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BDBM50154201 7-[(cyclopropylmethyl)amino]-8,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol::CHEMBL188920

SMILES: CC1(C)C(CCc2ccc(O)cc12)NCC1CC1

InChI Key: InChIKey=KKWFCINPWIRORD-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 = 50154201   
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))
BDBM50154201
PNG
(7-[(cyclopropylmethyl)amino]-8,8-dimethyl-5,6,7,8-...)
Show SMILES CC1(C)C(CCc2ccc(O)cc12)NCC1CC1
Show InChI InChI=1S/C16H23NO/c1-16(2)14-9-13(18)7-5-12(14)6-8-15(16)17-10-11-3-4-11/h5,7,9,11,15,17-18H,3-4,6,8,10H2,1-2H3
PDB

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PC cid
PC sid
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Similars

Article
PubMed
232n/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))
BDBM50154201
PNG
(7-[(cyclopropylmethyl)amino]-8,8-dimethyl-5,6,7,8-...)
Show SMILES CC1(C)C(CCc2ccc(O)cc12)NCC1CC1
Show InChI InChI=1S/C16H23NO/c1-16(2)14-9-13(18)7-5-12(14)6-8-15(16)17-10-11-3-4-11/h5,7,9,11,15,17-18H,3-4,6,8,10H2,1-2H3
PDB

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antibodypedia
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PC sid
UniChem

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Article
PubMed
312n/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))
BDBM50154201
PNG
(7-[(cyclopropylmethyl)amino]-8,8-dimethyl-5,6,7,8-...)
Show SMILES CC1(C)C(CCc2ccc(O)cc12)NCC1CC1
Show InChI InChI=1S/C16H23NO/c1-16(2)14-9-13(18)7-5-12(14)6-8-15(16)17-10-11-3-4-11/h5,7,9,11,15,17-18H,3-4,6,8,10H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
3.83E+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