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BDBM50142691 CHEMBL3758348

SMILES: [H][C@@]12Cc3ccc(O)c4O[C@@]5(CO)C(=O)CC[C@]1(O)[C@@]5(CCN2C)c34

InChI Key: InChIKey=TUCMKNSLNAOLIZ-APANUXKLNA-N

Data: 2 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 3 hits for monomerid = 50142691   
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))
BDBM50142691
PNG
(CHEMBL3758348)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(CO)C(=O)CC[C@]1(O)[C@@]5(CCN2C)c34 |r,THB:23:22:3.24.2:17|
Show InChI InChI=1/C18H21NO5/c1-19-7-6-16-14-10-2-3-11(21)15(14)24-18(16,9-20)13(22)4-5-17(16,23)12(19)8-10/h2-3,12,20-21,23H,4-9H2,1H3/t12-,16-,17-,18+/s2
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PC cid
PC sid
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PubMed
3.20n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane


Eur J Med Chem 108: 211-28 (2016)


BindingDB Entry DOI: 10.7270/Q2R2137W
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50142691
PNG
(CHEMBL3758348)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(CO)C(=O)CC[C@]1(O)[C@@]5(CCN2C)c34 |r,THB:23:22:3.24.2:17|
Show InChI InChI=1/C18H21NO5/c1-19-7-6-16-14-10-2-3-11(21)15(14)24-18(16,9-20)13(22)4-5-17(16,23)12(19)8-10/h2-3,12,20-21,23H,4-9H2,1H3/t12-,16-,17-,18+/s2
PDB

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antibodypedia
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PC sid
UniChem

Patents

PubMed
208n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cells


Eur J Med Chem 108: 211-28 (2016)


BindingDB Entry DOI: 10.7270/Q2R2137W
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50142691
PNG
(CHEMBL3758348)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(CO)C(=O)CC[C@]1(O)[C@@]5(CCN2C)c34 |r,THB:23:22:3.24.2:17|
Show InChI InChI=1/C18H21NO5/c1-19-7-6-16-14-10-2-3-11(21)15(14)24-18(16,9-20)13(22)4-5-17(16,23)12(19)8-10/h2-3,12,20-21,23H,4-9H2,1H3/t12-,16-,17-,18+/s2
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/an/an/a 35n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gammaS binding assay


Eur J Med Chem 108: 211-28 (2016)


BindingDB Entry DOI: 10.7270/Q2R2137W
More data for this
Ligand-Target Pair