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BDBM50253587 1-(2,4-Dichlorophenyl)-4-methyl-5-[5-(3-phenoxyprop-1-ynyl)-thiophen-2-yl]-1H-pyrazole-3-carboxylic Acid Piperidin-1-ylamide::CHEMBL523872

SMILES: Cc1c(nn(c1-c1ccc(s1)C#CCOc1ccccc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1

InChI Key: InChIKey=SYYJKQJOSWHETE-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 = 50253587   
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))
BDBM50253587
PNG
(1-(2,4-Dichlorophenyl)-4-methyl-5-[5-(3-phenoxypro...)
Show SMILES Cc1c(nn(c1-c1ccc(s1)C#CCOc1ccccc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C29H26Cl2N4O2S/c1-20-27(29(36)33-34-16-6-3-7-17-34)32-35(25-14-12-21(30)19-24(25)31)28(20)26-15-13-23(38-26)11-8-18-37-22-9-4-2-5-10-22/h2,4-5,9-10,12-15,19H,3,6-7,16-18H2,1H3,(H,33,36)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.03E+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))
BDBM50253587
PNG
(1-(2,4-Dichlorophenyl)-4-methyl-5-[5-(3-phenoxypro...)
Show SMILES Cc1c(nn(c1-c1ccc(s1)C#CCOc1ccccc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C29H26Cl2N4O2S/c1-20-27(29(36)33-34-16-6-3-7-17-34)32-35(25-14-12-21(30)19-24(25)31)28(20)26-15-13-23(38-26)11-8-18-37-22-9-4-2-5-10-22/h2,4-5,9-10,12-15,19H,3,6-7,16-18H2,1H3,(H,33,36)
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UniChem
Article
PubMed
n/an/an/an/a 18.7n/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))
BDBM50253587
PNG
(1-(2,4-Dichlorophenyl)-4-methyl-5-[5-(3-phenoxypro...)
Show SMILES Cc1c(nn(c1-c1ccc(s1)C#CCOc1ccccc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C29H26Cl2N4O2S/c1-20-27(29(36)33-34-16-6-3-7-17-34)32-35(25-14-12-21(30)19-24(25)31)28(20)26-15-13-23(38-26)11-8-18-37-22-9-4-2-5-10-22/h2,4-5,9-10,12-15,19H,3,6-7,16-18H2,1H3,(H,33,36)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 43n/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