BDBM32730 3-methyl-5-[(3-methyl-1-oxobutyl)amino]thiophene-2,4-dicarboxylic acid dimethyl ester::5-(isovalerylamino)-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester::MLS000533602::SMR000141040::cid_873752::dimethyl 3-methyl-5-(3-methylbutanoylamino)thiophene-2,4-dicarboxylate::dimethyl 3-methyl-5-[(3-methylbutanoyl)amino]-2,4-thiophenedicarboxylate

SMILES COC(=O)c1sc(NC(=O)CC(C)C)c(C(=O)OC)c1C

InChI Key InChIKey=SAHSVHUUNSYLFQ-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 32730   

TargetCoagulation factor XI(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32730(3-methyl-5-[(3-methyl-1-oxobutyl)amino]thiophene-2...)
Affinity DataIC50: >5.00E+4nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCoagulation factor XI(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32730(3-methyl-5-[(3-methyl-1-oxobutyl)amino]thiophene-2...)
Affinity DataIC50: >5.00E+4nMpH: 7.4 T: 2°CAssay Description:Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay