BDBM16174 3-[3-(4-beta-alanylpiperazin-1-yl)-3-oxo-2-({[2,4,6-tris(1-methylethyl)phenyl]sulfonyl}amino)propyl]benzenecarboximidamide::3-{3-[4-(3-aminopropanoyl)piperazin-1-yl]-3-oxo-2-{[2,4,6-tris(propan-2-yl)benzene]sulfonamido}propyl}benzene-1-carboximidamide::UKI-1D

SMILES CC(C)c1cc(c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc2cccc(c2)C(=N)N)C(=O)N3CCN(CC3)C(=O)CCN)C(C)C

InChI Key InChIKey=WATXEHGLYJKXOF-UHFFFAOYSA-N

Data  3 KI

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 16174   

TargetSerine protease 1(Bovine)
Max-Planck-Institut Fuer Biochemie

LigandPNGBDBM16174(3-[3-(4-beta-alanylpiperazin-1-yl)-3-oxo-2-({[2,4,...)
Affinity DataKi:  600nM ΔG°:  -8.48kcal/molepH: 8.0 T: 2°CAssay Description:The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used in t...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2007
Entry Details Article
PubMed
TargetUrokinase-type plasminogen activator(Human)
Max-Planck-Institut Fuer Biochemie

LigandPNGBDBM16174(3-[3-(4-beta-alanylpiperazin-1-yl)-3-oxo-2-({[2,4,...)
Affinity DataKi:  640nM ΔG°:  -8.44kcal/molepH: 8.0 T: 2°CAssay Description:The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used in t...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTissue-type plasminogen activator(Human)
Max-Planck-Institut Fuer Biochemie

LigandPNGBDBM16174(3-[3-(4-beta-alanylpiperazin-1-yl)-3-oxo-2-({[2,4,...)
Affinity DataKi:  8.70E+3nM ΔG°:  -6.90kcal/molepH: 8.0 T: 2°CAssay Description:The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used in t...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2007
Entry Details Article
PubMed