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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 = 'BDBM50386378'   
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))
BDBM50386378
PNG
(CHEMBL2048415)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=C(C)N)cc1 |w:24.25|
Show InChI InChI=1S/C24H33N5O/c1-5-28(6-2)14-15-29-23-13-10-20(26-18(4)25)17-22(23)27-24(29)16-19-8-11-21(12-9-19)30-7-3/h8-13,17H,5-7,14-16H2,1-4H3,(H2,25,26)
PDB

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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
48n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK-293 cells by scintillation counting


ACS Med Chem Lett 3: 227-231 (2012)


Article DOI: 10.1021/ml200268w
BindingDB Entry DOI: 10.7270/Q2TX3GF4
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50386378
PNG
(CHEMBL2048415)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=C(C)N)cc1 |w:24.25|
Show InChI InChI=1S/C24H33N5O/c1-5-28(6-2)14-15-29-23-13-10-20(26-18(4)25)17-22(23)27-24(29)16-19-8-11-21(12-9-19)30-7-3/h8-13,17H,5-7,14-16H2,1-4H3,(H2,25,26)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 940n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 1 hr by HTRF ...


ACS Med Chem Lett 3: 227-231 (2012)


Article DOI: 10.1021/ml200268w
BindingDB Entry DOI: 10.7270/Q2TX3GF4
More data for this
Ligand-Target Pair