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BDBM50199917 (3S,7R,8R,9alphaR)-2-benzyl-7,8-dimethyl-3,8-diphenyl-octahydro-1H-pyrido[1,2-R]pyrazine::CHEMBL425112

SMILES: C[C@H]1CN2C[C@@H](N(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1ccccc1)c1ccccc1

InChI Key: InChIKey=SNAPNZGMWUKCDZ-QLPLNKDJSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50199917   
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))
BDBM50199917
PNG
((3S,7R,8R,9alphaR)-2-benzyl-7,8-dimethyl-3,8-diphe...)
Show SMILES C[C@H]1CN2C[C@@H](N(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H34N2/c1-23-19-30-22-28(25-14-8-4-9-15-25)31(20-24-12-6-3-7-13-24)21-27(30)18-29(23,2)26-16-10-5-11-17-26/h3-17,23,27-28H,18-22H2,1-2H3/t23-,27+,28+,29+/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
1.60E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells


J Med Chem 49: 7290-306 (2006)


Article DOI: 10.1021/jm0604878
BindingDB Entry DOI: 10.7270/Q2CF9QW8
More data for this
Ligand-Target Pair