BDBM33015 2-[(5-methylthiophene-2-carbonyl)amino]acetic acid [2-keto-1-methyl-2-(4-morpholinoanilino)ethyl] ester::2-[[(5-methyl-2-thiophenyl)-oxomethyl]amino]acetic acid [1-[4-(4-morpholinyl)anilino]-1-oxopropan-2-yl] ester::MLS001005197::SMR000378055::[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate::[1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(5-methylthiophen-2-yl)carbonylamino]ethanoate::cid_4876113

SMILES CC(OC(=O)CNC(=O)c1ccc(C)s1)C(=O)Nc1ccc(cc1)N1CCOCC1

InChI Key InChIKey=KSUFKQATAFTZBP-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 33015   

TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 33015BDBM33015([1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 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 Depth
Date in BDB:
6/8/2011
Entry Details
PCBioAssay
TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 33015BDBM33015([1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 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 Depth
Date in BDB:
5/27/2011
Entry Details
PCBioAssay
TargetCoagulation factor XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 33015BDBM33015([1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 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 Depth
Date in BDB:
10/26/2009
Entry Details
PCBioAssay