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BDBM50253329 1-(2,4-Dichlorophenyl)-5-(5-(3,3-dimethylbut-1-ynyl)thiophen-2-yl)-N-(hexahydrocyclopenta[c]pyrrol-2(1H)-yl)-4-methyl-1H-pyrazole-3-carboxamide::CHEMBL523550

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

InChI Key: InChIKey=NFIWLNMDHVXQJS-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 = 50253329   
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))
BDBM50253329
PNG
(1-(2,4-Dichlorophenyl)-5-(5-(3,3-dimethylbut-1-yny...)
Show SMILES Cc1c(nn(c1-c1ccc(s1)C#CC(C)(C)C)-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1
Show InChI InChI=1S/C28H30Cl2N4OS/c1-17-25(27(35)32-33-15-18-6-5-7-19(18)16-33)31-34(23-10-8-20(29)14-22(23)30)26(17)24-11-9-21(36-24)12-13-28(2,3)4/h8-11,14,18-19H,5-7,15-16H2,1-4H3,(H,32,35)
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Article
PubMed
n/an/a 21.7n/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 1


(Homo sapiens (Human))
BDBM50253329
PNG
(1-(2,4-Dichlorophenyl)-5-(5-(3,3-dimethylbut-1-yny...)
Show SMILES Cc1c(nn(c1-c1ccc(s1)C#CC(C)(C)C)-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1
Show InChI InChI=1S/C28H30Cl2N4OS/c1-17-25(27(35)32-33-15-18-6-5-7-19(18)16-33)31-34(23-10-8-20(29)14-22(23)30)26(17)24-11-9-21(36-24)12-13-28(2,3)4/h8-11,14,18-19H,5-7,15-16H2,1-4H3,(H,32,35)
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PC sid
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Article
PubMed
n/an/an/an/a 158n/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 2


(Homo sapiens (Human))
BDBM50253329
PNG
(1-(2,4-Dichlorophenyl)-5-(5-(3,3-dimethylbut-1-yny...)
Show SMILES Cc1c(nn(c1-c1ccc(s1)C#CC(C)(C)C)-c1ccc(Cl)cc1Cl)C(=O)NN1CC2CCCC2C1
Show InChI InChI=1S/C28H30Cl2N4OS/c1-17-25(27(35)32-33-15-18-6-5-7-19(18)16-33)31-34(23-10-8-20(29)14-22(23)30)26(17)24-11-9-21(36-24)12-13-28(2,3)4/h8-11,14,18-19H,5-7,15-16H2,1-4H3,(H,32,35)
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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.16E+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