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SMILES: O[C@]12Cc3c([nH]c4ccccc34)C3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4OCCCc1ccccc1

InChI Key: InChIKey=LWPLIGWDKHLNEC-IDFDZQHISA-N

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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 = 50366621   
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))
BDBM50366621
PNG
(CHEMBL1743886)
Show SMILES O[C@]12Cc3c([nH]c4ccccc34)C3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4OCCCc1ccccc1 |r|
Show InChI InChI=1S/C35H36N2O3/c38-35-20-26-25-10-4-5-11-27(25)36-31(26)33-34(35)16-17-37(21-23-12-13-23)29(35)19-24-14-15-28(32(40-33)30(24)34)39-18-6-9-22-7-2-1-3-8-22/h1-5,7-8,10-11,14-15,23,29,33,36,38H,6,9,12-13,16-21H2/t29-,33?,34+,35-/m1/s1
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
99n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Ability to displace [3H]DADL from delta opioid receptor


Bioorg Med Chem Lett 9: 3435-8 (2000)


BindingDB Entry DOI: 10.7270/Q2GT5NPZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50366621
PNG
(CHEMBL1743886)
Show SMILES O[C@]12Cc3c([nH]c4ccccc34)C3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4OCCCc1ccccc1 |r|
Show InChI InChI=1S/C35H36N2O3/c38-35-20-26-25-10-4-5-11-27(25)36-31(26)33-34(35)16-17-37(21-23-12-13-23)29(35)19-24-14-15-28(32(40-33)30(24)34)39-18-6-9-22-7-2-1-3-8-22/h1-5,7-8,10-11,14-15,23,29,33,36,38H,6,9,12-13,16-21H2/t29-,33?,34+,35-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

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PubMed
>5.32E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Ability to displace [3H]U-69593 from kappa opioid receptor


Bioorg Med Chem Lett 9: 3435-8 (2000)


BindingDB Entry DOI: 10.7270/Q2GT5NPZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50366621
PNG
(CHEMBL1743886)
Show SMILES O[C@]12Cc3c([nH]c4ccccc34)C3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4OCCCc1ccccc1 |r|
Show InChI InChI=1S/C35H36N2O3/c38-35-20-26-25-10-4-5-11-27(25)36-31(26)33-34(35)16-17-37(21-23-12-13-23)29(35)19-24-14-15-28(32(40-33)30(24)34)39-18-6-9-22-7-2-1-3-8-22/h1-5,7-8,10-11,14-15,23,29,33,36,38H,6,9,12-13,16-21H2/t29-,33?,34+,35-/m1/s1
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>6.25E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Ability to displace [3H]DAMGO from mu opioid receptor


Bioorg Med Chem Lett 9: 3435-8 (2000)


BindingDB Entry DOI: 10.7270/Q2GT5NPZ
More data for this
Ligand-Target Pair