new BindingDB logo
myBDB logout

BDBM50332882 1-(2,4-Difluorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-Nhexyl-4-methyl-1H-pyrazole-3-carboxamide::CHEMBL1631290

SMILES: CCCCCCNC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(F)cc1F

InChI Key: InChIKey=UXFOBTSZLFVGIK-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 = 50332882   
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))
BDBM50332882
PNG
(1-(2,4-Difluorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES CCCCCCNC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(F)cc1F |(11.99,-5.89,;10.45,-5.88,;9.69,-4.55,;8.15,-4.54,;7.38,-3.2,;5.84,-3.2,;5.08,-1.87,;3.53,-1.86,;2.77,-.54,;2.74,-3.21,;3.16,-4.68,;1.89,-5.53,;.68,-4.57,;1.23,-3.14,;.39,-1.83,;-.75,-5.12,;-2.01,-4.21,;-2.05,-2.66,;-3.23,-5.12,;-2.77,-6.57,;-1.22,-6.57,;-.53,-7.48,;1.88,-7.08,;.55,-7.85,;.55,-9.4,;1.89,-10.17,;1.89,-11.71,;3.22,-9.4,;3.22,-7.85,;4.56,-7.06,)|
Show InChI InChI=1S/C23H28F2N4O/c1-5-6-7-8-13-26-22(30)21-17(4)23(28-15(2)9-10-16(28)3)29(27-21)20-12-11-18(24)14-19(20)25/h9-12,14H,5-8,13H2,1-4H3,(H,26,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
311n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50332882
PNG
(1-(2,4-Difluorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES CCCCCCNC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(F)cc1F |(11.99,-5.89,;10.45,-5.88,;9.69,-4.55,;8.15,-4.54,;7.38,-3.2,;5.84,-3.2,;5.08,-1.87,;3.53,-1.86,;2.77,-.54,;2.74,-3.21,;3.16,-4.68,;1.89,-5.53,;.68,-4.57,;1.23,-3.14,;.39,-1.83,;-.75,-5.12,;-2.01,-4.21,;-2.05,-2.66,;-3.23,-5.12,;-2.77,-6.57,;-1.22,-6.57,;-.53,-7.48,;1.88,-7.08,;.55,-7.85,;.55,-9.4,;1.89,-10.17,;1.89,-11.71,;3.22,-9.4,;3.22,-7.85,;4.56,-7.06,)|
Show InChI InChI=1S/C23H28F2N4O/c1-5-6-7-8-13-26-22(30)21-17(4)23(28-15(2)9-10-16(28)3)29(27-21)20-12-11-18(24)14-19(20)25/h9-12,14H,5-8,13H2,1-4H3,(H,26,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
487n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair