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BDBM50386381 Nucynta::TAPENTADOL HYDROCHLORIDE::Tapentadol

SMILES: CC[C@H]([C@@H](C)CN(C)C)c1cccc(O)c1

InChI Key: InChIKey=KWTWDQCKEHXFFR-SMDDNHRTSA-N

Data: 1 KI  1 EC50

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 = 50386381   
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))
BDBM50386381
PNG
(Nucynta | TAPENTADOL HYDROCHLORIDE | Tapentadol)
Show SMILES CC[C@H]([C@@H](C)CN(C)C)c1cccc(O)c1
Show InChI InChI=1S/C14H23NO/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12/h6-9,11,14,16H,5,10H2,1-4H3/t11-,14+/m0/s1
PDB

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PC cid
PC sid
UniChem

Similars

DrugBank
Article
PubMed
160n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK-293 cells by scintillation counting


ACS Med Chem Lett 3: 227-231 (2012)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50386381
PNG
(Nucynta | TAPENTADOL HYDROCHLORIDE | Tapentadol)
Show SMILES CC[C@H]([C@@H](C)CN(C)C)c1cccc(O)c1
Show InChI InChI=1S/C14H23NO/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12/h6-9,11,14,16H,5,10H2,1-4H3/t11-,14+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Similars

DrugBank
Article
PubMed
n/an/an/an/a 670n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 1 hr by HTRF ...


ACS Med Chem Lett 3: 227-231 (2012)

More data for this
Ligand-Target Pair