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BDBM50271288 5-(4-Chloro-2-methylphenyl)-4-methyl-N-piperidin-1-yl-1-(2,4,6-trichlorophenyl)-1H-pyrazole-3-carboxamide::CHEMBL484506

SMILES: Cc1c(nn(c1-c1ccc(Cl)cc1C)-c1c(Cl)cc(Cl)cc1Cl)C(=O)NN1CCCCC1

InChI Key: InChIKey=QPEHOCICIVWIMK-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50271288   
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))
BDBM50271288
PNG
(5-(4-Chloro-2-methylphenyl)-4-methyl-N-piperidin-1...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1C)-c1c(Cl)cc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(-5.62,-17.45,;-4.47,-18.47,;-2.96,-18.14,;-2.19,-19.47,;-3.21,-20.62,;-4.62,-20,;-5.95,-20.77,;-5.95,-22.32,;-7.29,-23.1,;-8.62,-22.33,;-9.96,-23.09,;-8.62,-20.78,;-7.29,-20.01,;-7.3,-18.47,;-2.88,-22.12,;-1.42,-22.59,;-.29,-21.55,;-1.09,-24.09,;-2.23,-25.13,;-1.9,-26.64,;-3.7,-24.66,;-4.03,-23.16,;-5.49,-22.69,;-2.35,-16.73,;-3.26,-15.49,;-.81,-16.56,;-.2,-15.15,;1.34,-14.99,;1.96,-13.6,;1.06,-12.35,;-.47,-12.51,;-1.1,-13.92,)|
Show InChI InChI=1S/C23H22Cl4N4O/c1-13-10-15(24)6-7-17(13)21-14(2)20(23(32)29-30-8-4-3-5-9-30)28-31(21)22-18(26)11-16(25)12-19(22)27/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,29,32)
PDB

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PC cid
PC sid
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Similars

Article
PubMed
152n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SR141716 from human CB1 receptor expressed in CHO-K1 cells


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
BindingDB Entry DOI: 10.7270/Q29K4B0X
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50271288
PNG
(5-(4-Chloro-2-methylphenyl)-4-methyl-N-piperidin-1...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1C)-c1c(Cl)cc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(-5.62,-17.45,;-4.47,-18.47,;-2.96,-18.14,;-2.19,-19.47,;-3.21,-20.62,;-4.62,-20,;-5.95,-20.77,;-5.95,-22.32,;-7.29,-23.1,;-8.62,-22.33,;-9.96,-23.09,;-8.62,-20.78,;-7.29,-20.01,;-7.3,-18.47,;-2.88,-22.12,;-1.42,-22.59,;-.29,-21.55,;-1.09,-24.09,;-2.23,-25.13,;-1.9,-26.64,;-3.7,-24.66,;-4.03,-23.16,;-5.49,-22.69,;-2.35,-16.73,;-3.26,-15.49,;-.81,-16.56,;-.2,-15.15,;1.34,-14.99,;1.96,-13.6,;1.06,-12.35,;-.47,-12.51,;-1.1,-13.92,)|
Show InChI InChI=1S/C23H22Cl4N4O/c1-13-10-15(24)6-7-17(13)21-14(2)20(23(32)29-30-8-4-3-5-9-30)28-31(21)22-18(26)11-16(25)12-19(22)27/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,29,32)
PDB

NCI pathway
Reactome pathway
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UniProtKB/TrEMBL

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PC cid
PC sid
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Article
PubMed
251n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
BindingDB Entry DOI: 10.7270/Q29K4B0X
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50271288
PNG
(5-(4-Chloro-2-methylphenyl)-4-methyl-N-piperidin-1...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1C)-c1c(Cl)cc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(-5.62,-17.45,;-4.47,-18.47,;-2.96,-18.14,;-2.19,-19.47,;-3.21,-20.62,;-4.62,-20,;-5.95,-20.77,;-5.95,-22.32,;-7.29,-23.1,;-8.62,-22.33,;-9.96,-23.09,;-8.62,-20.78,;-7.29,-20.01,;-7.3,-18.47,;-2.88,-22.12,;-1.42,-22.59,;-.29,-21.55,;-1.09,-24.09,;-2.23,-25.13,;-1.9,-26.64,;-3.7,-24.66,;-4.03,-23.16,;-5.49,-22.69,;-2.35,-16.73,;-3.26,-15.49,;-.81,-16.56,;-.2,-15.15,;1.34,-14.99,;1.96,-13.6,;1.06,-12.35,;-.47,-12.51,;-1.1,-13.92,)|
Show InChI InChI=1S/C23H22Cl4N4O/c1-13-10-15(24)6-7-17(13)21-14(2)20(23(32)29-30-8-4-3-5-9-30)28-31(21)22-18(26)11-16(25)12-19(22)27/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,29,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.78E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO-K1 cells


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
BindingDB Entry DOI: 10.7270/Q29K4B0X
More data for this
Ligand-Target Pair