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BDBM50279169 2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-methyl-1Hpyrazol-3-yl]-5,5-dimethyl-3,5-dihydro-imidazol-4-one::CHEMBL496695

SMILES: Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(C)(C)C(=O)N1

InChI Key: InChIKey=HDMBJOMYKUDPRX-UHFFFAOYSA-N

Data: 2 IC50

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 = 50279169   
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))
BDBM50279169
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-m...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(C)(C)C(=O)N1 |t:24|
Show InChI InChI=1S/C21H17Cl3N4O/c1-11-17(19-25-20(29)21(2,3)26-19)27-28(16-9-8-14(23)10-15(16)24)18(11)12-4-6-13(22)7-5-12/h4-10H,1-3H3,(H,25,26,29)
PDB

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Similars

Article
PubMed
n/an/a 3.50E+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))
BDBM50279169
PNG
(2-[5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-m...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C1=NC(C)(C)C(=O)N1 |t:24|
Show InChI InChI=1S/C21H17Cl3N4O/c1-11-17(19-25-20(29)21(2,3)26-19)27-28(16-9-8-14(23)10-15(16)24)18(11)12-4-6-13(22)7-5-12/h4-10H,1-3H3,(H,25,26,29)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 53.4n/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