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BDBM87797 2-(dimethylamino)-6-(2-methylpropylamino)-1H-1,3,5-triazine-4-thione::2-(dimethylamino)-6-(isobutylamino)-1H-s-triazine-4-thione::4-(dimethylamino)-6-(isobutylamino)-1,3,5-triazine-2-thiol::MLS000582156::SMR000200689::cid_898985

SMILES: CC(C)CNc1nc(nc(=S)[nH]1)N(C)C

InChI Key: InChIKey=YLZRNRWGAGTTPU-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 87797   
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
MSRA protein


(Bos taurus)
BDBM87797
PNG
(2-(dimethylamino)-6-(2-methylpropylamino)-1H-1,3,5...)
Show SMILES CC(C)CNc1nc(nc(=S)[nH]1)N(C)C
Show InChI InChI=1S/C9H17N5S/c1-6(2)5-10-7-11-8(14(3)4)13-9(15)12-7/h6H,5H2,1-4H3,(H2,10,11,12,13,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>1.04E+5n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair