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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50223496'   
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
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50223496
PNG
(CHEMBL282347)
Show SMILES Cl.CCC1C2Cc3ccc(O)cc3C1(CC)CCN2C(=O)C(N)CCSC |TLB:11:12:3:18.17.16|
Show InChI InChI=1S/C21H32N2O2S.ClH/c1-4-16-19-12-14-6-7-15(24)13-17(14)21(16,5-2)9-10-23(19)20(25)18(22)8-11-26-3;/h6-7,13,16,18-19,24H,4-5,8-12,22H2,1-3H3;1H
PDB
MMDB

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B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 301n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]naloxone from Opioid receptors in absence of NaCl


J Med Chem 24: 1297-9 (1981)


BindingDB Entry DOI: 10.7270/Q20C4XZN
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50223496
PNG
(CHEMBL282347)
Show SMILES Cl.CCC1C2Cc3ccc(O)cc3C1(CC)CCN2C(=O)C(N)CCSC |TLB:11:12:3:18.17.16|
Show InChI InChI=1S/C21H32N2O2S.ClH/c1-4-16-19-12-14-6-7-15(24)13-17(14)21(16,5-2)9-10-23(19)20(25)18(22)8-11-26-3;/h6-7,13,16,18-19,24H,4-5,8-12,22H2,1-3H3;1H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 5.59E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]naloxone from Opioid receptors in presence of NaCl (100 mM)


J Med Chem 24: 1297-9 (1981)


BindingDB Entry DOI: 10.7270/Q20C4XZN
More data for this
Ligand-Target Pair