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BDBM50298950 CHEMBL573805::N-Cyclopentyl-1-(2,4-dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-1H-pyrazole-3-carboxamide

SMILES: Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCC1

InChI Key: InChIKey=VZADTQBJFLJQCA-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 = 50298950   
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))
BDBM50298950
PNG
(CHEMBL573805 | N-Cyclopentyl-1-(2,4-dichlorophenyl...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCC1 |(2.54,-22.1,;3.41,-20.83,;4.95,-20.79,;5.39,-19.32,;4.12,-18.45,;4.08,-16.91,;2.9,-19.38,;1.43,-18.95,;.91,-17.5,;1.79,-16.22,;-.63,-17.54,;-1.07,-19.01,;.2,-19.88,;.24,-21.42,;1.6,-22.16,;1.63,-23.7,;.32,-24.5,;.36,-26.04,;-1.03,-23.77,;-1.07,-22.23,;-2.42,-21.49,;-1.56,-16.31,;-.98,-14.89,;-3.09,-16.52,;-4.03,-15.29,;-5.57,-15.33,;-6.08,-13.88,;-4.86,-12.94,;-3.59,-13.82,)|
Show InChI InChI=1S/C22H24Cl2N4O/c1-13-8-9-14(2)27(13)22-15(3)20(21(29)25-17-6-4-5-7-17)26-28(22)19-11-10-16(23)12-18(19)24/h8-12,17H,4-7H2,1-3H3,(H,25,29)
PDB

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KEGG

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PC cid
PC sid
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Similars

Article
PubMed
150n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


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


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50298950
PNG
(CHEMBL573805 | N-Cyclopentyl-1-(2,4-dichlorophenyl...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NC1CCCC1 |(2.54,-22.1,;3.41,-20.83,;4.95,-20.79,;5.39,-19.32,;4.12,-18.45,;4.08,-16.91,;2.9,-19.38,;1.43,-18.95,;.91,-17.5,;1.79,-16.22,;-.63,-17.54,;-1.07,-19.01,;.2,-19.88,;.24,-21.42,;1.6,-22.16,;1.63,-23.7,;.32,-24.5,;.36,-26.04,;-1.03,-23.77,;-1.07,-22.23,;-2.42,-21.49,;-1.56,-16.31,;-.98,-14.89,;-3.09,-16.52,;-4.03,-15.29,;-5.57,-15.33,;-6.08,-13.88,;-4.86,-12.94,;-3.59,-13.82,)|
Show InChI InChI=1S/C22H24Cl2N4O/c1-13-8-9-14(2)27(13)22-15(3)20(21(29)25-17-6-4-5-7-17)26-28(22)19-11-10-16(23)12-18(19)24/h8-12,17H,4-7H2,1-3H3,(H,25,29)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
310n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


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


Bioorg Med Chem 17: 5549-64 (2009)


Article DOI: 10.1016/j.bmc.2009.06.027
BindingDB Entry DOI: 10.7270/Q2XK8GHD
More data for this
Ligand-Target Pair