BDBM12042 (2R,3R)-3-{[(1S)-1-[(4-carbamimidamidobutyl)carbamoyl]-3-methylbutyl]carbamoyl}oxirane-2-carboxylic acid::E-64::L-trans-3-Carboxyoxiran-2-carbonyl-L-leucylagmatine::N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE::trans-Epoxysuccinyl-L-leucylamido(4-guanidino)butane

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

InChI Key InChIKey=LTLYEAJONXGNFG-HBNTYKKESA-N

Data  1 KI  7 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 8 hits for monomerid = 12042   

TargetCathepsin K(Homo sapiens (Human))
Msd Animal Health Innovation

Curated by ChEMBL
LigandPNGBDBM12042((2R,3R)-3-{[(1S)-1-[(4-carbamimidamidobutyl)carbam...)
Affinity DataKi:  1.40nMAssay Description:Inhibition of human cathepsin K by gelatin zymographic analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCysteine proteinase falcipain 2a(Plasmodium falciparum)
East China University Of Science And Technology

Curated by ChEMBL
LigandPNGBDBM12042((2R,3R)-3-{[(1S)-1-[(4-carbamimidamidobutyl)carbam...)
Affinity DataIC50:  5.72E+4nMAssay Description:Inhibition of Plasmodium falciparum FP2 using Z-Leu-Arg-AMC as substrate preincubated for 30 min followed by substrate addition measured after 30 min...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCysteine protease(Trypanosoma brucei rhodesiense)
Federal University Of Minas Gerais (Ufmg)

Curated by ChEMBL
LigandPNGBDBM12042((2R,3R)-3-{[(1S)-1-[(4-carbamimidamidobutyl)carbam...)
Affinity DataIC50:  3.70nMAssay Description:Inhibition of recombinant Trypanosoma brucei rhodesiense MVAT4 rhodesain expressed in Pichia pastoris using Z-FR-AMC as substrate by fluorometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCysteine proteinase falcipain 3(Plasmodium falciparum)
The University Of Sydney

Curated by ChEMBL
LigandPNGBDBM12042((2R,3R)-3-{[(1S)-1-[(4-carbamimidamidobutyl)carbam...)
Affinity DataIC50:  136nMAssay Description:Inhibition of Plasmodium falciparum N-terminal His-tagged falcipain-3 (33 residues) expressed in Escherichia coli M15 pREP4 using Z-Leu-Arg-AMC as su...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFalcipain 2(Plasmodium falciparum)
The University Of Sydney

Curated by ChEMBL
LigandPNGBDBM12042((2R,3R)-3-{[(1S)-1-[(4-carbamimidamidobutyl)carbam...)
Affinity DataIC50:  68nMAssay Description:Inhibition of Plasmodium falciparum N-terminal His6-tagged falcipain-2 (35 residues) expressed in Escherichia coli M15 pREP4 using Z-Lue-Arg-AMC as s...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCruzipain(Trypanosoma cruzi)
Federal University Of Minas Gerais (Ufmg)

Curated by ChEMBL
LigandPNGBDBM12042((2R,3R)-3-{[(1S)-1-[(4-carbamimidamidobutyl)carbam...)
Affinity DataIC50:  28nMAssay Description:Inhibition of recombinant Trypanosoma cruzi cruzain using Z-FR-AMC as substrate by fluorometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFalcipain-2(Plasmodium falciparum)
Universidad Central De Venezuela

LigandPNGBDBM12042((2R,3R)-3-{[(1S)-1-[(4-carbamimidamidobutyl)carbam...)
Affinity DataIC50:  58nMpH: 5.5 T: 2°CAssay Description:The substrate peptide terminating in AMC is processed by falcipain-2 with or without inhibitors, and the accumulation of AMC was monitored in a Labsy...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCruzipain(Trypanosoma cruzi)
Federal University Of Minas Gerais (Ufmg)

Curated by ChEMBL
LigandPNGBDBM12042((2R,3R)-3-{[(1S)-1-[(4-carbamimidamidobutyl)carbam...)
Affinity DataIC50:  3.00E+3nMAssay Description:Irreversible inhibition of Trypanosoma cruzi cruzipainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed