new BindingDB logo
myBDB logout

BDBM50332889 1-(2,4-Dichlorophenyl)-4-methyl-N-(octan-2-yl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide::CHEMBL1631295

SMILES: CCCCCCC(C)NC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=DOQRGXMYBKLLBR-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 = 50332889   
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))
BDBM50332889
PNG
(1-(2,4-Dichlorophenyl)-4-methyl-N-(octan-2-yl)-5-(...)
Show SMILES CCCCCCC(C)NC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H28Cl2N4O/c1-4-5-6-7-10-16(2)26-22(30)21-17(3)23(28-13-8-9-14-28)29(27-21)20-12-11-18(24)15-19(20)25/h8-9,11-16H,4-7,10H2,1-3H3,(H,26,30)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
158n/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))
BDBM50332889
PNG
(1-(2,4-Dichlorophenyl)-4-methyl-N-(octan-2-yl)-5-(...)
Show SMILES CCCCCCC(C)NC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H28Cl2N4O/c1-4-5-6-7-10-16(2)26-22(30)21-17(3)23(28-13-8-9-14-28)29(27-21)20-12-11-18(24)15-19(20)25/h8-9,11-16H,4-7,10H2,1-3H3,(H,26,30)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
237n/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