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BDBM50382327 CHEMBL2022403

SMILES: Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(O)c1

InChI Key: InChIKey=KBDDMDHJOCKTJB-UHFFFAOYSA-N

Data: 1 KI  2 EC50

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 = 50382327   
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))
BDBM50382327
PNG
(CHEMBL2022403)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(O)c1
Show InChI InChI=1S/C23H16Cl3N3O2/c1-13-21(23(31)27-17-3-2-4-18(30)12-17)28-29(20-10-9-16(25)11-19(20)26)22(13)14-5-7-15(24)8-6-14/h2-12,30H,1H3,(H,27,31)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
52n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from CB1 receptor after 90 mins by liquid scintillation counting


ACS Med Chem Lett 2: 793-797 (2011)


Article DOI: 10.1021/ml200091q
BindingDB Entry DOI: 10.7270/Q2KK9CS1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50382327
PNG
(CHEMBL2022403)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(O)c1
Show InChI InChI=1S/C23H16Cl3N3O2/c1-13-21(23(31)27-17-3-2-4-18(30)12-17)28-29(20-10-9-16(25)11-19(20)26)22(13)14-5-7-15(24)8-6-14/h2-12,30H,1H3,(H,27,31)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 989n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in MCF7 cells co-transfected CPTI DR1-type RE after 16 hrs by luciferase reporter gene assay


ACS Med Chem Lett 2: 793-797 (2011)


Article DOI: 10.1021/ml200091q
BindingDB Entry DOI: 10.7270/Q2KK9CS1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50382327
PNG
(CHEMBL2022403)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(O)c1
Show InChI InChI=1S/C23H16Cl3N3O2/c1-13-21(23(31)27-17-3-2-4-18(30)12-17)28-29(20-10-9-16(25)11-19(20)26)22(13)14-5-7-15(24)8-6-14/h2-12,30H,1H3,(H,27,31)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 887n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in MCF7 cells co-transfected CPTI DR1-type RE after 6 hrs by luciferase reporter gene assay


ACS Med Chem Lett 2: 793-797 (2011)


Article DOI: 10.1021/ml200091q
BindingDB Entry DOI: 10.7270/Q2KK9CS1
More data for this
Ligand-Target Pair