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BDBM50332877 1-(2,4-Dichlorophenyl)-N-heptyl-4-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide::CHEMBL1631165

SMILES: CCCCCCCNC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=YJTWMZAVLSDQNV-UHFFFAOYSA-N

Data: 2 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50332877   
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))
BDBM50332877
PNG
(1-(2,4-Dichlorophenyl)-N-heptyl-4-methyl-5-(1H-pyr...)
Show SMILES CCCCCCCNC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H26Cl2N4O/c1-3-4-5-6-7-12-25-21(29)20-16(2)22(27-13-8-9-14-27)28(26-20)19-11-10-17(23)15-18(19)24/h8-11,13-15H,3-7,12H2,1-2H3,(H,25,29)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
211n/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))
BDBM50332877
PNG
(1-(2,4-Dichlorophenyl)-N-heptyl-4-methyl-5-(1H-pyr...)
Show SMILES CCCCCCCNC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H26Cl2N4O/c1-3-4-5-6-7-12-25-21(29)20-16(2)22(27-13-8-9-14-27)28(26-20)19-11-10-17(23)15-18(19)24/h8-11,13-15H,3-7,12H2,1-2H3,(H,25,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
255n/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