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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 = 'BDBM50045744'   
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))
BDBM50045744
PNG
(3-(3,4-Dimethyl-1-pentyl-piperidin-4-yl)-phenol | ...)
Show SMILES CCCCCN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1
Show InChI InChI=1S/C18H29NO/c1-4-5-6-11-19-12-10-18(3,15(2)14-19)16-8-7-9-17(20)13-16/h7-9,13,15,20H,4-6,10-12,14H2,1-3H3/t15-,18+/m0/s1
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
4.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu-opioid receptor by the displacement of [3H]-Nal in rat brain homogenates


J Med Chem 36: 2842-50 (1993)


BindingDB Entry DOI: 10.7270/Q2R78D9W
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50045744
PNG
(3-(3,4-Dimethyl-1-pentyl-piperidin-4-yl)-phenol | ...)
Show SMILES CCCCCN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1
Show InChI InChI=1S/C18H29NO/c1-4-5-6-11-19-12-10-18(3,15(2)14-19)16-8-7-9-17(20)13-16/h7-9,13,15,20H,4-6,10-12,14H2,1-3H3/t15-,18+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
4.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor by displacement of [3H]-NAL from rat brain homogenates


J Med Chem 36: 2833-41 (1993)


BindingDB Entry DOI: 10.7270/Q2W0951M
More data for this
Ligand-Target Pair