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BDBM68311 MLS-0435537.0001::N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide::N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide::N-(2-methoxy-5-morpholinosulfonyl-phenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide::N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide::cid_16305071

SMILES: COc1ccc(cc1NC(=O)c1cc2CCCCCc2s1)S(=O)(=O)N1CCOCC1

InChI Key: InChIKey=BZXFRVYHKUFYBJ-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 = 68311   
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))
BDBM68311
PNG
(MLS-0435537.0001 | N-(2-methoxy-5-morpholin-4-ylsu...)
Show SMILES COc1ccc(cc1NC(=O)c1cc2CCCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H26N2O5S2/c1-27-18-8-7-16(30(25,26)23-9-11-28-12-10-23)14-17(18)22-21(24)20-13-15-5-3-2-4-6-19(15)29-20/h7-8,13-14H,2-6,9-12H2,1H3,(H,22,24)
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Similars

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)
BDBM68311
PNG
(MLS-0435537.0001 | N-(2-methoxy-5-morpholin-4-ylsu...)
Show SMILES COc1ccc(cc1NC(=O)c1cc2CCCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H26N2O5S2/c1-27-18-8-7-16(30(25,26)23-9-11-28-12-10-23)14-17(18)22-21(24)20-13-15-5-3-2-4-6-19(15)29-20/h7-8,13-14H,2-6,9-12H2,1H3,(H,22,24)
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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))
BDBM68311
PNG
(MLS-0435537.0001 | N-(2-methoxy-5-morpholin-4-ylsu...)
Show SMILES COc1ccc(cc1NC(=O)c1cc2CCCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H26N2O5S2/c1-27-18-8-7-16(30(25,26)23-9-11-28-12-10-23)14-17(18)22-21(24)20-13-15-5-3-2-4-6-19(15)29-20/h7-8,13-14H,2-6,9-12H2,1H3,(H,22,24)
PDB

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n/an/a 2.06E+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))
BDBM68311
PNG
(MLS-0435537.0001 | N-(2-methoxy-5-morpholin-4-ylsu...)
Show SMILES COc1ccc(cc1NC(=O)c1cc2CCCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H26N2O5S2/c1-27-18-8-7-16(30(25,26)23-9-11-28-12-10-23)14-17(18)22-21(24)20-13-15-5-3-2-4-6-19(15)29-20/h7-8,13-14H,2-6,9-12H2,1H3,(H,22,24)
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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)
BDBM68311
PNG
(MLS-0435537.0001 | N-(2-methoxy-5-morpholin-4-ylsu...)
Show SMILES COc1ccc(cc1NC(=O)c1cc2CCCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H26N2O5S2/c1-27-18-8-7-16(30(25,26)23-9-11-28-12-10-23)14-17(18)22-21(24)20-13-15-5-3-2-4-6-19(15)29-20/h7-8,13-14H,2-6,9-12H2,1H3,(H,22,24)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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