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BDBM68292 MLS-0435525.0001::N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide::N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide::N-(2-chloro-5-morpholinosulfonyl-phenyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide::N-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide::cid_3886815

SMILES: Clc1ccc(cc1NC(=O)c1cc2CCCCc2s1)S(=O)(=O)N1CCOCC1

InChI Key: InChIKey=YSWPLEPAAGQXAS-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 = 68292   
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))
BDBM68292
PNG
(MLS-0435525.0001 | N-(2-chloranyl-5-morpholin-4-yl...)
Show SMILES Clc1ccc(cc1NC(=O)c1cc2CCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H21ClN2O4S2/c20-15-6-5-14(28(24,25)22-7-9-26-10-8-22)12-16(15)21-19(23)18-11-13-3-1-2-4-17(13)27-18/h5-6,11-12H,1-4,7-10H2,(H,21,23)
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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)
BDBM68292
PNG
(MLS-0435525.0001 | N-(2-chloranyl-5-morpholin-4-yl...)
Show SMILES Clc1ccc(cc1NC(=O)c1cc2CCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H21ClN2O4S2/c20-15-6-5-14(28(24,25)22-7-9-26-10-8-22)12-16(15)21-19(23)18-11-13-3-1-2-4-17(13)27-18/h5-6,11-12H,1-4,7-10H2,(H,21,23)
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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))
BDBM68292
PNG
(MLS-0435525.0001 | N-(2-chloranyl-5-morpholin-4-yl...)
Show SMILES Clc1ccc(cc1NC(=O)c1cc2CCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H21ClN2O4S2/c20-15-6-5-14(28(24,25)22-7-9-26-10-8-22)12-16(15)21-19(23)18-11-13-3-1-2-4-17(13)27-18/h5-6,11-12H,1-4,7-10H2,(H,21,23)
PDB

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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))
BDBM68292
PNG
(MLS-0435525.0001 | N-(2-chloranyl-5-morpholin-4-yl...)
Show SMILES Clc1ccc(cc1NC(=O)c1cc2CCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H21ClN2O4S2/c20-15-6-5-14(28(24,25)22-7-9-26-10-8-22)12-16(15)21-19(23)18-11-13-3-1-2-4-17(13)27-18/h5-6,11-12H,1-4,7-10H2,(H,21,23)
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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)
BDBM68292
PNG
(MLS-0435525.0001 | N-(2-chloranyl-5-morpholin-4-yl...)
Show SMILES Clc1ccc(cc1NC(=O)c1cc2CCCCc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H21ClN2O4S2/c20-15-6-5-14(28(24,25)22-7-9-26-10-8-22)12-16(15)21-19(23)18-11-13-3-1-2-4-17(13)27-18/h5-6,11-12H,1-4,7-10H2,(H,21,23)
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