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BDBM50204183 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,5-difluorophenoxy)nicotinonitrile::CHEMBL246930

SMILES: Fc1cc(F)cc(Oc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)c1

InChI Key: InChIKey=HCHXKEGYBWXMJT-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 = 50204183   
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))
BDBM50204183
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,5-d...)
Show SMILES Fc1cc(F)cc(Oc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C24H11Cl3F2N2O/c25-15-3-1-13(2-4-15)21-7-14(12-30)24(32-19-10-17(28)9-18(29)11-19)31-23(21)20-6-5-16(26)8-22(20)27/h1-11H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 320n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB2 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50204183
PNG
(5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(3,5-d...)
Show SMILES Fc1cc(F)cc(Oc2nc(-c3ccc(Cl)cc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C24H11Cl3F2N2O/c25-15-3-1-13(2-4-15)21-7-14(12-30)24(32-19-10-17(28)9-18(29)11-19)31-23(21)20-6-5-16(26)8-22(20)27/h1-11H
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.910n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at CB1 receptor


Bioorg Med Chem Lett 17: 2031-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.005
BindingDB Entry DOI: 10.7270/Q27944BJ
More data for this
Ligand-Target Pair