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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 = 'BDBM50204450'   
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))
BDBM50204450
PNG
(CHEMBL242048 | MCL-428)
Show SMILES O=C(Nc1ccccc1)Oc1ccc2CC3C4CCCCC4(CCN3CC3CCC3)c2c1 |TLB:25:24:13.30.14:16,31:30:16:24.22.23|
Show InChI InChI=1S/C28H34N2O2/c31-27(29-22-9-2-1-3-10-22)32-23-13-12-21-17-26-24-11-4-5-14-28(24,25(21)18-23)15-16-30(26)19-20-7-6-8-20/h1-3,9-10,12-13,18,20,24,26H,4-8,11,14-17,19H2,(H,29,31)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.0510n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human kappa opioid receptors expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 1508-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.013
BindingDB Entry DOI: 10.7270/Q2WS8V2W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50204450
PNG
(CHEMBL242048 | MCL-428)
Show SMILES O=C(Nc1ccccc1)Oc1ccc2CC3C4CCCCC4(CCN3CC3CCC3)c2c1 |TLB:25:24:13.30.14:16,31:30:16:24.22.23|
Show InChI InChI=1S/C28H34N2O2/c31-27(29-22-9-2-1-3-10-22)32-23-13-12-21-17-26-24-11-4-5-14-28(24,25(21)18-23)15-16-30(26)19-20-7-6-8-20/h1-3,9-10,12-13,18,20,24,26H,4-8,11,14-17,19H2,(H,29,31)
PDB

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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 2.20n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at huma kappa opioid receptor expressed in CHO cells assessed as U50488-stimulated of [35S]GTP-gamma-S binding


Bioorg Med Chem Lett 17: 1508-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.013
BindingDB Entry DOI: 10.7270/Q2WS8V2W
More data for this
Ligand-Target Pair