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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 = 'BDBM50083668'   
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))
BDBM50083668
PNG
(7,19-dimethyl-11-oxa-6,8,19-triazahexacyclo[10.9.1...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(C)nc41)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/C20H21N3O3/c1-10-21-9-12-8-20(25)14-7-11-3-4-13(24)17-15(11)19(20,5-6-23(14)2)18(26-17)16(12)22-10/h3-4,9,14,18,24-25H,5-8H2,1-2H3
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PC cid
PC sid
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Similars

PubMed
5.30n/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))
BDBM50083668
PNG
(7,19-dimethyl-11-oxa-6,8,19-triazahexacyclo[10.9.1...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(C)nc41)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/C20H21N3O3/c1-10-21-9-12-8-20(25)14-7-11-3-4-13(24)17-15(11)19(20,5-6-23(14)2)18(26-17)16(12)22-10/h3-4,9,14,18,24-25H,5-8H2,1-2H3
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 72n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


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


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


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