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BDBM40645 3-[[2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid methyl ester::3-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester::MLS000088247::SMR000072491::cid_889959::methyl 3-({[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]acetyl}amino)benzoate::methyl 3-[2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate::methyl 3-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate

SMILES: COC(=O)c1cccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)c1

InChI Key: InChIKey=WTFOIHXXPNPGEB-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 40645   
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
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens (Human))
BDBM40645
PNG
(3-[[2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]ace...)
Show SMILES COC(=O)c1cccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)c1
Show InChI InChI=1S/C15H15N3O4S/c1-9-6-12(19)18-15(16-9)23-8-13(20)17-11-5-3-4-10(7-11)14(21)22-2/h3-7H,8H2,1-2H3,(H,17,20)(H,16,18,19)
PDB
MMDB

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PCBioAssay
n/an/a 5.69E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM40645
PNG
(3-[[2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]ace...)
Show SMILES COC(=O)c1cccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)c1
Show InChI InChI=1S/C15H15N3O4S/c1-9-6-12(19)18-15(16-9)23-8-13(20)17-11-5-3-4-10(7-11)14(21)22-2/h3-7H,8H2,1-2H3,(H,17,20)(H,16,18,19)
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n/an/a>5.96E+4n/an/an/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 Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2NZ8631
More data for this
Ligand-Target Pair
leucine aminopeptidase


(Plasmodium falciparum 3D7)
BDBM40645
PNG
(3-[[2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]ace...)
Show SMILES COC(=O)c1cccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)c1
Show InChI InChI=1S/C15H15N3O4S/c1-9-6-12(19)18-15(16-9)23-8-13(20)17-11-5-3-4-10(7-11)14(21)22-2/h3-7H,8H2,1-2H3,(H,17,20)(H,16,18,19)
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Article
PCBioAssay
n/an/a 7.51E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2009)


Article DOI: 10.1016/j.bioorg.2014.02.001
BindingDB Entry DOI: 10.7270/Q27W69N8
More data for this
Ligand-Target Pair