BindingDB logo
myBDB logout

null

SMILES: CCCN(CCC)C1CCc2ccc(O)cc2C1(C)C

InChI Key: InChIKey=JRSJNRHWKUKHRM-UHFFFAOYSA-N

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 = 50154212   
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))
BDBM50154212
PNG
(7-(dipropylamino)-8,8-dimethyl-5,6,7,8-tetrahydron...)
Show SMILES CCCN(CCC)C1CCc2ccc(O)cc2C1(C)C
Show InChI InChI=1S/C18H29NO/c1-5-11-19(12-6-2)17-10-8-14-7-9-15(20)13-16(14)18(17,3)4/h7,9,13,17,20H,5-6,8,10-12H2,1-4H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
482n/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))
BDBM50154212
PNG
(7-(dipropylamino)-8,8-dimethyl-5,6,7,8-tetrahydron...)
Show SMILES CCCN(CCC)C1CCc2ccc(O)cc2C1(C)C
Show InChI InChI=1S/C18H29NO/c1-5-11-19(12-6-2)17-10-8-14-7-9-15(20)13-16(14)18(17,3)4/h7,9,13,17,20H,5-6,8,10-12H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
552n/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))
BDBM50154212
PNG
(7-(dipropylamino)-8,8-dimethyl-5,6,7,8-tetrahydron...)
Show SMILES CCCN(CCC)C1CCc2ccc(O)cc2C1(C)C
Show InChI InChI=1S/C18H29NO/c1-5-11-19(12-6-2)17-10-8-14-7-9-15(20)13-16(14)18(17,3)4/h7,9,13,17,20H,5-6,8,10-12H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.72E+3n/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