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BDBM47722 5-cyano-4-ethyl-2-methyl-N-phenyl-6-sulfanylidene-1H-pyridine-3-carboxamide::5-cyano-4-ethyl-2-methyl-N-phenyl-6-thioxo-1,6-dihydro-3-pyridinecarboxamide::5-cyano-4-ethyl-2-methyl-N-phenyl-6-thioxo-1H-pyridine-3-carboxamide::MLS000532290::SMR000137229::cid_789551

SMILES: CCc1c(C#N)c(=S)[nH]c(C)c1C(=O)Nc1ccccc1

InChI Key: InChIKey=OSNSDJPSYZZTGM-UHFFFAOYSA-N

Data: 4 IC50  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 9 hits for monomerid = 47722   
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
RGS7


(Homo sapiens (Human))
BDBM47722
PNG
(5-cyano-4-ethyl-2-methyl-N-phenyl-6-sulfanylidene-...)
Show SMILES CCc1c(C#N)c(=S)[nH]c(C)c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C16H15N3OS/c1-3-12-13(9-17)16(21)18-10(2)14(12)15(20)19-11-7-5-4-6-8-11/h4-8H,3H2,1-2H3,(H,18,21)(H,19,20)
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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
G protein signalling regulator 19


(Homo sapiens (Human))
BDBM47722
PNG
(5-cyano-4-ethyl-2-methyl-N-phenyl-6-sulfanylidene-...)
Show SMILES CCc1c(C#N)c(=S)[nH]c(C)c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C16H15N3OS/c1-3-12-13(9-17)16(21)18-10(2)14(12)15(20)19-11-7-5-4-6-8-11/h4-8H,3H2,1-2H3,(H,18,21)(H,19,20)
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n/an/an/an/a 1.12E+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
regulator of G-protein signalling 16


(Homo sapiens (Human))
BDBM47722
PNG
(5-cyano-4-ethyl-2-methyl-N-phenyl-6-sulfanylidene-...)
Show SMILES CCc1c(C#N)c(=S)[nH]c(C)c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C16H15N3OS/c1-3-12-13(9-17)16(21)18-10(2)14(12)15(20)19-11-7-5-4-6-8-11/h4-8H,3H2,1-2H3,(H,18,21)(H,19,20)
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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
Regulator of G-protein signaling 8


(Homo sapiens (Human))
BDBM47722
PNG
(5-cyano-4-ethyl-2-methyl-N-phenyl-6-sulfanylidene-...)
Show SMILES CCc1c(C#N)c(=S)[nH]c(C)c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C16H15N3OS/c1-3-12-13(9-17)16(21)18-10(2)14(12)15(20)19-11-7-5-4-6-8-11/h4-8H,3H2,1-2H3,(H,18,21)(H,19,20)
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n/an/an/an/a 9.51E+3n/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
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM47722
PNG
(5-cyano-4-ethyl-2-methyl-N-phenyl-6-sulfanylidene-...)
Show SMILES CCc1c(C#N)c(=S)[nH]c(C)c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C16H15N3OS/c1-3-12-13(9-17)16(21)18-10(2)14(12)15(20)19-11-7-5-4-6-8-11/h4-8H,3H2,1-2H3,(H,18,21)(H,19,20)
UniProtKB/TrEMBL

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UniChem
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n/an/a>8.00E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q23T9FQ1
More data for this
Ligand-Target Pair
Glucose 6-phosphate dehydrogenase (G6PD)


(Homo sapiens (Human))
BDBM47722
PNG
(5-cyano-4-ethyl-2-methyl-N-phenyl-6-sulfanylidene-...)
Show SMILES CCc1c(C#N)c(=S)[nH]c(C)c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C16H15N3OS/c1-3-12-13(9-17)16(21)18-10(2)14(12)15(20)19-11-7-5-4-6-8-11/h4-8H,3H2,1-2H3,(H,18,21)(H,19,20)
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n/an/a>8.00E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2V12389
More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM47722
PNG
(5-cyano-4-ethyl-2-methyl-N-phenyl-6-sulfanylidene-...)
Show SMILES CCc1c(C#N)c(=S)[nH]c(C)c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C16H15N3OS/c1-3-12-13(9-17)16(21)18-10(2)14(12)15(20)19-11-7-5-4-6-8-11/h4-8H,3H2,1-2H3,(H,18,21)(H,19,20)
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n/an/a 3.34E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2ZS2TZG
More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM47722
PNG
(5-cyano-4-ethyl-2-methyl-N-phenyl-6-sulfanylidene-...)
Show SMILES CCc1c(C#N)c(=S)[nH]c(C)c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C16H15N3OS/c1-3-12-13(9-17)16(21)18-10(2)14(12)15(20)19-11-7-5-4-6-8-11/h4-8H,3H2,1-2H3,(H,18,21)(H,19,20)
UniProtKB/TrEMBL

GoogleScholar
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PC cid
PC sid
UniChem
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n/an/a>8.00E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q27H1H3W
More data for this
Ligand-Target Pair
regulator of G-protein signaling 4


(Homo sapiens (Human))
BDBM47722
PNG
(5-cyano-4-ethyl-2-methyl-N-phenyl-6-sulfanylidene-...)
Show SMILES CCc1c(C#N)c(=S)[nH]c(C)c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C16H15N3OS/c1-3-12-13(9-17)16(21)18-10(2)14(12)15(20)19-11-7-5-4-6-8-11/h4-8H,3H2,1-2H3,(H,18,21)(H,19,20)
PDB

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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