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BDBM50174108 CHEMBL3809808

SMILES: COc1cccc(c1)[C@]1(O)[C@@H](CN(C)C)CCc2cc(ccc12)-c1ccccc1

InChI Key: InChIKey=AEZZBALZRVGGDH-BVAGGSTKSA-N

Data: 2 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 2 hits for monomerid = 50174108   
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))
BDBM50174108
PNG
(CHEMBL3809808)
Show SMILES COc1cccc(c1)[C@]1(O)[C@@H](CN(C)C)CCc2cc(ccc12)-c1ccccc1
Show InChI InChI=1S/C26H29NO2/c1-27(2)18-23-14-12-21-16-20(19-8-5-4-6-9-19)13-15-25(21)26(23,28)22-10-7-11-24(17-22)29-3/h4-11,13,15-17,23,28H,12,14,18H2,1-3H3/t23-,26+/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00423
BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50174108
PNG
(CHEMBL3809808)
Show SMILES COc1cccc(c1)[C@]1(O)[C@@H](CN(C)C)CCc2cc(ccc12)-c1ccccc1
Show InChI InChI=1S/C26H29NO2/c1-27(2)18-23-14-12-21-16-20(19-8-5-4-6-9-19)13-15-25(21)26(23,28)22-10-7-11-24(17-22)29-3/h4-11,13,15-17,23,28H,12,14,18H2,1-3H3/t23-,26+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00423
BindingDB Entry DOI: 10.7270/Q2R78H4W
More data for this
Ligand-Target Pair