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BDBM50253756 CHEMBL461862::N-(Azepan-1-yl)-5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamid::N-(azepan-1-yl)-5-(5-chlorothiophen-2-yl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide

SMILES: Cc1c(nn(c1-c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1

InChI Key: InChIKey=GMJBSGFSLCGHEK-UHFFFAOYSA-N

Data: 2 IC50  3 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50253756   
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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253756
PNG
(CHEMBL461862 | N-(Azepan-1-yl)-5-(5-chlorothiophen...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C21H21Cl3N4OS/c1-13-19(21(29)26-27-10-4-2-3-5-11-27)25-28(16-7-6-14(22)12-15(16)23)20(13)17-8-9-18(24)30-17/h6-9,12H,2-5,10-11H2,1H3,(H,26,29)
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PC sid
UniChem
Article
PubMed
n/an/a 159n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50253756
PNG
(CHEMBL461862 | N-(Azepan-1-yl)-5-(5-chlorothiophen...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C21H21Cl3N4OS/c1-13-19(21(29)26-27-10-4-2-3-5-11-27)25-28(16-7-6-14(22)12-15(16)23)20(13)17-8-9-18(24)30-17/h6-9,12H,2-5,10-11H2,1H3,(H,26,29)
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n/an/a 2.16E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cells


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253756
PNG
(CHEMBL461862 | N-(Azepan-1-yl)-5-(5-chlorothiophen...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C21H21Cl3N4OS/c1-13-19(21(29)26-27-10-4-2-3-5-11-27)25-28(16-7-6-14(22)12-15(16)23)20(13)17-8-9-18(24)30-17/h6-9,12H,2-5,10-11H2,1H3,(H,26,29)
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n/an/an/an/a 1.10E+3n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human cannabinoid CB1 receptor expressed in CHOK1 cells assessed as cAMP activity


Bioorg Med Chem Lett 19: 2546-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.046
BindingDB Entry DOI: 10.7270/Q2TB16SP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50253756
PNG
(CHEMBL461862 | N-(Azepan-1-yl)-5-(5-chlorothiophen...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C21H21Cl3N4OS/c1-13-19(21(29)26-27-10-4-2-3-5-11-27)25-28(16-7-6-14(22)12-15(16)23)20(13)17-8-9-18(24)30-17/h6-9,12H,2-5,10-11H2,1H3,(H,26,29)
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n/an/an/an/a 1.28E+4n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human cannabinoid CB2 receptor expressed in CHOK1 cells assessed as cAMP activity


Bioorg Med Chem Lett 19: 2546-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.046
BindingDB Entry DOI: 10.7270/Q2TB16SP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253756
PNG
(CHEMBL461862 | N-(Azepan-1-yl)-5-(5-chlorothiophen...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)s1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCCC1
Show InChI InChI=1S/C21H21Cl3N4OS/c1-13-19(21(29)26-27-10-4-2-3-5-11-27)25-28(16-7-6-14(22)12-15(16)23)20(13)17-8-9-18(24)30-17/h6-9,12H,2-5,10-11H2,1H3,(H,26,29)
PDB

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PC cid
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UniChem
Article
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n/an/an/an/a 134n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in HEK293 cells assessed as inhibition of Eu-GTP binding


J Med Chem 51: 5397-412 (2008)


Article DOI: 10.1021/jm800066v
BindingDB Entry DOI: 10.7270/Q24M94BM
More data for this
Ligand-Target Pair