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BDBM50074311 1-(2,4-Dichloro-phenyl)-5-(2-iodo-phenyl)-4-methyl-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide::CHEMBL165134

SMILES: Cc1c(nn(c1-c1ccccc1I)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1

InChI Key: InChIKey=HIHGKITYYVMJEE-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50074311   
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


(Rattus norvegicus (rat))
BDBM50074311
PNG
(1-(2,4-Dichloro-phenyl)-5-(2-iodo-phenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccccc1I)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(2.9,-5.18,;3.85,-6.4,;5.39,-6.33,;5.92,-7.78,;4.7,-8.74,;3.41,-7.87,;1.97,-8.41,;1.73,-9.93,;.29,-10.44,;-.9,-9.47,;-.64,-7.94,;.8,-7.42,;1.07,-5.91,;4.76,-10.28,;3.47,-11.08,;3.51,-12.62,;4.88,-13.35,;4.92,-14.89,;6.17,-12.53,;6.11,-10.99,;7.42,-10.17,;6.24,-5.05,;5.56,-3.67,;7.78,-5.17,;8.64,-3.88,;10.17,-3.99,;11.02,-2.73,;10.37,-1.33,;8.83,-1.23,;7.96,-2.51,)|
Show InChI InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-5-2-6-12-28)26-29(19-10-9-15(23)13-17(19)24)21(14)16-7-3-4-8-18(16)25/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,27,30)
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
53.8n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Binding affinity against Cannabinoid receptor 1 in rat forebrain


J Med Chem 42: 769-76 (1999)


Article DOI: 10.1021/jm980363y
BindingDB Entry DOI: 10.7270/Q2FJ2FZV
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(MOUSE)
BDBM50074311
PNG
(1-(2,4-Dichloro-phenyl)-5-(2-iodo-phenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccccc1I)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(2.9,-5.18,;3.85,-6.4,;5.39,-6.33,;5.92,-7.78,;4.7,-8.74,;3.41,-7.87,;1.97,-8.41,;1.73,-9.93,;.29,-10.44,;-.9,-9.47,;-.64,-7.94,;.8,-7.42,;1.07,-5.91,;4.76,-10.28,;3.47,-11.08,;3.51,-12.62,;4.88,-13.35,;4.92,-14.89,;6.17,-12.53,;6.11,-10.99,;7.42,-10.17,;6.24,-5.05,;5.56,-3.67,;7.78,-5.17,;8.64,-3.88,;10.17,-3.99,;11.02,-2.73,;10.37,-1.33,;8.83,-1.23,;7.96,-2.51,)|
Show InChI InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-5-2-6-12-28)26-29(19-10-9-15(23)13-17(19)24)21(14)16-7-3-4-8-18(16)25/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,27,30)
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
577n/an/an/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Binding affinity against Cannabinoid receptor 2 in mouse spleen


J Med Chem 42: 769-76 (1999)


Article DOI: 10.1021/jm980363y
BindingDB Entry DOI: 10.7270/Q2FJ2FZV
More data for this
Ligand-Target Pair