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BDBM94705 2-[[2-keto-2-(4-methylpiperidino)ethyl]thio]-7-methyl-pyrido[1,2-a][1,3,5]triazin-4-one::7-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrido[1,2-a][1,3,5]triazin-4-one::7-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpyrido[1,2-a][1,3,5]triazin-4-one::7-methyl-2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-4-pyrido[1,2-a][1,3,5]triazinone::MLS001234922::SMR000808696::cid_7256700

SMILES: CC1CCN(CC1)C(=O)CSc1nc2ccc(C)cn2c(=O)n1

InChI Key: InChIKey=SJYVNEXZBVGIOL-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 94705   
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
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM94705
PNG
(2-[[2-keto-2-(4-methylpiperidino)ethyl]thio]-7-met...)
Show SMILES CC1CCN(CC1)C(=O)CSc1nc2ccc(C)cn2c(=O)n1
Show InChI InChI=1S/C16H20N4O2S/c1-11-5-7-19(8-6-11)14(21)10-23-15-17-13-4-3-12(2)9-20(13)16(22)18-15/h3-4,9,11H,5-8,10H2,1-2H3
PDB
MMDB

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PC cid
PC sid
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Similars

PCBioAssay
n/an/a 2.62E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N82
More data for this
Ligand-Target Pair