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BDBM50204202 6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(3,4-difluorophenoxy)nicotinonitrile::CHEMBL246931

SMILES: Fc1ccc(Oc2nc(-c3ccccc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1F

InChI Key: InChIKey=MLXAGNPFIQLVNQ-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 = 50204202   
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))
BDBM50204202
PNG
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(3,4-diflu...)
Show SMILES Fc1ccc(Oc2nc(-c3ccccc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C24H12Cl2F2N2O/c25-16-7-5-14(6-8-16)19-11-15(13-29)24(31-17-9-10-21(27)22(28)12-17)30-23(19)18-3-1-2-4-20(18)26/h1-12H
PDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 25n/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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50204202
PNG
(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(3,4-diflu...)
Show SMILES Fc1ccc(Oc2nc(-c3ccccc3Cl)c(cc2C#N)-c2ccc(Cl)cc2)cc1F
Show InChI InChI=1S/C24H12Cl2F2N2O/c25-16-7-5-14(6-8-16)19-11-15(13-29)24(31-17-9-10-21(27)22(28)12-17)30-23(19)18-3-1-2-4-20(18)26/h1-12H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.70E+3n/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