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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50205443'   
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
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50205443
PNG
(2-epi-2-thiosalvinorin A | CHEMBL231537)
Show SMILES COC(=O)[C@@H]1C[C@@H](SC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H28O7S/c1-12(24)31-17-9-15(20(26)28-4)22(2)7-5-14-21(27)30-16(13-6-8-29-11-13)10-23(14,3)19(22)18(17)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17+,19-,22-,23-/m0/s1
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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
151n/an/an/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from rat cloned KOR


Bioorg Med Chem Lett 17: 2229-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.100
BindingDB Entry DOI: 10.7270/Q2MC8ZPK
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50205443
PNG
(2-epi-2-thiosalvinorin A | CHEMBL231537)
Show SMILES COC(=O)[C@@H]1C[C@@H](SC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C23H28O7S/c1-12(24)31-17-9-15(20(26)28-4)22(2)7-5-14-21(27)30-16(13-6-8-29-11-13)10-23(14,3)19(22)18(17)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17+,19-,22-,23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 123n/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Activity at human kappa opioid receptor expressed in HEK293 cells as intracellular calcium mobilization


Bioorg Med Chem Lett 17: 2229-32 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.100
BindingDB Entry DOI: 10.7270/Q2MC8ZPK
More data for this
Ligand-Target Pair