BDBM45328 4-[(E)-[2-(2,3-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4,5-diketo-pyrrolidin-3-ylidene]-hydroxy-methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid methyl ester::4-[(E)-[2-(2,3-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4,5-dioxo-3-pyrrolidinylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid methyl ester::MLS000081296::SMR000044158::cid_5389709::methyl 4-[(E)-[2-(2,3-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-oxidanyl-methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate::methyl 4-[(E)-[2-(2,3-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

SMILES COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)C2c2cccc(OC)c2OC)c1C

InChI Key InChIKey=ILENMLMCJPDQJM-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 = 45328   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45328BDBM45328(cid_5389709 | methyl 4-[(E)-[2-(2,3-dimethoxypheny...)
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
TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45328BDBM45328(cid_5389709 | methyl 4-[(E)-[2-(2,3-dimethoxypheny...)
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