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BDBM50253301 1-(2,4-Dichlorophenyl)-5-(5-(3,3-dimethylbut-1-ynyl)thiophen-2-yl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide::CHEMBL522165

SMILES: Cc1c(nn(c1-c1ccc(s1)C#CC(C)(C)C)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1

InChI Key: InChIKey=YQBGGIBQNAEWKM-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 = 50253301   
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))
BDBM50253301
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)NN1CCCCC1
Show InChI InChI=1S/C26H28Cl2N4OS/c1-17-23(25(33)30-31-14-6-5-7-15-31)29-32(21-10-8-18(27)16-20(21)28)24(17)22-11-9-19(34-22)12-13-26(2,3)4/h8-11,16H,5-7,14-15H2,1-4H3,(H,30,33)
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PC sid
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Article
PubMed
n/an/a 32.7n/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))
BDBM50253301
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)NN1CCCCC1
Show InChI InChI=1S/C26H28Cl2N4OS/c1-17-23(25(33)30-31-14-6-5-7-15-31)29-32(21-10-8-18(27)16-20(21)28)24(17)22-11-9-19(34-22)12-13-26(2,3)4/h8-11,16H,5-7,14-15H2,1-4H3,(H,30,33)
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Article
PubMed
n/an/an/an/a 28.9n/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))
BDBM50253301
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)NN1CCCCC1
Show InChI InChI=1S/C26H28Cl2N4OS/c1-17-23(25(33)30-31-14-6-5-7-15-31)29-32(21-10-8-18(27)16-20(21)28)24(17)22-11-9-19(34-22)12-13-26(2,3)4/h8-11,16H,5-7,14-15H2,1-4H3,(H,30,33)
PDB

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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90E+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