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BDBM50154214 8,8-dimethyl-7-{[(2E)-3-phenylprop-2-enyl]amino}-5,6,7,8-tetrahydronaphthalen-2-ol::CHEMBL189243

SMILES: CC1(C)C(CCc2ccc(O)cc12)NC\C=C\c1ccccc1

InChI Key: InChIKey=NZABAQRVWLTDQC-RMKNXTFCSA-N

Data: 3 KI

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 3 hits for monomerid = 50154214   
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))
BDBM50154214
PNG
(8,8-dimethyl-7-{[(2E)-3-phenylprop-2-enyl]amino}-5...)
Show SMILES CC1(C)C(CCc2ccc(O)cc12)NC\C=C\c1ccccc1
Show InChI InChI=1S/C21H25NO/c1-21(2)19-15-18(23)12-10-17(19)11-13-20(21)22-14-6-9-16-7-4-3-5-8-16/h3-10,12,15,20,22-23H,11,13-14H2,1-2H3/b9-6+
PDB

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PC cid
PC sid
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Article
PubMed
11n/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))
BDBM50154214
PNG
(8,8-dimethyl-7-{[(2E)-3-phenylprop-2-enyl]amino}-5...)
Show SMILES CC1(C)C(CCc2ccc(O)cc12)NC\C=C\c1ccccc1
Show InChI InChI=1S/C21H25NO/c1-21(2)19-15-18(23)12-10-17(19)11-13-20(21)22-14-6-9-16-7-4-3-5-8-16/h3-10,12,15,20,22-23H,11,13-14H2,1-2H3/b9-6+
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82n/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))
BDBM50154214
PNG
(8,8-dimethyl-7-{[(2E)-3-phenylprop-2-enyl]amino}-5...)
Show SMILES CC1(C)C(CCc2ccc(O)cc12)NC\C=C\c1ccccc1
Show InChI InChI=1S/C21H25NO/c1-21(2)19-15-18(23)12-10-17(19)11-13-20(21)22-14-6-9-16-7-4-3-5-8-16/h3-10,12,15,20,22-23H,11,13-14H2,1-2H3/b9-6+
PDB

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antibodypedia
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PC sid
UniChem
Article
PubMed
472n/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