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BDBM48549 3-(4-methoxyphenyl)-6-oxidanylidene-8-thiophen-2-yl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile::3-(4-methoxyphenyl)-6-oxo-8-thiophen-2-yl-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile::6-keto-3-(4-methoxyphenyl)-8-(2-thienyl)-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile::MLS000080652::SMR000035441::cid_667173

SMILES: COc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccs1

InChI Key: InChIKey=XFMAVVIPHIDUBH-UHFFFAOYSA-N

Data: 5 IC50

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 = 48549   
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
eukaryotic translation initiation factor 4 gamma, 1 isoform 4


(Homo sapiens (Human))
BDBM48549
PNG
(3-(4-methoxyphenyl)-6-oxidanylidene-8-thiophen-2-y...)
Show SMILES COc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccs1 |c:12|
Show InChI InChI=1S/C19H17N3O2S2/c1-24-14-6-4-13(5-7-14)21-11-22-18(23)9-15(17-3-2-8-25-17)16(10-20)19(22)26-12-21/h2-8,15H,9,11-12H2,1H3
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n/an/a 6.40E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2RN3686
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM48549
PNG
(3-(4-methoxyphenyl)-6-oxidanylidene-8-thiophen-2-y...)
Show SMILES COc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccs1 |c:12|
Show InChI InChI=1S/C19H17N3O2S2/c1-24-14-6-4-13(5-7-14)21-11-22-18(23)9-15(17-3-2-8-25-17)16(10-20)19(22)26-12-21/h2-8,15H,9,11-12H2,1H3
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n/an/a 8.68E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM48549
PNG
(3-(4-methoxyphenyl)-6-oxidanylidene-8-thiophen-2-y...)
Show SMILES COc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccs1 |c:12|
Show InChI InChI=1S/C19H17N3O2S2/c1-24-14-6-4-13(5-7-14)21-11-22-18(23)9-15(17-3-2-8-25-17)16(10-20)19(22)26-12-21/h2-8,15H,9,11-12H2,1H3
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n/an/a 7.41E+4n/an/an/an/an/a25



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 (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM48549
PNG
(3-(4-methoxyphenyl)-6-oxidanylidene-8-thiophen-2-y...)
Show SMILES COc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccs1 |c:12|
Show InChI InChI=1S/C19H17N3O2S2/c1-24-14-6-4-13(5-7-14)21-11-22-18(23)9-15(17-3-2-8-25-17)16(10-20)19(22)26-12-21/h2-8,15H,9,11-12H2,1H3
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n/an/a 5.60E+3n/an/an/an/an/a25



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 (2011)


BindingDB Entry DOI: 10.7270/Q2HQ3XD6
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM48549
PNG
(3-(4-methoxyphenyl)-6-oxidanylidene-8-thiophen-2-y...)
Show SMILES COc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccs1 |c:12|
Show InChI InChI=1S/C19H17N3O2S2/c1-24-14-6-4-13(5-7-14)21-11-22-18(23)9-15(17-3-2-8-25-17)16(10-20)19(22)26-12-21/h2-8,15H,9,11-12H2,1H3
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n/an/a 1.07E+4n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair