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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 = 'BDBM50303631'   
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


(Homo sapiens (Human))
BDBM50303631
PNG
(CHEMBL571560 | N-Benzyl-17-(cyclobutylmethyl)morph...)
Show SMILES C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)c1ccccc1 |r,TLB:17:16:5.22.6:8|
Show InChI InChI=1S/C28H36N2/c1-2-7-21(8-3-1)19-29-24-13-12-23-17-27-25-11-4-5-14-28(25,26(23)18-24)15-16-30(27)20-22-9-6-10-22/h1-3,7-8,12-13,18,22,25,27,29H,4-6,9-11,14-17,19-20H2/t25-,27+,28+/m0/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303631
PNG
(CHEMBL571560 | N-Benzyl-17-(cyclobutylmethyl)morph...)
Show SMILES C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)c1ccccc1 |r,TLB:17:16:5.22.6:8|
Show InChI InChI=1S/C28H36N2/c1-2-7-21(8-3-1)19-29-24-13-12-23-17-27-25-11-4-5-14-28(25,26(23)18-24)15-16-30(27)20-22-9-6-10-22/h1-3,7-8,12-13,18,22,25,27,29H,4-6,9-11,14-17,19-20H2/t25-,27+,28+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells


J Med Chem 53: 402-18 (2010)


Article DOI: 10.1021/jm9013482
BindingDB Entry DOI: 10.7270/Q2668D84
More data for this
Ligand-Target Pair