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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 = 'BDBM50083670'   
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))
BDBM50083670
PNG
(19-methyl-7-phenyl-11-oxa-6,8,19-triazahexacyclo[1...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(nc41)-c1ccccc1)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C25H23N3O3/c1-28-10-9-24-19-15-7-8-17(29)21(19)31-22(24)20-16(12-25(24,30)18(28)11-15)13-26-23(27-20)14-5-3-2-4-6-14/h2-8,13,18,22,29-30H,9-12H2,1H3
PDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
7.30n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity towards human opioid Mu receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-DAMGO as radioligand


Bioorg Med Chem Lett 9: 3375-80 (2000)


BindingDB Entry DOI: 10.7270/Q2XP7440
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50083670
PNG
(19-methyl-7-phenyl-11-oxa-6,8,19-triazahexacyclo[1...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(nc41)-c1ccccc1)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C25H23N3O3/c1-28-10-9-24-19-15-7-8-17(29)21(19)31-22(24)20-16(12-25(24,30)18(28)11-15)13-26-23(27-20)14-5-3-2-4-6-14/h2-8,13,18,22,29-30H,9-12H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/an/an/a 58n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonistic activity against human opioid Mu receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-DAMGO as radioligand


Bioorg Med Chem Lett 9: 3375-80 (2000)


BindingDB Entry DOI: 10.7270/Q2XP7440
More data for this
Ligand-Target Pair