BDBM21737 2-[(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,40S,43S,49S)-25-(4-aminobutyl)-49-benzyl-4,19-bis[(2S)-butan-2-yl]-34-(3-carbamimidamidopropyl)-28-[(1R)-1-hydroxyethyl]-22-(hydroxymethyl)-3,6,12,18,21,24,27,30,33,36,39,42,48,51-tetradecaoxo-53,54-dithia-2,5,11,17,20,23,26,29,32,35,38,41,47,50-tetradecaazapentacyclo[29.20.4.0^{7,11}.0^{13,17}.0^{43,47}]pentapentacontan-40-yl]acetic acid::CHEMBL453539::Sunflower trypsin inhibitor-1(SFTI-1)::US20240010684, Ref. No 2

SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6]-[#7]-2-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6]-1=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-2)-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#6]-[#6]

InChI Key InChIKey=VEZVTGKCTALENO-UHFFFAOYSA-N

Data  3 KI  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 21737   

TargetMannan-binding lectin serine protease 1(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM21737(2-[(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,40S,43S,4...)
Affinity DataIC50: 3.00E+3nMAssay Description:Recombinant human MASP1 enzyme produced in the HEK 293 cells was diluted in the reaction buffer (50 mM HEPES pH 8,0; 100 mM NaCl; 0,01% CHAPS; 0.5 mM...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2024
Entry Details
Go to US Patent

TargetMannan-binding lectin serine protease 2(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM21737(2-[(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,40S,43S,4...)
Affinity DataIC50: 3.00E+3nMAssay Description:Recombinant human MASP2 enzyme produced in the HEK 293 cells was diluted in the reaction buffer (50 mM HEPES pH 8,0; 100 mM NaCl; 0,01% CHAPS; 0.5 mM...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2024
Entry Details
Go to US Patent

TargetMannan-binding lectin serine protease 1(Rat)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM21737(2-[(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,40S,43S,4...)
Affinity DataIC50: 1.00E+3nMAssay Description:Recombinant rat MASP1 enzyme produced in the HEK 293 cells was diluted in the reaction buffer (50 mM HEPES pH 8,0; 100 mM NaCl; 0,01% CHAPS; 0.5 mM G...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2024
Entry Details
Go to US Patent

TargetMannan-binding lectin serine protease 2(Rat)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM21737(2-[(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,40S,43S,4...)
Affinity DataIC50: 1.00E+3nMAssay Description:Recombinant rat MASP2 enzyme produced in the HEK 293 cells was diluted in the reaction buffer (50 mM HEPES pH 8,0; 100 mM NaCl; 0,01% CHAPS; 0.5 mM G...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/4/2024
Entry Details
Go to US Patent

TargetCathepsin G(Human)
University of Gda£?Sk

Curated by ChEMBL
LigandPNGBDBM21737(2-[(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,40S,43S,4...)
Affinity DataKi:  0.150nMAssay Description:Inhibition of cathepsin GMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetSuppressor of tumorigenicity 14 protein(Human)
Georgetown University Medical Center

LigandPNGBDBM21737(2-[(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,40S,43S,4...)
Affinity DataKi:  100nM ΔG°:  -9.45kcal/molepH: 8.5 T: 2°CAssay Description:The enzyme reaction was initiated by adding fluorescence peptide substrate to reaction mixture containing enzyme and test compounds. The enzyme activ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2008
Entry Details Article
PubMed
TargetProthrombin(Bovine)
Georgetown University Medical Center

LigandPNGBDBM21737(2-[(1R,4S,7S,13S,19S,22S,25S,28S,31R,34S,40S,43S,4...)
Affinity DataKi:  5.00E+3nM ΔG°:  -7.15kcal/molepH: 8.5 T: 2°CAssay Description:The enzyme reaction was initiated by adding fluorescence peptide substrate to reaction mixture containing enzyme and test compounds. The enzyme activ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2008
Entry Details Article
PubMed