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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50023633   
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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50023633
PNG
(CHEMBL3341880)
Show SMILES O=C(Nc1ccc(cc1)C#N)Nc1cccc(c1)-c1cccc(n1)N1CCCC1
Show InChI InChI=1S/C23H21N5O/c24-16-17-9-11-19(12-10-17)25-23(29)26-20-6-3-5-18(15-20)21-7-4-8-22(27-21)28-13-1-2-14-28/h3-12,15H,1-2,13-14H2,(H2,25,26,29)
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Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor stably expressed in RD-HGA16 cells assessed as inhibition of CP55,940-induced calcium mobilization after 15...


J Med Chem 57: 7758-69 (2014)


Article DOI: 10.1021/jm501042u
BindingDB Entry DOI: 10.7270/Q26W9CNX
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50023633
PNG
(CHEMBL3341880)
Show SMILES O=C(Nc1ccc(cc1)C#N)Nc1cccc(c1)-c1cccc(n1)N1CCCC1
Show InChI InChI=1S/C23H21N5O/c24-16-17-9-11-19(12-10-17)25-23(29)26-20-6-3-5-18(15-20)21-7-4-8-22(27-21)28-13-1-2-14-28/h3-12,15H,1-2,13-14H2,(H2,25,26,29)
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PC sid
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Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric antagonist activity at human CB1 receptor by Ca2+ assay


J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50023633
PNG
(CHEMBL3341880)
Show SMILES O=C(Nc1ccc(cc1)C#N)Nc1cccc(c1)-c1cccc(n1)N1CCCC1
Show InChI InChI=1S/C23H21N5O/c24-16-17-9-11-19(12-10-17)25-23(29)26-20-6-3-5-18(15-20)21-7-4-8-22(27-21)28-13-1-2-14-28/h3-12,15H,1-2,13-14H2,(H2,25,26,29)
PDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Allosteric antagonist activity at human CB1 receptor by Ca2+ assay


J Med Chem 62: 9806-9823 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01161
BindingDB Entry DOI: 10.7270/Q28D00R3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50023633
PNG
(CHEMBL3341880)
Show SMILES O=C(Nc1ccc(cc1)C#N)Nc1cccc(c1)-c1cccc(n1)N1CCCC1
Show InChI InChI=1S/C23H21N5O/c24-16-17-9-11-19(12-10-17)25-23(29)26-20-6-3-5-18(15-20)21-7-4-8-22(27-21)28-13-1-2-14-28/h3-12,15H,1-2,13-14H2,(H2,25,26,29)
PDB

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor stably expressed in RD-HGA16 cells assessed as inhibition of CP55,940-induced calcium mobilization after 15...


J Med Chem 57: 7758-69 (2014)


Article DOI: 10.1021/jm501042u
BindingDB Entry DOI: 10.7270/Q26W9CNX
More data for this
Ligand-Target Pair