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BDBM47780 2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(phenylmethylthio)ethyl]acetamide::2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide::MLS000713394::N-(2-benzylsulfanylethyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)acetamide::N-[2-(benzylthio)ethyl]-2-(N-mesyl-3,5-dimethyl-anilino)acetamide::SMR000272875::cid_2278591

SMILES: Cc1cc(C)cc(c1)N(CC(=O)NCCSCc1ccccc1)S(C)(=O)=O

InChI Key: InChIKey=CLJCBWPAYVIPEL-UHFFFAOYSA-N

Data: 5 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 = 47780   
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
Regulator of G-protein signaling 8


(Homo sapiens (Human))
BDBM47780
PNG
(2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(phe...)
Show SMILES Cc1cc(C)cc(c1)N(CC(=O)NCCSCc1ccccc1)S(C)(=O)=O
Show InChI InChI=1S/C20H26N2O3S2/c1-16-11-17(2)13-19(12-16)22(27(3,24)25)14-20(23)21-9-10-26-15-18-7-5-4-6-8-18/h4-8,11-13H,9-10,14-15H2,1-3H3,(H,21,23)
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n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TM78JD
More data for this
Ligand-Target Pair
RGS7


(Homo sapiens (Human))
BDBM47780
PNG
(2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(phe...)
Show SMILES Cc1cc(C)cc(c1)N(CC(=O)NCCSCc1ccccc1)S(C)(=O)=O
Show InChI InChI=1S/C20H26N2O3S2/c1-16-11-17(2)13-19(12-16)22(27(3,24)25)14-20(23)21-9-10-26-15-18-7-5-4-6-8-18/h4-8,11-13H,9-10,14-15H2,1-3H3,(H,21,23)
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n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PV6HS7
More data for this
Ligand-Target Pair
regulator of G-protein signaling 4


(Homo sapiens (Human))
BDBM47780
PNG
(2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(phe...)
Show SMILES Cc1cc(C)cc(c1)N(CC(=O)NCCSCc1ccccc1)S(C)(=O)=O
Show InChI InChI=1S/C20H26N2O3S2/c1-16-11-17(2)13-19(12-16)22(27(3,24)25)14-20(23)21-9-10-26-15-18-7-5-4-6-8-18/h4-8,11-13H,9-10,14-15H2,1-3H3,(H,21,23)
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n/an/an/an/a 3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2F76B0G
More data for this
Ligand-Target Pair
regulator of G-protein signalling 16


(Homo sapiens (Human))
BDBM47780
PNG
(2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(phe...)
Show SMILES Cc1cc(C)cc(c1)N(CC(=O)NCCSCc1ccccc1)S(C)(=O)=O
Show InChI InChI=1S/C20H26N2O3S2/c1-16-11-17(2)13-19(12-16)22(27(3,24)25)14-20(23)21-9-10-26-15-18-7-5-4-6-8-18/h4-8,11-13H,9-10,14-15H2,1-3H3,(H,21,23)
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n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair
G protein signalling regulator 19


(Homo sapiens (Human))
BDBM47780
PNG
(2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(phe...)
Show SMILES Cc1cc(C)cc(c1)N(CC(=O)NCCSCc1ccccc1)S(C)(=O)=O
Show InChI InChI=1S/C20H26N2O3S2/c1-16-11-17(2)13-19(12-16)22(27(3,24)25)14-20(23)21-9-10-26-15-18-7-5-4-6-8-18/h4-8,11-13H,9-10,14-15H2,1-3H3,(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2K35S27
More data for this
Ligand-Target Pair