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BDBM50332883 1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-Nheptyl-4-methyl-1H-pyrazole-3-carboxamide::CHEMBL1631291

SMILES: CCCCCCCNC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=WHMLWXOXVBGRER-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 = 50332883   
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))
BDBM50332883
PNG
(1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES CCCCCCCNC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl |(17.09,-5.48,;16.32,-4.15,;14.78,-4.15,;14,-2.82,;12.46,-2.82,;11.69,-1.49,;10.15,-1.5,;9.37,-.17,;7.83,-.17,;7.06,1.15,;7.05,-1.53,;7.47,-3,;6.19,-3.85,;4.99,-2.89,;5.53,-1.45,;4.7,-.15,;3.56,-3.44,;2.3,-2.54,;2.25,-.99,;1.08,-3.45,;1.55,-4.9,;3.09,-4.9,;3.61,-5.69,;6.19,-5.4,;4.86,-6.17,;4.86,-7.71,;6.19,-8.48,;6.19,-10.02,;7.53,-7.71,;7.53,-6.16,;8.87,-5.38,)|
Show InChI InChI=1S/C24H30Cl2N4O/c1-5-6-7-8-9-14-27-23(31)22-18(4)24(29-16(2)10-11-17(29)3)30(28-22)21-13-12-19(25)15-20(21)26/h10-13,15H,5-9,14H2,1-4H3,(H,27,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
97.2n/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))
BDBM50332883
PNG
(1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES CCCCCCCNC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl |(17.09,-5.48,;16.32,-4.15,;14.78,-4.15,;14,-2.82,;12.46,-2.82,;11.69,-1.49,;10.15,-1.5,;9.37,-.17,;7.83,-.17,;7.06,1.15,;7.05,-1.53,;7.47,-3,;6.19,-3.85,;4.99,-2.89,;5.53,-1.45,;4.7,-.15,;3.56,-3.44,;2.3,-2.54,;2.25,-.99,;1.08,-3.45,;1.55,-4.9,;3.09,-4.9,;3.61,-5.69,;6.19,-5.4,;4.86,-6.17,;4.86,-7.71,;6.19,-8.48,;6.19,-10.02,;7.53,-7.71,;7.53,-6.16,;8.87,-5.38,)|
Show InChI InChI=1S/C24H30Cl2N4O/c1-5-6-7-8-9-14-27-23(31)22-18(4)24(29-16(2)10-11-17(29)3)30(28-22)21-13-12-19(25)15-20(21)26/h10-13,15H,5-9,14H2,1-4H3,(H,27,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
205n/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