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BDBM50320173 CHEMBL1085261::N-(7-(2-CHLOROPHENYL)-6-(4-CHLOROPHENYL)-2,2-DIMETHYL-3,4-DIHYDRO-2H-PYRANO[2,3-B]PYRIDIN-4-YL)-2-HYDROXYACETAMIDE (ENANTIOMERIC MIX)::N-(7-(2-chlorophenyl)-6-(4-chlorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)-2-hydroxyacetamide

SMILES: CC1(C)CC(NC(=O)CO)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl

InChI Key: InChIKey=XFJREZUFRMFGKX-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 = 50320173   
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))
BDBM50320173
PNG
(CHEMBL1085261 | N-(7-(2-CHLOROPHENYL)-6-(4-CHLOROP...)
Show SMILES CC1(C)CC(NC(=O)CO)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl
Show InChI InChI=1S/C24H22Cl2N2O3/c1-24(2)12-20(27-21(30)13-29)18-11-17(14-7-9-15(25)10-8-14)22(28-23(18)31-24)16-5-3-4-6-19(16)26/h3-11,20,29H,12-13H2,1-2H3,(H,27,30)
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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)


Article DOI: 10.1016/j.bmcl.2010.04.071
BindingDB Entry DOI: 10.7270/Q22F7NNR
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50320173
PNG
(CHEMBL1085261 | N-(7-(2-CHLOROPHENYL)-6-(4-CHLOROP...)
Show SMILES CC1(C)CC(NC(=O)CO)c2cc(-c3ccc(Cl)cc3)c(nc2O1)-c1ccccc1Cl
Show InChI InChI=1S/C24H22Cl2N2O3/c1-24(2)12-20(27-21(30)13-29)18-11-17(14-7-9-15(25)10-8-14)22(28-23(18)31-24)16-5-3-4-6-19(16)26/h3-11,20,29H,12-13H2,1-2H3,(H,27,30)
PDB

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 46n/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)


Article DOI: 10.1016/j.bmcl.2010.04.071
BindingDB Entry DOI: 10.7270/Q22F7NNR
More data for this
Ligand-Target Pair