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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 = 'BDBM50027790'   
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


(MOUSE)
BDBM50027790
PNG
(3,5-Dibromo-2-hydroxy-N-(3-trifluoromethyl-phenyl)...)
Show SMILES Oc1c(Br)cc(Br)cc1C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C14H8Br2F3NO2/c15-8-5-10(12(21)11(16)6-8)13(22)20-9-3-1-2-7(4-9)14(17,18)19/h1-6,21H,(H,20,22)
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CHEMBL
PC cid
PC sid
UniChem

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Similars

PubMed
n/an/a 8.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to induce 50% of maximal effect in mouse vas deferens expressing Opioid receptor delta 1


J Med Chem 26: 1643-5 (1983)


BindingDB Entry DOI: 10.7270/Q2N015J4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50027790
PNG
(3,5-Dibromo-2-hydroxy-N-(3-trifluoromethyl-phenyl)...)
Show SMILES Oc1c(Br)cc(Br)cc1C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C14H8Br2F3NO2/c15-8-5-10(12(21)11(16)6-8)13(22)20-9-3-1-2-7(4-9)14(17,18)19/h1-6,21H,(H,20,22)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to induce 50% of maximal effect in guinea pig ileum expressing Opioid receptor mu 1


J Med Chem 26: 1643-5 (1983)


BindingDB Entry DOI: 10.7270/Q2N015J4
More data for this
Ligand-Target Pair