c1-21-11-5-10-18(21)9-4-3-6-16(18)22(2)17(23)13-7-8-14(19)15(20)12-13/h7-8,12,16H,3-6,9-11H2,1-2H3/t16-,18+/m0/s1
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 105n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Binding inhibition against opioid receptor kappa of guinea pig was determined using [3H]ethylketocyclazocine


J Med Chem 32: 1259-65 (1989)


BindingDB Entry DOI: 10.7270/Q280536X
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50017059
PNG
(3,4-Dibromo-N-methyl-N-(1-methyl-1-aza-spiro[4.5]d...)
Show SMILES CN([C@H]1CCCC[C@@]11CCCN1C)C(=O)c1ccc(Br)c(Br)c1
Show InChI InChI=1S/C18H24Br2N2O/c1-21-11-5-10-18(21)9-4-3-6-16(18)22(2)17(23)13-7-8-14(19)15(20)12-13/h7-8,12,16H,3-6,9-11H2,1-2H3/t16-,18+/m0/s1
PDB

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PC cid
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PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor delta of guinea pig was determined by using [3H]DADLE radioligand


J Med Chem 32: 1259-65 (1989)


BindingDB Entry DOI: 10.7270/Q280536X
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50017059
PNG
(3,4-Dibromo-N-methyl-N-(1-methyl-1-aza-spiro[4.5]d...)
Show SMILES CN([C@H]1CCCC[C@@]11CCCN1C)C(=O)c1ccc(Br)c(Br)c1
Show InChI InChI=1S/C18H24Br2N2O/c1-21-11-5-10-18(21)9-4-3-6-16(18)22(2)17(23)13-7-8-14(19)15(20)12-13/h7-8,12,16H,3-6,9-11H2,1-2H3/t16-,18+/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2n/an/an/an/an/an/a



Ciba-Geigy Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor mu of guinea pig brain using [3H]DAGO radioligand


J Med Chem 32: 1259-65 (1989)


BindingDB Entry DOI: 10.7270/Q280536X
More data for this
Ligand-Target Pair