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BDBM44372 2-(dichloromethyl)-4-(4-methylphenyl)-6-(methylthio)-1,3,5-triazine::2-(dichloromethyl)-4-(4-methylphenyl)-6-methylsulfanyl-1,3,5-triazine::2-(dichloromethyl)-4-(methylthio)-6-(p-tolyl)-s-triazine::2-[bis(chloranyl)methyl]-4-(4-methylphenyl)-6-methylsulfanyl-1,3,5-triazine::ML100::MLS-0092727.0002::cid_3380841

SMILES: CSc1nc(nc(n1)-c1ccc(C)cc1)C(Cl)Cl

InChI Key: InChIKey=VRYFPFHGCPTRHR-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 = 44372   
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
Tumor necrosis factor ligand superfamily member 10


(Homo sapiens (Human))
BDBM44372
PNG
(2-(dichloromethyl)-4-(4-methylphenyl)-6-(methylthi...)
Show SMILES CSc1nc(nc(n1)-c1ccc(C)cc1)C(Cl)Cl
Show InChI InChI=1S/C12H11Cl2N3S/c1-7-3-5-8(6-4-7)10-15-11(9(13)14)17-12(16-10)18-2/h3-6,9H,1-2H3
PDB
MMDB

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n/an/a 372n/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 (2009)


BindingDB Entry DOI: 10.7270/Q2639N51
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 10


(Homo sapiens (Human))
BDBM44372
PNG
(2-(dichloromethyl)-4-(4-methylphenyl)-6-(methylthi...)
Show SMILES CSc1nc(nc(n1)-c1ccc(C)cc1)C(Cl)Cl
Show InChI InChI=1S/C12H11Cl2N3S/c1-7-3-5-8(6-4-7)10-15-11(9(13)14)17-12(16-10)18-2/h3-6,9H,1-2H3
PDB
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n/an/a 602n/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 (2009)


BindingDB Entry DOI: 10.7270/Q2639N51
More data for this
Ligand-Target Pair
phosphomannomutase 2


(Homo sapiens (Human))
BDBM44372
PNG
(2-(dichloromethyl)-4-(4-methylphenyl)-6-(methylthi...)
Show SMILES CSc1nc(nc(n1)-c1ccc(C)cc1)C(Cl)Cl
Show InChI InChI=1S/C12H11Cl2N3S/c1-7-3-5-8(6-4-7)10-15-11(9(13)14)17-12(16-10)18-2/h3-6,9H,1-2H3
PDB
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n/an/a>1.00E+5n/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/Q2CJ8BWC
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 10


(Homo sapiens (Human))
BDBM44372
PNG
(2-(dichloromethyl)-4-(4-methylphenyl)-6-(methylthi...)
Show SMILES CSc1nc(nc(n1)-c1ccc(C)cc1)C(Cl)Cl
Show InChI InChI=1S/C12H11Cl2N3S/c1-7-3-5-8(6-4-7)10-15-11(9(13)14)17-12(16-10)18-2/h3-6,9H,1-2H3
PDB
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n/an/a 3.27E+3n/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 (2009)


BindingDB Entry DOI: 10.7270/Q22F7KT5
More data for this
Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 10


(Homo sapiens (Human))
BDBM44372
PNG
(2-(dichloromethyl)-4-(4-methylphenyl)-6-(methylthi...)
Show SMILES CSc1nc(nc(n1)-c1ccc(C)cc1)C(Cl)Cl
Show InChI InChI=1S/C12H11Cl2N3S/c1-7-3-5-8(6-4-7)10-15-11(9(13)14)17-12(16-10)18-2/h3-6,9H,1-2H3
PDB
MMDB

Reactome pathway
KEGG

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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 4.81E+3n/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 (2009)


BindingDB Entry DOI: 10.7270/Q22F7KT5
More data for this
Ligand-Target Pair