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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 = 'BDBM50271818'   
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


(Cavia porcellus (domestic guinea pig))
BDBM50271818
PNG
((3R,6S)-7-(2-Bicyclo[2.2.1]hept-2-yl-ethyl)-3-cycl...)
Show SMILES COc1ccc(C[C@H]2CN3[C@@H](C[NH+]=C3N2CCC2CC3CCC2C3)C2CCCCC2)cc1 |r,c:12,THB:16:17:23:21.20|
Show InChI InChI=1S/C28H41N3O/c1-32-26-11-8-20(9-12-26)17-25-19-31-27(22-5-3-2-4-6-22)18-29-28(31)30(25)14-13-24-16-21-7-10-23(24)15-21/h8-9,11-12,21-25,27H,2-7,10,13-19H2,1H3/p+1/t21?,23?,24?,25-,27-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 219n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain homogenate


Bioorg Med Chem 16: 5932-8 (2008)


Article DOI: 10.1016/j.bmc.2008.04.061
BindingDB Entry DOI: 10.7270/Q2BG2PW7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50271818
PNG
((3R,6S)-7-(2-Bicyclo[2.2.1]hept-2-yl-ethyl)-3-cycl...)
Show SMILES COc1ccc(C[C@H]2CN3[C@@H](C[NH+]=C3N2CCC2CC3CCC2C3)C2CCCCC2)cc1 |r,c:12,THB:16:17:23:21.20|
Show InChI InChI=1S/C28H41N3O/c1-32-26-11-8-20(9-12-26)17-25-19-31-27(22-5-3-2-4-6-22)18-29-28(31)30(25)14-13-24-16-21-7-10-23(24)15-21/h8-9,11-12,21-25,27H,2-7,10,13-19H2,1H3/p+1/t21?,23?,24?,25-,27-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 219n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Inhibitory activity for kappa opioid receptor


J Med Chem 42: 3743-78 (1999)


BindingDB Entry DOI: 10.7270/Q22Z167W
More data for this
Ligand-Target Pair