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BDBM50332890 1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-Nisopropyl-4-methyl-1H-pyrazole-3-carboxamide::CHEMBL1631296

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

InChI Key: InChIKey=VRVLDRRTPIDVKF-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 = 50332890   
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))
BDBM50332890
PNG
(1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES CC(C)NC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl |(13.51,-5.25,;11.97,-5.24,;11.2,-6.57,;11.21,-3.91,;9.66,-3.9,;8.91,-2.58,;8.88,-5.25,;9.29,-6.72,;8.02,-7.57,;6.82,-6.61,;7.36,-5.18,;6.53,-3.87,;5.28,-6.53,;4.5,-5.2,;5.11,-3.78,;3.01,-5.53,;2.85,-7.04,;4.26,-7.67,;4.58,-9.18,;8.02,-9.12,;6.69,-9.89,;6.68,-11.44,;8.02,-12.21,;8.02,-13.75,;9.36,-11.44,;9.35,-9.89,;10.7,-9.1,)|
Show InChI InChI=1S/C20H22Cl2N4O/c1-11(2)23-19(27)18-14(5)20(25-12(3)6-7-13(25)4)26(24-18)17-9-8-15(21)10-16(17)22/h6-11H,1-5H3,(H,23,27)
PDB

NCI pathway
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
234n/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))
BDBM50332890
PNG
(1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES CC(C)NC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl |(13.51,-5.25,;11.97,-5.24,;11.2,-6.57,;11.21,-3.91,;9.66,-3.9,;8.91,-2.58,;8.88,-5.25,;9.29,-6.72,;8.02,-7.57,;6.82,-6.61,;7.36,-5.18,;6.53,-3.87,;5.28,-6.53,;4.5,-5.2,;5.11,-3.78,;3.01,-5.53,;2.85,-7.04,;4.26,-7.67,;4.58,-9.18,;8.02,-9.12,;6.69,-9.89,;6.68,-11.44,;8.02,-12.21,;8.02,-13.75,;9.36,-11.44,;9.35,-9.89,;10.7,-9.1,)|
Show InChI InChI=1S/C20H22Cl2N4O/c1-11(2)23-19(27)18-14(5)20(25-12(3)6-7-13(25)4)26(24-18)17-9-8-15(21)10-16(17)22/h6-11H,1-5H3,(H,23,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.80E+3n/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