new BindingDB logo
myBDB logout

BDBM50154207 7-[Bis-((E)-3-phenyl-allyl)-amino]-8,8-dimethyl-5,6,7,8-tetrahydro-naphthalen-2-ol::CHEMBL435305

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

InChI Key: InChIKey=YWXSTYXWHKOZCD-KAVGSWPWSA-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 = 50154207   
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))
BDBM50154207
PNG
(7-[Bis-((E)-3-phenyl-allyl)-amino]-8,8-dimethyl-5,...)
Show SMILES CC1(C)C(CCc2ccc(O)cc12)N(C\C=C\c1ccccc1)C\C=C\c1ccccc1
Show InChI InChI=1S/C30H33NO/c1-30(2)28-23-27(32)19-17-26(28)18-20-29(30)31(21-9-15-24-11-5-3-6-12-24)22-10-16-25-13-7-4-8-14-25/h3-17,19,23,29,32H,18,20-22H2,1-2H3/b15-9+,16-10+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
268n/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))
BDBM50154207
PNG
(7-[Bis-((E)-3-phenyl-allyl)-amino]-8,8-dimethyl-5,...)
Show SMILES CC1(C)C(CCc2ccc(O)cc12)N(C\C=C\c1ccccc1)C\C=C\c1ccccc1
Show InChI InChI=1S/C30H33NO/c1-30(2)28-23-27(32)19-17-26(28)18-20-29(30)31(21-9-15-24-11-5-3-6-12-24)22-10-16-25-13-7-4-8-14-25/h3-17,19,23,29,32H,18,20-22H2,1-2H3/b15-9+,16-10+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.25E+3n/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))
BDBM50154207
PNG
(7-[Bis-((E)-3-phenyl-allyl)-amino]-8,8-dimethyl-5,...)
Show SMILES CC1(C)C(CCc2ccc(O)cc12)N(C\C=C\c1ccccc1)C\C=C\c1ccccc1
Show InChI InChI=1S/C30H33NO/c1-30(2)28-23-27(32)19-17-26(28)18-20-29(30)31(21-9-15-24-11-5-3-6-12-24)22-10-16-25-13-7-4-8-14-25/h3-17,19,23,29,32H,18,20-22H2,1-2H3/b15-9+,16-10+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/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