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BDBM50279204 2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-ethyl-1H-pyrazol-3-yl]-1,3-diaza-spiro[4.4]non-1-en-4-one::CHEMBL497914

SMILES: CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC2(CCCC2)C(=O)N1

InChI Key: InChIKey=RWLYOWXSBNGGDM-UHFFFAOYSA-N

Data: 2 IC50

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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 = 50279204   
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 2


(Homo sapiens (Human))
BDBM50279204
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)
Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC2(CCCC2)C(=O)N1 |t:25|
Show InChI InChI=1S/C24H21Cl3N4O/c1-2-17-20(22-28-23(32)24(29-22)11-3-4-12-24)30-31(19-10-9-16(26)13-18(19)27)21(17)14-5-7-15(25)8-6-14/h5-10,13H,2-4,11-12H2,1H3,(H,28,29,32)
PDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1.37E+3n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB2R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
BindingDB Entry DOI: 10.7270/Q26W99Z4
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50279204
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-e...)
Show SMILES CCc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC2(CCCC2)C(=O)N1 |t:25|
Show InChI InChI=1S/C24H21Cl3N4O/c1-2-17-20(22-28-23(32)24(29-22)11-3-4-12-24)30-31(19-10-9-16(26)13-18(19)27)21(17)14-5-7-15(25)8-6-14/h5-10,13H,2-4,11-12H2,1H3,(H,28,29,32)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14.6n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human recombinant CB1R expressed in HEK293 cells


J Med Chem 52: 4496-510 (2009)


Article DOI: 10.1021/jm900471u
BindingDB Entry DOI: 10.7270/Q26W99Z4
More data for this
Ligand-Target Pair