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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 = 'BDBM50204456'   
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))
BDBM50204456
PNG
(CHEMBL241824 | MCL-434)
Show SMILES CNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3CC3CC3)c2c1 |TLB:20:19:8.24.9:11,25:24:11:19.17.18|
Show InChI InChI=1S/C22H30N2O2/c1-23-21(25)26-17-8-7-16-12-20-18-4-2-3-9-22(18,19(16)13-17)10-11-24(20)14-15-5-6-15/h7-8,13,15,18,20H,2-6,9-12,14H2,1H3,(H,23,25)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
5.30n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 1508-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.013
BindingDB Entry DOI: 10.7270/Q2WS8V2W
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50204456
PNG
(CHEMBL241824 | MCL-434)
Show SMILES CNC(=O)Oc1ccc2CC3C4CCCCC4(CCN3CC3CC3)c2c1 |TLB:20:19:8.24.9:11,25:24:11:19.17.18|
Show InChI InChI=1S/C22H30N2O2/c1-23-21(25)26-17-8-7-16-12-20-18-4-2-3-9-22(18,19(16)13-17)10-11-24(20)14-15-5-6-15/h7-8,13,15,18,20H,2-6,9-12,14H2,1H3,(H,23,25)
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/an/an/a 14n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as maximal stimulation of [35S]GTP-gamma-S binding


Bioorg Med Chem Lett 17: 1508-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.013
BindingDB Entry DOI: 10.7270/Q2WS8V2W
More data for this
Ligand-Target Pair