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BDBM76052 MLS-0226851.0001::N-[4-(diethylsulfamoyl)phenyl]-2-(2-thienyl)cinchoninamide::N-[4-(diethylsulfamoyl)phenyl]-2-thiophen-2-yl-4-quinolinecarboxamide::N-[4-(diethylsulfamoyl)phenyl]-2-thiophen-2-yl-quinoline-4-carboxamide::N-[4-(diethylsulfamoyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide::cid_4803470

SMILES: CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2cccs2)cc1

InChI Key: InChIKey=TWFZHTHMHDVZLD-UHFFFAOYSA-N

Data: 4 IC50  3 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 7 hits for monomerid = 76052   
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))
BDBM76052
PNG
(MLS-0226851.0001 | N-[4-(diethylsulfamoyl)phenyl]-...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2cccs2)cc1
Show InChI InChI=1S/C24H23N3O3S2/c1-3-27(4-2)32(29,30)18-13-11-17(12-14-18)25-24(28)20-16-22(23-10-7-15-31-23)26-21-9-6-5-8-19(20)21/h5-16H,3-4H2,1-2H3,(H,25,28)
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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) Netw...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2348HTX
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM76052
PNG
(MLS-0226851.0001 | N-[4-(diethylsulfamoyl)phenyl]-...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2cccs2)cc1
Show InChI InChI=1S/C24H23N3O3S2/c1-3-27(4-2)32(29,30)18-13-11-17(12-14-18)25-24(28)20-16-22(23-10-7-15-31-23)26-21-9-6-5-8-19(20)21/h5-16H,3-4H2,1-2H3,(H,25,28)
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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/Q2ZC81B1
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM76052
PNG
(MLS-0226851.0001 | N-[4-(diethylsulfamoyl)phenyl]-...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2cccs2)cc1
Show InChI InChI=1S/C24H23N3O3S2/c1-3-27(4-2)32(29,30)18-13-11-17(12-14-18)25-24(28)20-16-22(23-10-7-15-31-23)26-21-9-6-5-8-19(20)21/h5-16H,3-4H2,1-2H3,(H,25,28)
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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) Network...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TM78KV
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))
BDBM76052
PNG
(MLS-0226851.0001 | N-[4-(diethylsulfamoyl)phenyl]-...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2cccs2)cc1
Show InChI InChI=1S/C24H23N3O3S2/c1-3-27(4-2)32(29,30)18-13-11-17(12-14-18)25-24(28)20-16-22(23-10-7-15-31-23)26-21-9-6-5-8-19(20)21/h5-16H,3-4H2,1-2H3,(H,25,28)
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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(SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29K48QH
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM76052
PNG
(MLS-0226851.0001 | N-[4-(diethylsulfamoyl)phenyl]-...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2cccs2)cc1
Show InChI InChI=1S/C24H23N3O3S2/c1-3-27(4-2)32(29,30)18-13-11-17(12-14-18)25-24(28)20-16-22(23-10-7-15-31-23)26-21-9-6-5-8-19(20)21/h5-16H,3-4H2,1-2H3,(H,25,28)
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n/an/a 427n/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) Network...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K35S3P
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM76052
PNG
(MLS-0226851.0001 | N-[4-(diethylsulfamoyl)phenyl]-...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2cccs2)cc1
Show InChI InChI=1S/C24H23N3O3S2/c1-3-27(4-2)32(29,30)18-13-11-17(12-14-18)25-24(28)20-16-22(23-10-7-15-31-23)26-21-9-6-5-8-19(20)21/h5-16H,3-4H2,1-2H3,(H,25,28)
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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 Network: NIH Molecular Libr...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FB51DS
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM76052
PNG
(MLS-0226851.0001 | N-[4-(diethylsulfamoyl)phenyl]-...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2cccs2)cc1
Show InChI InChI=1S/C24H23N3O3S2/c1-3-27(4-2)32(29,30)18-13-11-17(12-14-18)25-24(28)20-16-22(23-10-7-15-31-23)26-21-9-6-5-8-19(20)21/h5-16H,3-4H2,1-2H3,(H,25,28)
KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
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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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PV6HTP
More data for this
Ligand-Target Pair