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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nociceptin/mu opioid receptor' and Ligand = 'BDBM50185329'   
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50185329
PNG
(CHEMBL3823891)
Show SMILES CCCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc12 |r|
Show InChI InChI=1/C35H39N3O3/c1-4-7-34(40)38-15-14-32(37-35(41)31(36)21-29-22(2)16-28(39)17-23(29)3)30-20-25(11-13-33(30)38)18-24-10-12-26-8-5-6-9-27(26)19-24/h5-6,8-13,16-17,19-20,31-32,39H,4,7,14-15,18,21,36H2,1-3H3,(H,37,41)/t31-,32+/s2
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B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
0.140n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR transfected in rat C6 cell membranes after 1 hr by liquid scintillation counting


J Med Chem 59: 4985-98 (2016)


BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50185329
PNG
(CHEMBL3823891)
Show SMILES CCCC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)c2cc(Cc3ccc4ccccc4c3)ccc12 |r|
Show InChI InChI=1/C35H39N3O3/c1-4-7-34(40)38-15-14-32(37-35(41)31(36)21-29-22(2)16-28(39)17-23(29)3)30-20-25(11-13-33(30)38)18-24-10-12-26-8-5-6-9-27(26)19-24/h5-6,8-13,16-17,19-20,31-32,39H,4,7,14-15,18,21,36H2,1-3H3,(H,37,41)/t31-,32+/s2
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 0.900n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at rat MOR transfected in rat C6 cell membranes after 1 hr by [35S]GTPgammaS assay


J Med Chem 59: 4985-98 (2016)


BindingDB Entry DOI: 10.7270/Q28917SS
More data for this
Ligand-Target Pair