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BDBM50320198 CHEMBL1084555::rac-7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-(3-fluorophenyl)-2H-pyrano[2,3-b]pyridin-4(3H)-one

SMILES: Fc1cccc(c1)C1CC(=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl

InChI Key: InChIKey=QUYRRBBIPJEXPS-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 = 50320198   
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))
BDBM50320198
PNG
(CHEMBL1084555 | rac-7-(2-chlorophenyl)-6-(4-chloro...)
Show SMILES Fc1cccc(c1)C1CC(=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl
Show InChI InChI=1S/C26H16Cl2FNO2/c27-17-10-8-15(9-11-17)20-13-21-23(31)14-24(16-4-3-5-18(29)12-16)32-26(21)30-25(20)19-6-1-2-7-22(19)28/h1-13,24H,14H2
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Article
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB2 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50320198
PNG
(CHEMBL1084555 | rac-7-(2-chlorophenyl)-6-(4-chloro...)
Show SMILES Fc1cccc(c1)C1CC(=O)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl
Show InChI InChI=1S/C26H16Cl2FNO2/c27-17-10-8-15(9-11-17)20-13-21-23(31)14-24(16-4-3-5-18(29)12-16)32-26(21)30-25(20)19-6-1-2-7-22(19)28/h1-13,24H,14H2
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor


Bioorg Med Chem Lett 20: 3750-4 (2010)

More data for this
Ligand-Target Pair