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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 = 'BDBM50166725'   
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))
BDBM50166725
PNG
((3S,4aR,6S,8R,8aR)-6-Benzyloxy-3-furan-3-yl-4a,8a-...)
Show SMILES COC(=O)[C@@H]1C[C@H](OCc2ccccc2)C(=O)C2[C@@]1(C)CCC1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C28H32O7/c1-27-11-9-19-26(31)35-22(18-10-12-33-16-18)14-28(19,2)24(27)23(29)21(13-20(27)25(30)32-3)34-15-17-7-5-4-6-8-17/h4-8,10,12,16,19-22,24H,9,11,13-15H2,1-3H3/t19?,20-,21-,22-,24?,27-,28-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
75.7n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human Opioid receptor kappa 1 expressed in chinese hamster ovary cells


Bioorg Med Chem Lett 15: 2761-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.113
BindingDB Entry DOI: 10.7270/Q2TD9Z3J
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50166725
PNG
((3S,4aR,6S,8R,8aR)-6-Benzyloxy-3-furan-3-yl-4a,8a-...)
Show SMILES COC(=O)[C@@H]1C[C@H](OCc2ccccc2)C(=O)C2[C@@]1(C)CCC1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C28H32O7/c1-27-11-9-19-26(31)35-22(18-10-12-33-16-18)14-28(19,2)24(27)23(29)21(13-20(27)25(30)32-3)34-15-17-7-5-4-6-8-17/h4-8,10,12,16,19-22,24H,9,11,13-15H2,1-3H3/t19?,20-,21-,22-,24?,27-,28-/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 161n/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Effective concentration for activation of human Opioid receptor kappa 1 expressed in chinese hamster ovary cells to enhance [35S]GTP-gamma-S, binding


Bioorg Med Chem Lett 15: 2761-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.113
BindingDB Entry DOI: 10.7270/Q2TD9Z3J
More data for this
Ligand-Target Pair