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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1/Mu-type opioid receptor' and Ligand = 'BDBM50278383'   
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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50278383
PNG
((1S,9R,10S)-17-(cyclopropylmethyl)-3,10-dihydroxy-...)
Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CCCC[C@@]34O)c2c1O |r,TLB:10:9:7.23.6:21|
Show InChI InChI=1S/C21H28N2O3/c22-19(25)15-6-5-14-11-16-21(26)8-2-1-7-20(21,17(14)18(15)24)9-10-23(16)12-13-3-4-13/h5-6,13,16,24,26H,1-4,7-12H2,(H2,22,25)/t16-,20+,21-/m1/s1
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0.160n/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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50278383
PNG
((1S,9R,10S)-17-(cyclopropylmethyl)-3,10-dihydroxy-...)
Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CCCC[C@@]34O)c2c1O |r,TLB:10:9:7.23.6:21|
Show InChI InChI=1S/C21H28N2O3/c22-19(25)15-6-5-14-11-16-21(26)8-2-1-7-20(21,17(14)18(15)24)9-10-23(16)12-13-3-4-13/h5-6,13,16,24,26H,1-4,7-12H2,(H2,22,25)/t16-,20+,21-/m1/s1
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Article
PubMed
n/an/a 3.80n/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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50278383
PNG
((1S,9R,10S)-17-(cyclopropylmethyl)-3,10-dihydroxy-...)
Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CCCC[C@@]34O)c2c1O |r,TLB:10:9:7.23.6:21|
Show InChI InChI=1S/C21H28N2O3/c22-19(25)15-6-5-14-11-16-21(26)8-2-1-7-20(21,17(14)18(15)24)9-10-23(16)12-13-3-4-13/h5-6,13,16,24,26H,1-4,7-12H2,(H2,22,25)/t16-,20+,21-/m1/s1
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/an/an/a 10n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [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