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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 = 'BDBM50171170'   
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


(Homo sapiens (Human))
BDBM50171170
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Acetoxy-3-furan-3-yl...)
Show SMILES COCOC(=O)[C@@H]1C[C@H](OC(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/C24H30O9/c1-13(25)32-17-9-16(21(27)31-12-29-4)23(2)7-5-15-22(28)33-18(14-6-8-30-11-14)10-24(15,3)20(23)19(17)26/h6,8,11,15-18,20H,5,7,9-10,12H2,1-4H3/t15-,16-,17-,18-,20-,23-,24-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
100n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)


Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50171170
PNG
((3S,4aR,4bS,6S,8R,8aR,10aR)-6-Acetoxy-3-furan-3-yl...)
Show SMILES COCOC(=O)[C@@H]1C[C@H](OC(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/C24H30O9/c1-13(25)32-17-9-16(21(27)31-12-29-4)23(2)7-5-15-22(28)33-18(14-6-8-30-11-14)10-24(15,3)20(23)19(17)26/h6,8,11,15-18,20H,5,7,9-10,12H2,1-4H3/t15-,16-,17-,18-,20-,23-,24-/m0/s1
PDB

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 58n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Concentration required to enhance [35S]-GTP-gammaS, binding to human Opioid receptor kappa expressed in CHO cells


Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair