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BDBM50332892 1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-N-tert-pentyl-1H-pyrazole-3-carboxamide::CHEMBL1631298

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

InChI Key: InChIKey=XQGJEFOMDMDKQT-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 = 50332892   
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 2


(Homo sapiens (Human))
BDBM50332892
PNG
(1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES CCC(C)(C)NC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl |(13.97,-1.89,;13.2,-3.22,;11.66,-3.23,;10.32,-3.98,;11.65,-4.76,;10.89,-1.9,;9.34,-1.9,;8.58,-.58,;8.56,-3.25,;8.98,-4.72,;7.71,-5.58,;6.51,-4.61,;7.05,-3.18,;6.22,-1.87,;4.97,-4.7,;4.05,-3.45,;4.51,-1.98,;2.61,-3.93,;2.6,-5.46,;4.08,-5.93,;4.55,-7.4,;7.7,-7.12,;6.38,-7.89,;6.37,-9.44,;7.71,-10.21,;7.71,-11.75,;9.04,-9.44,;9.04,-7.89,;10.39,-7.1,)|
Show InChI InChI=1S/C22H26Cl2N4O/c1-7-22(5,6)25-20(29)19-15(4)21(27-13(2)8-9-14(27)3)28(26-19)18-11-10-16(23)12-17(18)24/h8-12H,7H2,1-6H3,(H,25,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
122n/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
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332892
PNG
(1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES CCC(C)(C)NC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl |(13.97,-1.89,;13.2,-3.22,;11.66,-3.23,;10.32,-3.98,;11.65,-4.76,;10.89,-1.9,;9.34,-1.9,;8.58,-.58,;8.56,-3.25,;8.98,-4.72,;7.71,-5.58,;6.51,-4.61,;7.05,-3.18,;6.22,-1.87,;4.97,-4.7,;4.05,-3.45,;4.51,-1.98,;2.61,-3.93,;2.6,-5.46,;4.08,-5.93,;4.55,-7.4,;7.7,-7.12,;6.38,-7.89,;6.37,-9.44,;7.71,-10.21,;7.71,-11.75,;9.04,-9.44,;9.04,-7.89,;10.39,-7.1,)|
Show InChI InChI=1S/C22H26Cl2N4O/c1-7-22(5,6)25-20(29)19-15(4)21(27-13(2)8-9-14(27)3)28(26-19)18-11-10-16(23)12-17(18)24/h8-12H,7H2,1-6H3,(H,25,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
194n/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