new BindingDB logo
myBDB logout

BDBM50154213 7-(diallylamino)-8,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol::CHEMBL364133

SMILES: CC1(C)C(CCc2ccc(O)cc12)N(CC=C)CC=C

InChI Key: InChIKey=SNFJJCDHDZXMFR-UHFFFAOYSA-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 = 50154213   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50154213
PNG
(7-(diallylamino)-8,8-dimethyl-5,6,7,8-tetrahydrona...)
Show SMILES CC1(C)C(CCc2ccc(O)cc12)N(CC=C)CC=C
Show InChI InChI=1S/C18H25NO/c1-5-11-19(12-6-2)17-10-8-14-7-9-15(20)13-16(14)18(17,3)4/h5-7,9,13,17,20H,1-2,8,10-12H2,3-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
56n/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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50154213
PNG
(7-(diallylamino)-8,8-dimethyl-5,6,7,8-tetrahydrona...)
Show SMILES CC1(C)C(CCc2ccc(O)cc12)N(CC=C)CC=C
Show InChI InChI=1S/C18H25NO/c1-5-11-19(12-6-2)17-10-8-14-7-9-15(20)13-16(14)18(17,3)4/h5-7,9,13,17,20H,1-2,8,10-12H2,3-4H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
105n/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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50154213
PNG
(7-(diallylamino)-8,8-dimethyl-5,6,7,8-tetrahydrona...)
Show SMILES CC1(C)C(CCc2ccc(O)cc12)N(CC=C)CC=C
Show InChI InChI=1S/C18H25NO/c1-5-11-19(12-6-2)17-10-8-14-7-9-15(20)13-16(14)18(17,3)4/h5-7,9,13,17,20H,1-2,8,10-12H2,3-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
672n/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