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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 = 'BDBM50278384'   
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))
BDBM50278384
PNG
((1S,5R,13S,17S)-4-(cyclopropylmethyl)-17-hydroxy-1...)
Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@]45[C@H](CCC[C@@]34O)Oc1c25 |r|
Show InChI InChI=1S/C21H26N2O3/c22-19(24)14-6-5-13-10-15-21(25)7-1-2-16-20(21,17(13)18(14)26-16)8-9-23(15)11-12-3-4-12/h5-6,12,15-16,25H,1-4,7-11H2,(H2,22,24)/t15-,16+,20-,21-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 19: 2289-94 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.078
BindingDB Entry DOI: 10.7270/Q200030V
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50278384
PNG
((1S,5R,13S,17S)-4-(cyclopropylmethyl)-17-hydroxy-1...)
Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@]45[C@H](CCC[C@@]34O)Oc1c25 |r|
Show InChI InChI=1S/C21H26N2O3/c22-19(24)14-6-5-13-10-15-21(25)7-1-2-16-20(21,17(13)18(14)26-16)8-9-23(15)11-12-3-4-12/h5-6,12,15-16,25H,1-4,7-11H2,(H2,22,24)/t15-,16+,20-,21-/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 54n/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Antagonist activity against human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 2289-94 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.078
BindingDB Entry DOI: 10.7270/Q200030V
More data for this
Ligand-Target Pair