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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 = 'BDBM50130612'   
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))
BDBM50130612
PNG
(2-Amino-N-[4-(2-amino-3-phenyl-propionylamino)-but...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCNC(=O)[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C24H34N4O3/c1-16-12-19(29)13-17(2)20(16)15-22(26)24(31)28-11-7-6-10-27-23(30)21(25)14-18-8-4-3-5-9-18/h3-5,8-9,12-13,21-22,29H,6-7,10-11,14-15,25-26H2,1-2H3,(H,27,30)(H,28,31)/t21-,22+/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.520n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Binding affinity for Opioid receptor mu 1 using [3H]-DAGO in rat brain P2 synaptosomal preparation


J Med Chem 46: 3201-9 (2003)


Article DOI: 10.1021/jm020459z
BindingDB Entry DOI: 10.7270/Q28C9VMQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50130612
PNG
(2-Amino-N-[4-(2-amino-3-phenyl-propionylamino)-but...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCNC(=O)[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C24H34N4O3/c1-16-12-19(29)13-17(2)20(16)15-22(26)24(31)28-11-7-6-10-27-23(30)21(25)14-18-8-4-3-5-9-18/h3-5,8-9,12-13,21-22,29H,6-7,10-11,14-15,25-26H2,1-2H3,(H,27,30)(H,28,31)/t21-,22+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 181n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 agonism in guinea pig ileum


J Med Chem 46: 3201-9 (2003)


Article DOI: 10.1021/jm020459z
BindingDB Entry DOI: 10.7270/Q28C9VMQ
More data for this
Ligand-Target Pair