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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 = 'BDBM50148072'   
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))
BDBM50148072
PNG
(4-cyclopropylmethyl-17-(3-phenylpropoxy)-(1S,5R,17...)
Show SMILES O=C1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4cccc5OC1C2(CCN3CC1CC1)c45 |TLB:28:27:4:32.17.16|
Show InChI InChI=1S/C29H33NO3/c31-23-13-14-29(32-17-5-8-20-6-2-1-3-7-20)25-18-22-9-4-10-24-26(22)28(29,27(23)33-24)15-16-30(25)19-21-11-12-21/h1-4,6-7,9-10,21,25,27H,5,8,11-19H2/t25-,27?,28?,29-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
840n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity determined by displacing [3H]DAMGO from Opioid receptor mu 1 in rat brain membranes


J Med Chem 47: 3242-7 (2004)


Article DOI: 10.1021/jm031126k
BindingDB Entry DOI: 10.7270/Q2TD9WT4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50148072
PNG
(4-cyclopropylmethyl-17-(3-phenylpropoxy)-(1S,5R,17...)
Show SMILES O=C1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4cccc5OC1C2(CCN3CC1CC1)c45 |TLB:28:27:4:32.17.16|
Show InChI InChI=1S/C29H33NO3/c31-23-13-14-29(32-17-5-8-20-6-2-1-3-7-20)25-18-22-9-4-10-24-26(22)28(29,27(23)33-24)15-16-30(25)19-21-11-12-21/h1-4,6-7,9-10,21,25,27H,5,8,11-19H2/t25-,27?,28?,29-/m1/s1
PDB

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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 9.80n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Concentration necessary to produce 50% of the Emax value, i.e. to stimulate [35S]GTP-gamma-S, binding to recombinant human Opioid receptor mu 1 expre...


J Med Chem 47: 3242-7 (2004)


Article DOI: 10.1021/jm031126k
BindingDB Entry DOI: 10.7270/Q2TD9WT4
More data for this
Ligand-Target Pair