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BDBM50298938 CHEMBL574045::N-[2-(4-Chlorophenyl)ethyl]1-(3,4-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)c(Cl)c1)C(=O)NCCc1ccc(Cl)cc1

InChI Key: InChIKey=LGURXIHKGFCKQW-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 = 50298938   
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))
BDBM50298938
PNG
(CHEMBL574045 | N-[2-(4-Chlorophenyl)ethyl]1-(3,4-d...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NCCc1ccc(Cl)cc1 |(1.82,-24.7,;2.72,-23.45,;4.25,-23.43,;4.73,-21.97,;3.47,-21.07,;3.46,-19.53,;2.23,-21.99,;.76,-21.52,;.28,-20.06,;1.17,-18.81,;-1.27,-20.07,;-1.73,-21.54,;-.48,-22.43,;-.46,-23.98,;-1.79,-24.75,;-1.78,-26.29,;-.44,-27.06,;-.43,-28.59,;.89,-26.27,;2.23,-27.04,;.88,-24.73,;-2.18,-18.83,;-1.56,-17.42,;-3.71,-19,;-4.62,-17.76,;-6.15,-17.94,;-7.07,-16.7,;-8.6,-16.87,;-9.52,-15.63,;-8.9,-14.22,;-9.81,-12.98,;-7.37,-14.05,;-6.45,-15.29,)|
Show InChI InChI=1S/C25H23Cl3N4O/c1-15-4-5-16(2)31(15)25-17(3)23(30-32(25)20-10-11-21(27)22(28)14-20)24(33)29-13-12-18-6-8-19(26)9-7-18/h4-11,14H,12-13H2,1-3H3,(H,29,33)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
390n/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))
BDBM50298938
PNG
(CHEMBL574045 | N-[2-(4-Chlorophenyl)ethyl]1-(3,4-d...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NCCc1ccc(Cl)cc1 |(1.82,-24.7,;2.72,-23.45,;4.25,-23.43,;4.73,-21.97,;3.47,-21.07,;3.46,-19.53,;2.23,-21.99,;.76,-21.52,;.28,-20.06,;1.17,-18.81,;-1.27,-20.07,;-1.73,-21.54,;-.48,-22.43,;-.46,-23.98,;-1.79,-24.75,;-1.78,-26.29,;-.44,-27.06,;-.43,-28.59,;.89,-26.27,;2.23,-27.04,;.88,-24.73,;-2.18,-18.83,;-1.56,-17.42,;-3.71,-19,;-4.62,-17.76,;-6.15,-17.94,;-7.07,-16.7,;-8.6,-16.87,;-9.52,-15.63,;-8.9,-14.22,;-9.81,-12.98,;-7.37,-14.05,;-6.45,-15.29,)|
Show InChI InChI=1S/C25H23Cl3N4O/c1-15-4-5-16(2)31(15)25-17(3)23(30-32(25)20-10-11-21(27)22(28)14-20)24(33)29-13-12-18-6-8-19(26)9-7-18/h4-11,14H,12-13H2,1-3H3,(H,29,33)
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