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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'G-protein coupled receptor 55' and Ligand = 'BDBM50156107'   
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
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM50156107
PNG
(CHEMBL3779969)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)c4ccccc4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H30N4O3/c1-26(2)22-18-30(27-24(22)21-10-9-20(32-3)17-23(21)33-26)16-13-28-11-14-29(15-12-28)25(31)19-7-5-4-6-8-19/h4-10,17-18H,11-16H2,1-3H3
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.600n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Partial agonist activity at recombinant human GPR55 expressed in HEK293 cells after 5 mins by xCELLigence assay


J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM50156107
PNG
(CHEMBL3779969)
Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)c4ccccc4)cc3C(C)(C)Oc2c1
Show InChI InChI=1S/C26H30N4O3/c1-26(2)22-18-30(27-24(22)21-10-9-20(32-3)17-23(21)33-26)16-13-28-11-14-29(15-12-28)25(31)19-7-5-4-6-8-19/h4-10,17-18H,11-16H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 16n/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human GPR55 expressed in HEK293 cells assessed as inhibition of LPI mediated receptor activation by measuring LPI ...


J Med Chem 59: 1840-53 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01331
BindingDB Entry DOI: 10.7270/Q2BK1F8X
More data for this
Ligand-Target Pair