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BDBM50332875 1-(2,4-Dichlorophenyl)-N-(5-hydroxypentyl)-4-methyl-5-(1Hpyrrol-1-yl)-1H-pyrazole-3-carboxamide::CHEMBL1631163

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

InChI Key: InChIKey=FXIMAZQXUVYWEV-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50332875   
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))
BDBM50332875
PNG
(1-(2,4-Dichlorophenyl)-N-(5-hydroxypentyl)-4-methy...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCO
Show InChI InChI=1S/C20H22Cl2N4O2/c1-14-18(19(28)23-9-3-2-6-12-27)24-26(20(14)25-10-4-5-11-25)17-8-7-15(21)13-16(17)22/h4-5,7-8,10-11,13,27H,2-3,6,9,12H2,1H3,(H,23,28)
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
534n/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))
BDBM50332875
PNG
(1-(2,4-Dichlorophenyl)-N-(5-hydroxypentyl)-4-methy...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCO
Show InChI InChI=1S/C20H22Cl2N4O2/c1-14-18(19(28)23-9-3-2-6-12-27)24-26(20(14)25-10-4-5-11-25)17-8-7-15(21)13-16(17)22/h4-5,7-8,10-11,13,27H,2-3,6,9,12H2,1H3,(H,23,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.34E+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