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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50166212'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50166212
PNG
(17-ethoxy-10-hydroxy-13-methyl-4-phenethyl-(13R,17...)
Show SMILES CCO[C@]12CCC(=O)[C@]3(C)Oc4c5c(CC1N(CCc1ccccc1)CC[C@@]235)ccc4O |THB:11:12:3:16.26.25,28:13:3:16.26.25|
Show InChI InChI=1S/C27H31NO4/c1-3-31-27-13-11-22(30)25(2)26(27)14-16-28(15-12-18-7-5-4-6-8-18)21(27)17-19-9-10-20(29)24(32-25)23(19)26/h4-10,21,29H,3,11-17H2,1-2H3/t21?,25-,26-,27+/m0/s1
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UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.160n/an/an/an/an/an/an/an/a



University La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to opioid receptor mu from rat brain membranes


J Med Chem 48: 3372-8 (2005)


Article DOI: 10.1021/jm040894o
BindingDB Entry DOI: 10.7270/Q2X92C3R
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50166212
PNG
(17-ethoxy-10-hydroxy-13-methyl-4-phenethyl-(13R,17...)
Show SMILES CCO[C@]12CCC(=O)[C@]3(C)Oc4c5c(CC1N(CCc1ccccc1)CC[C@@]235)ccc4O |THB:11:12:3:16.26.25,28:13:3:16.26.25|
Show InChI InChI=1S/C27H31NO4/c1-3-31-27-13-11-22(30)25(2)26(27)14-16-28(15-12-18-7-5-4-6-8-18)21(27)17-19-9-10-20(29)24(32-25)23(19)26/h4-10,21,29H,3,11-17H2,1-2H3/t21?,25-,26-,27+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



University La Sapienza

Curated by ChEMBL


Assay Description
In vitro agonistic activity against opioid receptor mu of guinea pig ileum


J Med Chem 48: 3372-8 (2005)


Article DOI: 10.1021/jm040894o
BindingDB Entry DOI: 10.7270/Q2X92C3R
More data for this
Ligand-Target Pair