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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 = 'BDBM50327509'   
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))
BDBM50327509
PNG
((3S,4aR,4bS,6R,8R,8aR,10aR)-6-Bromo-3-furan-3-yl-4...)
Show SMILES COC(=O)[C@@H]1C[C@@H](Br)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C21H25BrO6/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17H,4,6,8-9H2,1-3H3/t12-,13-,14+,15-,17-,20-,21-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
42.3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.001
BindingDB Entry DOI: 10.7270/Q2S182QC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50327509
PNG
((3S,4aR,4bS,6R,8R,8aR,10aR)-6-Bromo-3-furan-3-yl-4...)
Show SMILES COC(=O)[C@@H]1C[C@@H](Br)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C21H25BrO6/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17H,4,6,8-9H2,1-3H3/t12-,13-,14+,15-,17-,20-,21-/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 282n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as increase of [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5749-52 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.001
BindingDB Entry DOI: 10.7270/Q2S182QC
More data for this
Ligand-Target Pair