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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 = 'BDBM50221985'   
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


(Rattus norvegicus (rat))
BDBM50221985
PNG
(CHEMBL241010 | H-Dmt-Tic-NH-CH2-CH2-NH2)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCN |w:23.26|
Show InChI InChI=1S/C23H30N4O3/c1-14-9-18(28)10-15(2)19(14)12-20(25)23(30)27-13-17-6-4-3-5-16(17)11-21(27)22(29)26-8-7-24/h3-6,9-10,20-21,28H,7-8,11-13,24-25H2,1-2H3,(H,26,29)/t20-,21?/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
2.72n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu-opioid receptor in Sprague-Dawley rat brain P2 synaptosome membrane


Bioorg Med Chem 15: 6876-81 (2007)


Article DOI: 10.1016/j.bmc.2007.08.047
BindingDB Entry DOI: 10.7270/Q2XD11D9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50221985
PNG
(CHEMBL241010 | H-Dmt-Tic-NH-CH2-CH2-NH2)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCN |w:23.26|
Show InChI InChI=1S/C23H30N4O3/c1-14-9-18(28)10-15(2)19(14)12-20(25)23(30)27-13-17-6-4-3-5-16(17)11-21(27)22(29)26-8-7-24/h3-6,9-10,20-21,28H,7-8,11-13,24-25H2,1-2H3,(H,26,29)/t20-,21?/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 286n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Agonist activity at mu-opioid receptor in Hartley guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


Bioorg Med Chem 15: 6876-81 (2007)


Article DOI: 10.1016/j.bmc.2007.08.047
BindingDB Entry DOI: 10.7270/Q2XD11D9
More data for this
Ligand-Target Pair