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BDBM68315 MLS-0435541.0001::N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide::N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide::N-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide::N-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide::cid_17460708

SMILES: O=C(Nc1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1)c1cc2CCCCc2s1

InChI Key: InChIKey=PODUXAQFLMUPKS-UHFFFAOYSA-N

Data: 4 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 6 hits for monomerid = 68315   
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))
BDBM68315
PNG
(MLS-0435541.0001 | N-(5-morpholin-4-ylsulfonyl-2-p...)
Show SMILES O=C(Nc1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1)c1cc2CCCCc2s1
Show InChI InChI=1S/C23H29N3O4S2/c27-23(22-15-17-5-1-2-6-21(17)31-22)24-19-16-18(7-8-20(19)25-9-3-4-10-25)32(28,29)26-11-13-30-14-12-26/h7-8,15-16H,1-6,9-14H2,(H,24,27)
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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)
BDBM68315
PNG
(MLS-0435541.0001 | N-(5-morpholin-4-ylsulfonyl-2-p...)
Show SMILES O=C(Nc1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1)c1cc2CCCCc2s1
Show InChI InChI=1S/C23H29N3O4S2/c27-23(22-15-17-5-1-2-6-21(17)31-22)24-19-16-18(7-8-20(19)25-9-3-4-10-25)32(28,29)26-11-13-30-14-12-26/h7-8,15-16H,1-6,9-14H2,(H,24,27)
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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
Prion protein


(Homo sapiens)
BDBM68315
PNG
(MLS-0435541.0001 | N-(5-morpholin-4-ylsulfonyl-2-p...)
Show SMILES O=C(Nc1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1)c1cc2CCCCc2s1
Show InChI InChI=1S/C23H29N3O4S2/c27-23(22-15-17-5-1-2-6-21(17)31-22)24-19-16-18(7-8-20(19)25-9-3-4-10-25)32(28,29)26-11-13-30-14-12-26/h7-8,15-16H,1-6,9-14H2,(H,24,27)
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n/an/a 5.47E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2HM573M
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (human))
BDBM68315
PNG
(MLS-0435541.0001 | N-(5-morpholin-4-ylsulfonyl-2-p...)
Show SMILES O=C(Nc1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1)c1cc2CCCCc2s1
Show InChI InChI=1S/C23H29N3O4S2/c27-23(22-15-17-5-1-2-6-21(17)31-22)24-19-16-18(7-8-20(19)25-9-3-4-10-25)32(28,29)26-11-13-30-14-12-26/h7-8,15-16H,1-6,9-14H2,(H,24,27)
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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
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM68315
PNG
(MLS-0435541.0001 | N-(5-morpholin-4-ylsulfonyl-2-p...)
Show SMILES O=C(Nc1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1)c1cc2CCCCc2s1
Show InChI InChI=1S/C23H29N3O4S2/c27-23(22-15-17-5-1-2-6-21(17)31-22)24-19-16-18(7-8-20(19)25-9-3-4-10-25)32(28,29)26-11-13-30-14-12-26/h7-8,15-16H,1-6,9-14H2,(H,24,27)
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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
G-protein coupled receptor 35


(Homo sapiens)
BDBM68315
PNG
(MLS-0435541.0001 | N-(5-morpholin-4-ylsulfonyl-2-p...)
Show SMILES O=C(Nc1cc(ccc1N1CCCC1)S(=O)(=O)N1CCOCC1)c1cc2CCCCc2s1
Show InChI InChI=1S/C23H29N3O4S2/c27-23(22-15-17-5-1-2-6-21(17)31-22)24-19-16-18(7-8-20(19)25-9-3-4-10-25)32(28,29)26-11-13-30-14-12-26/h7-8,15-16H,1-6,9-14H2,(H,24,27)
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UniChem

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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/Q24B2ZRH
More data for this
Ligand-Target Pair