new BindingDB logo
myBDB logout

BDBM50298957 CHEMBL576140::N-(4-Chlorophenyl)1-(2,4-dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-1H-pyrazole-3-carboxamide

SMILES: Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1

InChI Key: InChIKey=DKASLTCDRLHHOG-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50298957   
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))
BDBM50298957
PNG
(CHEMBL576140 | N-(4-Chlorophenyl)1-(2,4-dichloroph...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1 |(27.87,-23.36,;28.77,-22.11,;30.3,-22.09,;30.77,-20.63,;29.51,-19.74,;29.5,-18.2,;28.28,-20.65,;26.81,-20.18,;26.33,-18.72,;27.23,-17.47,;24.78,-18.74,;24.33,-20.2,;25.58,-21.1,;25.59,-22.64,;26.93,-23.39,;26.94,-24.93,;25.61,-25.72,;25.62,-27.25,;24.28,-24.95,;24.26,-23.41,;22.93,-22.66,;23.88,-17.5,;24.49,-16.09,;22.35,-17.67,;21.43,-16.44,;19.9,-16.61,;18.99,-15.37,;19.61,-13.96,;18.69,-12.72,;21.13,-13.79,;22.04,-15.03,)|
Show InChI InChI=1S/C23H19Cl3N4O/c1-13-4-5-14(2)29(13)23-15(3)21(22(31)27-18-9-6-16(24)7-10-18)28-30(23)20-11-8-17(25)12-19(20)26/h4-12H,1-3H3,(H,27,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
96n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298957
PNG
(CHEMBL576140 | N-(4-Chlorophenyl)1-(2,4-dichloroph...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1 |(27.87,-23.36,;28.77,-22.11,;30.3,-22.09,;30.77,-20.63,;29.51,-19.74,;29.5,-18.2,;28.28,-20.65,;26.81,-20.18,;26.33,-18.72,;27.23,-17.47,;24.78,-18.74,;24.33,-20.2,;25.58,-21.1,;25.59,-22.64,;26.93,-23.39,;26.94,-24.93,;25.61,-25.72,;25.62,-27.25,;24.28,-24.95,;24.26,-23.41,;22.93,-22.66,;23.88,-17.5,;24.49,-16.09,;22.35,-17.67,;21.43,-16.44,;19.9,-16.61,;18.99,-15.37,;19.61,-13.96,;18.69,-12.72,;21.13,-13.79,;22.04,-15.03,)|
Show InChI InChI=1S/C23H19Cl3N4O/c1-13-4-5-14(2)29(13)23-15(3)21(22(31)27-18-9-6-16(24)7-10-18)28-30(23)20-11-8-17(25)12-19(20)26/h4-12H,1-3H3,(H,27,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>3.94E+3n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair