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BDBM50332888 1-(2,4-Dichlorophenyl)-N-(3,3-dimethylbutyl)-4-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide::CHEMBL1631289

SMILES: Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NCCC(C)(C)C

InChI Key: InChIKey=HAEKROWHXRTASV-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 = 50332888   
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))
BDBM50332888
PNG
(1-(2,4-Dichlorophenyl)-N-(3,3-dimethylbutyl)-4-met...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NCCC(C)(C)C
Show InChI InChI=1S/C21H24Cl2N4O/c1-14-18(19(28)24-10-9-21(2,3)4)25-27(20(14)26-11-5-6-12-26)17-8-7-15(22)13-16(17)23/h5-8,11-13H,9-10H2,1-4H3,(H,24,28)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
45.6n/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))
BDBM50332888
PNG
(1-(2,4-Dichlorophenyl)-N-(3,3-dimethylbutyl)-4-met...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NCCC(C)(C)C
Show InChI InChI=1S/C21H24Cl2N4O/c1-14-18(19(28)24-10-9-21(2,3)4)25-27(20(14)26-11-5-6-12-26)17-8-7-15(22)13-16(17)23/h5-8,11-13H,9-10H2,1-4H3,(H,24,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
52.4n/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