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BDBM68312 4-fluoranyl-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-methyl-1-benzothiophene-2-carboxamide::4-fluoro-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-methyl-1-benzothiophene-2-carboxamide::4-fluoro-N-(2-methoxy-5-morpholinosulfonyl-phenyl)-3-methyl-benzothiophene-2-carboxamide::4-fluoro-N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]-3-methyl-1-benzothiophene-2-carboxamide::MLS-0435538.0001::cid_16303023

SMILES: COc1ccc(cc1NC(=O)c1sc2cccc(F)c2c1C)S(=O)(=O)N1CCOCC1

InChI Key: InChIKey=PTAXWGQFEGHLRE-UHFFFAOYSA-N

Data: 3 IC50  2 EC50

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 5 hits for monomerid = 68312   
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))
BDBM68312
PNG
(4-fluoranyl-N-(2-methoxy-5-morpholin-4-ylsulfonyl-...)
Show SMILES COc1ccc(cc1NC(=O)c1sc2cccc(F)c2c1C)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H21FN2O5S2/c1-13-19-15(22)4-3-5-18(19)30-20(13)21(25)23-16-12-14(6-7-17(16)28-2)31(26,27)24-8-10-29-11-9-24/h3-7,12H,8-11H2,1-2H3,(H,23,25)
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n/an/a>3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CV4G56
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM68312
PNG
(4-fluoranyl-N-(2-methoxy-5-morpholin-4-ylsulfonyl-...)
Show SMILES COc1ccc(cc1NC(=O)c1sc2cccc(F)c2c1C)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H21FN2O5S2/c1-13-19-15(22)4-3-5-18(19)30-20(13)21(25)23-16-12-14(6-7-17(16)28-2)31(26,27)24-8-10-29-11-9-24/h3-7,12H,8-11H2,1-2H3,(H,23,25)
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n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI) Network: NIH Molec...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2833QFS
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM68312
PNG
(4-fluoranyl-N-(2-methoxy-5-morpholin-4-ylsulfonyl-...)
Show SMILES COc1ccc(cc1NC(=O)c1sc2cccc(F)c2c1C)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H21FN2O5S2/c1-13-19-15(22)4-3-5-18(19)30-20(13)21(25)23-16-12-14(6-7-17(16)28-2)31(26,27)24-8-10-29-11-9-24/h3-7,12H,8-11H2,1-2H3,(H,23,25)
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n/an/a>3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2VX0F02
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM68312
PNG
(4-fluoranyl-N-(2-methoxy-5-morpholin-4-ylsulfonyl-...)
Show SMILES COc1ccc(cc1NC(=O)c1sc2cccc(F)c2c1C)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H21FN2O5S2/c1-13-19-15(22)4-3-5-18(19)30-20(13)21(25)23-16-12-14(6-7-17(16)28-2)31(26,27)24-8-10-29-11-9-24/h3-7,12H,8-11H2,1-2H3,(H,23,25)
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n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Net...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q20P0XGZ
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens)
BDBM68312
PNG
(4-fluoranyl-N-(2-methoxy-5-morpholin-4-ylsulfonyl-...)
Show SMILES COc1ccc(cc1NC(=O)c1sc2cccc(F)c2c1C)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H21FN2O5S2/c1-13-19-15(22)4-3-5-18(19)30-20(13)21(25)23-16-12-14(6-7-17(16)28-2)31(26,27)24-8-10-29-11-9-24/h3-7,12H,8-11H2,1-2H3,(H,23,25)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Netw...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24B2ZRH
More data for this
Ligand-Target Pair