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BDBM50253477 5-(5-(Cyclopentylethynyl)thiophen-2-yl)-1-(2,4-dichlorophenyl)-N-(hexahydrocyclopenta[c]pyrrol-2(1H)-yl)-4-methyl-1H-pyrazole-3-carboxamide::CHEMBL493303

SMILES: Cc1c(nn(c1-c1ccc(s1)C#CC1CCCC1)-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1

InChI Key: InChIKey=QAEWAHLAMDQNLZ-UHFFFAOYSA-N

Data: 2 IC50  1 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 3 hits for monomerid = 50253477   
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 2


(Homo sapiens (Human))
BDBM50253477
PNG
(5-(5-(Cyclopentylethynyl)thiophen-2-yl)-1-(2,4-dic...)
Show SMILES Cc1c(nn(c1-c1ccc(s1)C#CC1CCCC1)-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1
Show InChI InChI=1S/C29H30Cl2N4OS/c1-18-27(29(36)33-34-16-20-7-4-8-21(20)17-34)32-35(25-13-10-22(30)15-24(25)31)28(18)26-14-12-23(37-26)11-9-19-5-2-3-6-19/h10,12-15,19-21H,2-8,16-17H2,1H3,(H,33,36)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 902n/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))
BDBM50253477
PNG
(5-(5-(Cyclopentylethynyl)thiophen-2-yl)-1-(2,4-dic...)
Show SMILES Cc1c(nn(c1-c1ccc(s1)C#CC1CCCC1)-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1
Show InChI InChI=1S/C29H30Cl2N4OS/c1-18-27(29(36)33-34-16-20-7-4-8-21(20)17-34)32-35(25-13-10-22(30)15-24(25)31)28(18)26-14-12-23(37-26)11-9-19-5-2-3-6-19/h10,12-15,19-21H,2-8,16-17H2,1H3,(H,33,36)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 99.3n/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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50253477
PNG
(5-(5-(Cyclopentylethynyl)thiophen-2-yl)-1-(2,4-dic...)
Show SMILES Cc1c(nn(c1-c1ccc(s1)C#CC1CCCC1)-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1
Show InChI InChI=1S/C29H30Cl2N4OS/c1-18-27(29(36)33-34-16-20-7-4-8-21(20)17-34)32-35(25-13-10-22(30)15-24(25)31)28(18)26-14-12-23(37-26)11-9-19-5-2-3-6-19/h10,12-15,19-21H,2-8,16-17H2,1H3,(H,33,36)
PDB

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Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10.5n/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