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BDBM50271815 (3S,6R)-3-Cyclohexyl-7-(3-cyclohexyl-propyl)-6-(4-methoxy-benzyl)-2,5,6,7-tetrahydro-3H-imidazo[1,2-a]imidazol-1-ium

SMILES: COc1ccc(C[C@@H]2CN3[C@H](C[NH+]=C3N2CCCC2CCCCC2)C2CCCCC2)cc1

InChI Key: InChIKey=UMIJHKIIVRNJCH-XNMGPUDCSA-O

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50271815   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50271815
PNG
((3S,6R)-3-Cyclohexyl-7-(3-cyclohexyl-propyl)-6-(4-...)
Show SMILES COc1ccc(C[C@@H]2CN3[C@H](C[NH+]=C3N2CCCC2CCCCC2)C2CCCCC2)cc1
Show InChI InChI=1S/C28H43N3O/c1-32-26-16-14-23(15-17-26)19-25-21-31-27(24-12-6-3-7-13-24)20-29-28(31)30(25)18-8-11-22-9-4-2-5-10-22/h14-17,22,24-25,27H,2-13,18-21H2,1H3/p+1/t25-,27-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.03E+3n/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))
BDBM50271815
PNG
((3S,6R)-3-Cyclohexyl-7-(3-cyclohexyl-propyl)-6-(4-...)
Show SMILES COc1ccc(C[C@@H]2CN3[C@H](C[NH+]=C3N2CCCC2CCCCC2)C2CCCCC2)cc1
Show InChI InChI=1S/C28H43N3O/c1-32-26-16-14-23(15-17-26)19-25-21-31-27(24-12-6-3-7-13-24)20-29-28(31)30(25)18-8-11-22-9-4-2-5-10-22/h14-17,22,24-25,27H,2-13,18-21H2,1H3/p+1/t25-,27-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.03E+3n/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)


Article DOI: 10.1021/jm990174v
BindingDB Entry DOI: 10.7270/Q22Z167W
More data for this
Ligand-Target Pair