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BDBM50320202 7-(2-chlorophenyl)-6-(4-chlorophenyl)-3,4-dihydrospiro[pyrano[2,3-b]pyridine-2,4'-[1thiane]-1',1',4-trione::CHEMBL1086271

SMILES: Clc1ccc(cc1)-c1cc2C(=O)CC3(CCS(=O)(=O)CC3)Oc2nc1-c1ccccc1Cl

InChI Key: InChIKey=XURGCSXOVSOUHR-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 = 50320202   
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))
BDBM50320202
PNG
(7-(2-chlorophenyl)-6-(4-chlorophenyl)-3,4-dihydros...)
Show SMILES Clc1ccc(cc1)-c1cc2C(=O)CC3(CCS(=O)(=O)CC3)Oc2nc1-c1ccccc1Cl
Show InChI InChI=1S/C24H19Cl2NO4S/c25-16-7-5-15(6-8-16)18-13-19-21(28)14-24(9-11-32(29,30)12-10-24)31-23(19)27-22(18)17-3-1-2-4-20(17)26/h1-8,13H,9-12,14H2
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Article
PubMed
n/an/a 4.10E+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))
BDBM50320202
PNG
(7-(2-chlorophenyl)-6-(4-chlorophenyl)-3,4-dihydros...)
Show SMILES Clc1ccc(cc1)-c1cc2C(=O)CC3(CCS(=O)(=O)CC3)Oc2nc1-c1ccccc1Cl
Show InChI InChI=1S/C24H19Cl2NO4S/c25-16-7-5-15(6-8-16)18-13-19-21(28)14-24(9-11-32(29,30)12-10-24)31-23(19)27-22(18)17-3-1-2-4-20(17)26/h1-8,13H,9-12,14H2
PDB

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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 15n/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