BindingDB logo
myBDB logout

BDBM75025 4-[4-(dimethylamino)phenyl]-1-methyl-2-(methylthio)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile::4-[4-(dimethylamino)phenyl]-1-methyl-2-(methylthio)-6-oxo-5-pyrimidinecarbonitrile::4-[4-(dimethylamino)phenyl]-1-methyl-2-methylsulfanyl-6-oxidanylidene-pyrimidine-5-carbonitrile::4-[4-(dimethylamino)phenyl]-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carbonitrile::4-[4-(dimethylamino)phenyl]-6-keto-1-methyl-2-(methylthio)pyrimidine-5-carbonitrile::MLS000766800::SMR000339696::cid_694212

SMILES: CSc1nc(-c2ccc(cc2)N(C)C)c(C#N)c(=O)n1C

InChI Key: InChIKey=YWJYAWQVXOGURC-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 75025   
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
Importin subunit alpha-1


(Homo sapiens (Human))
BDBM75025
PNG
(4-[4-(dimethylamino)phenyl]-1-methyl-2-(methylthio...)
Show SMILES CSc1nc(-c2ccc(cc2)N(C)C)c(C#N)c(=O)n1C
Show InChI InChI=1S/C15H16N4OS/c1-18(2)11-7-5-10(6-8-11)13-12(9-16)14(20)19(3)15(17-13)21-4/h5-8H,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 9.42E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q280513R
More data for this
Ligand-Target Pair
Corticotropin-releasing factor-binding protein


(Homo sapiens (Human))
BDBM75025
PNG
(4-[4-(dimethylamino)phenyl]-1-methyl-2-(methylthio...)
Show SMILES CSc1nc(-c2ccc(cc2)N(C)C)c(C#N)c(=O)n1C
Show InChI InChI=1S/C15H16N4OS/c1-18(2)11-7-5-10(6-8-11)13-12(9-16)14(20)19(3)15(17-13)21-4/h5-8H,1-4H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 7.08E+3n/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 (2012)


BindingDB Entry DOI: 10.7270/Q2VX0F3D
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)
BDBM75025
PNG
(4-[4-(dimethylamino)phenyl]-1-methyl-2-(methylthio...)
Show SMILES CSc1nc(-c2ccc(cc2)N(C)C)c(C#N)c(=O)n1C
Show InChI InChI=1S/C15H16N4OS/c1-18(2)11-7-5-10(6-8-11)13-12(9-16)14(20)19(3)15(17-13)21-4/h5-8H,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>9.90E+4n/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 (2011)


BindingDB Entry DOI: 10.7270/Q2Z31X54
More data for this
Ligand-Target Pair
Endoribonuclease toxin MazF


(Escherichia coli str. K-12 substr. MG1655)
BDBM75025
PNG
(4-[4-(dimethylamino)phenyl]-1-methyl-2-(methylthio...)
Show SMILES CSc1nc(-c2ccc(cc2)N(C)C)c(C#N)c(=O)n1C
Show InChI InChI=1S/C15H16N4OS/c1-18(2)11-7-5-10(6-8-11)13-12(9-16)14(20)19(3)15(17-13)21-4/h5-8H,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>9.90E+4n/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 (2011)


BindingDB Entry DOI: 10.7270/Q2TB15DB
More data for this
Ligand-Target Pair