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BDBM50326658 CHEMBL1253928

SMILES: CCO[C@@]12CCC(=O)C[C@@]11CCN(C)[C@@H]2Cc2cccc(O)c12

InChI Key: InChIKey=CHLAGOZHUBOHOU-BHIYHBOVSA-N

Data: 3 KI  1 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 4 hits for monomerid = 50326658   
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50326658
PNG
(CHEMBL1253928)
Show SMILES CCO[C@@]12CCC(=O)C[C@@]11CCN(C)[C@@H]2Cc2cccc(O)c12 |r|
Show InChI InChI=1S/C19H25NO3/c1-3-23-19-8-7-14(21)12-18(19)9-10-20(2)16(19)11-13-5-4-6-15(22)17(13)18/h4-6,16,22H,3,7-12H2,1-2H3/t16-,18-,19-/m1/s1
PDB

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UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
20.2n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326658
PNG
(CHEMBL1253928)
Show SMILES CCO[C@@]12CCC(=O)C[C@@]11CCN(C)[C@@H]2Cc2cccc(O)c12 |r|
Show InChI InChI=1S/C19H25NO3/c1-3-23-19-8-7-14(21)12-18(19)9-10-20(2)16(19)11-13-5-4-6-15(22)17(13)18/h4-6,16,22H,3,7-12H2,1-2H3/t16-,18-,19-/m1/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
33.1n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50326658
PNG
(CHEMBL1253928)
Show SMILES CCO[C@@]12CCC(=O)C[C@@]11CCN(C)[C@@H]2Cc2cccc(O)c12 |r|
Show InChI InChI=1S/C19H25NO3/c1-3-23-19-8-7-14(21)12-18(19)9-10-20(2)16(19)11-13-5-4-6-15(22)17(13)18/h4-6,16,22H,3,7-12H2,1-2H3/t16-,18-,19-/m1/s1
PDB

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316n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin2 from delta opioid receptor in rat brain membrane


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50326658
PNG
(CHEMBL1253928)
Show SMILES CCO[C@@]12CCC(=O)C[C@@]11CCN(C)[C@@H]2Cc2cccc(O)c12 |r|
Show InChI InChI=1S/C19H25NO3/c1-3-23-19-8-7-14(21)12-18(19)9-10-20(2)16(19)11-13-5-4-6-15(22)17(13)18/h4-6,16,22H,3,7-12H2,1-2H3/t16-,18-,19-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.71E+4n/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair