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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 = 'BDBM50105070'   
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))
BDBM50105070
PNG
(1-{3-[(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-amino...)
Show SMILES Clc1cc2OCOc2cc1CNCCCn1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C18H18ClN3O3/c19-13-9-17-16(24-11-25-17)8-12(13)10-20-6-3-7-22-15-5-2-1-4-14(15)21-18(22)23/h1-2,4-5,8-9,20H,3,6-7,10-11H2,(H,21,23)
PDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 235n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Binding affinity against mu opiate receptor


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50105070
PNG
(1-{3-[(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-amino...)
Show SMILES Clc1cc2OCOc2cc1CNCCCn1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C18H18ClN3O3/c19-13-9-17-16(24-11-25-17)8-12(13)10-20-6-3-7-22-15-5-2-1-4-14(15)21-18(22)23/h1-2,4-5,8-9,20H,3,6-7,10-11H2,(H,21,23)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 235n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Binding affinity against mu-opiate receptor (human) using [3H]DAMGO radioligand


J Med Chem 44: 3378-90 (2001)


BindingDB Entry DOI: 10.7270/Q23X87B8
More data for this
Ligand-Target Pair