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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Opioid receptors; mu/kappa/delta' and Ligand = 'BDBM50377009'   
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
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50377009
PNG
(CHEMBL257140)
Show SMILES CN(Cc1ccccc1)S(=O)(=O)c1cc2OCOc2cc1CC(=O)N(C)[C@H](CN1CCCC1)c1ccccc1
Show InChI InChI=1S/C30H35N3O5S/c1-31(20-23-11-5-3-6-12-23)39(35,36)29-19-28-27(37-22-38-28)17-25(29)18-30(34)32(2)26(21-33-15-9-10-16-33)24-13-7-4-8-14-24/h3-8,11-14,17,19,26H,9-10,15-16,18,20-22H2,1-2H3/t26-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
0.190n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 18: 3667-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.116
BindingDB Entry DOI: 10.7270/Q2TX3G7F
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50377009
PNG
(CHEMBL257140)
Show SMILES CN(Cc1ccccc1)S(=O)(=O)c1cc2OCOc2cc1CC(=O)N(C)[C@H](CN1CCCC1)c1ccccc1
Show InChI InChI=1S/C30H35N3O5S/c1-31(20-23-11-5-3-6-12-23)39(35,36)29-19-28-27(37-22-38-28)17-25(29)18-30(34)32(2)26(21-33-15-9-10-16-33)24-13-7-4-8-14-24/h3-8,11-14,17,19,26H,9-10,15-16,18,20-22H2,1-2H3/t26-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.120n/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor transfected in CHO cells by [35S]GTP-gamma-S binding assay


Bioorg Med Chem Lett 18: 3667-71 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.116
BindingDB Entry DOI: 10.7270/Q2TX3G7F
More data for this
Ligand-Target Pair