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SMILES: CO[C@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1NC\C=C\c1ccccc1

InChI Key: InChIKey=OHNURQITZQKALN-KXDZFCSZSA-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 = 50154211   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50154211
PNG
(6-Methoxy-8,8-dimethyl-7-((E)-3-phenyl-allylamino)...)
Show SMILES CO[C@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1NC\C=C\c1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-22(2)19-15-18(24)12-11-17(19)14-20(25-3)21(22)23-13-7-10-16-8-5-4-6-9-16/h4-12,15,20-21,23-24H,13-14H2,1-3H3/b10-7+/t20-,21+/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
1.60n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to human Mu opioid receptor expressed in CHO cells


J Med Chem 47: 5069-75 (2004)


Article DOI: 10.1021/jm040807s
BindingDB Entry DOI: 10.7270/Q2S46SQB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50154211
PNG
(6-Methoxy-8,8-dimethyl-7-((E)-3-phenyl-allylamino)...)
Show SMILES CO[C@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1NC\C=C\c1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-22(2)19-15-18(24)12-11-17(19)14-20(25-3)21(22)23-13-7-10-16-8-5-4-6-9-16/h4-12,15,20-21,23-24H,13-14H2,1-3H3/b10-7+/t20-,21+/m0/s1
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Article
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7.5n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to human kappa opioid receptor expressed in CHO cells


J Med Chem 47: 5069-75 (2004)


Article DOI: 10.1021/jm040807s
BindingDB Entry DOI: 10.7270/Q2S46SQB
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50154211
PNG
(6-Methoxy-8,8-dimethyl-7-((E)-3-phenyl-allylamino)...)
Show SMILES CO[C@H]1Cc2ccc(O)cc2C(C)(C)[C@@H]1NC\C=C\c1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-22(2)19-15-18(24)12-11-17(19)14-20(25-3)21(22)23-13-7-10-16-8-5-4-6-9-16/h4-12,15,20-21,23-24H,13-14H2,1-3H3/b10-7+/t20-,21+/m0/s1
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22n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of [3H]C1-DPDPE binding to human delta opioid receptor expressed in CHO cells


J Med Chem 47: 5069-75 (2004)


Article DOI: 10.1021/jm040807s
BindingDB Entry DOI: 10.7270/Q2S46SQB
More data for this
Ligand-Target Pair