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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 = 'BDBM50161763'   
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


(Homo sapiens (Human))
BDBM50161763
PNG
(CHEMBL3787016)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1[nH]c4ccccc4c1CC[C@@]23O |r,TLB:14:13:3.9.2:30|
Show InChI InChI=1S/C27H30N2O2/c30-19-8-7-18-13-25-27(31)10-9-21-20-3-1-2-4-23(20)28-24(21)15-26(27,22(18)14-19)11-12-29(25)16-17-5-6-17/h1-4,7-8,14,17,25,28,30-31H,5-6,9-13,15-16H2/t25?,26-,27-/m1/s1
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PC sid
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Similars

Article
PubMed
5.80n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


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


Bioorg Med Chem 24: 2199-205 (2016)


Article DOI: 10.1016/j.bmc.2016.03.040
BindingDB Entry DOI: 10.7270/Q2WW7KKZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50161763
PNG
(CHEMBL3787016)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@@]3(CCN1CC1CC1)Cc1[nH]c4ccccc4c1CC[C@@]23O |r,TLB:14:13:3.9.2:30|
Show InChI InChI=1S/C27H30N2O2/c30-19-8-7-18-13-25-27(31)10-9-21-20-3-1-2-4-23(20)28-24(21)15-26(27,22(18)14-19)11-12-29(25)16-17-5-6-17/h1-4,7-8,14,17,25,28,30-31H,5-6,9-13,15-16H2/t25?,26-,27-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 6.20n/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Bioorg Med Chem 24: 2199-205 (2016)


Article DOI: 10.1016/j.bmc.2016.03.040
BindingDB Entry DOI: 10.7270/Q2WW7KKZ
More data for this
Ligand-Target Pair