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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 = 'BDBM50254563'   
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


(GUINEA PIG)		BDBM50254563
PNG
(3-Cyclopropylmethyl-6-ethyl-11-methyl-1-oxo-1,2,3,...)
Show SMILES CCC12CCN(CC3CC3)C(C1C)C(=O)c1ccc(cc21)C(N)=O |TLB:14:13:11:5.4.3,6:5:11:15.20.13,THB:19:20:11:5.4.3|
Show InChI InChI=1S/C20H26N2O2/c1-3-20-8-9-22(11-13-4-5-13)17(12(20)2)18(23)15-7-6-14(19(21)24)10-16(15)20/h6-7,10,12-13,17H,3-5,8-9,11H2,1-2H3,(H2,21,24)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.20n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in guinea pig brain membranes after 60 mins by scintillation counting method

Eur J Med Chem 148: 410-422 (2018)


Article DOI: 10.1016/j.ejmech.2018.02.046
BindingDB Entry DOI: 10.7270/Q2QR50SX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)		BDBM50254563
PNG
(3-Cyclopropylmethyl-6-ethyl-11-methyl-1-oxo-1,2,3,...)
Show SMILES CCC12CCN(CC3CC3)C(C1C)C(=O)c1ccc(cc21)C(N)=O |TLB:14:13:11:5.4.3,6:5:11:15.20.13,THB:19:20:11:5.4.3|
Show InChI InChI=1S/C20H26N2O2/c1-3-20-8-9-22(11-13-4-5-13)17(12(20)2)18(23)15-7-6-14(19(21)24)10-16(15)20/h6-7,10,12-13,17H,3-5,8-9,11H2,1-2H3,(H2,21,24)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.20n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO form mu opioid receptor in guinea pig brain

Bioorg Med Chem Lett 19: 203-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K
More data for this
Ligand-Target Pair