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BDBM50260681 4-[6-(3-Chloro-pyridin-4-yl)-5-(4-trifluoromethyl-phenyl)-pyrazin-2-yl]-thiomorpholine 1,1-dioxide::CHEMBL496091

SMILES: FC(F)(F)c1ccc(cc1)-c1ncc(nc1-c1ccncc1Cl)N1CCS(=O)(=O)CC1

InChI Key: InChIKey=BXHXLZHBDIEPER-UHFFFAOYSA-N

Data: 3 KI  1 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 4 hits for monomerid = 50260681   
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


(Rattus norvegicus (rat))
BDBM50260681
PNG
(4-[6-(3-Chloro-pyridin-4-yl)-5-(4-trifluoromethyl-...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ncc(nc1-c1ccncc1Cl)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C20H16ClF3N4O2S/c21-16-11-25-6-5-15(16)19-18(13-1-3-14(4-2-13)20(22,23)24)26-12-17(27-19)28-7-9-31(29,30)10-8-28/h1-6,11-12H,7-10H2
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PC cid
PC sid
UniChem
Article
PubMed
0.830n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at rat CB1 receptor in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 18: 3376-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.022
BindingDB Entry DOI: 10.7270/Q2QR4Z0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50260681
PNG
(4-[6-(3-Chloro-pyridin-4-yl)-5-(4-trifluoromethyl-...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ncc(nc1-c1ccncc1Cl)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C20H16ClF3N4O2S/c21-16-11-25-6-5-15(16)19-18(13-1-3-14(4-2-13)20(22,23)24)26-12-17(27-19)28-7-9-31(29,30)10-8-28/h1-6,11-12H,7-10H2
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0.830n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 18: 3376-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.022
BindingDB Entry DOI: 10.7270/Q2QR4Z0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50260681
PNG
(4-[6-(3-Chloro-pyridin-4-yl)-5-(4-trifluoromethyl-...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ncc(nc1-c1ccncc1Cl)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C20H16ClF3N4O2S/c21-16-11-25-6-5-15(16)19-18(13-1-3-14(4-2-13)20(22,23)24)26-12-17(27-19)28-7-9-31(29,30)10-8-28/h1-6,11-12H,7-10H2
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1.90E+3n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Antagonist activity at human CB2 receptor in SF9 cells assessed as inhibition of CP-55940-stimulated GTPgammaS binding


Bioorg Med Chem Lett 18: 3376-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.022
BindingDB Entry DOI: 10.7270/Q2QR4Z0T
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50260681
PNG
(4-[6-(3-Chloro-pyridin-4-yl)-5-(4-trifluoromethyl-...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ncc(nc1-c1ccncc1Cl)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C20H16ClF3N4O2S/c21-16-11-25-6-5-15(16)19-18(13-1-3-14(4-2-13)20(22,23)24)26-12-17(27-19)28-7-9-31(29,30)10-8-28/h1-6,11-12H,7-10H2
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n/an/a 4.20n/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Inverse agonist at human CB1 receptor expressed in SF9 cells assessed as decrease in GTPgammaS level


Bioorg Med Chem Lett 18: 3376-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.022
BindingDB Entry DOI: 10.7270/Q2QR4Z0T
More data for this
Ligand-Target Pair