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=VHDAHAMWVNXMSP-UHFFFAOYSA-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   

TargetFalcipain-2(malaria parasite P. falciparum)
Universidad Central De Venezuela

LigandPNGBDBM12042(L-trans-3-Carboxyoxiran-2-carbonyl-L-leucylagmatin...)
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 Depth
Date in BDB:
11/26/2006
Entry Details Article
PubMed
TargetCysteine proteinase falcipain 2a(malaria parasite P. falciparum)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM12042(L-trans-3-Carboxyoxiran-2-carbonyl-L-leucylagmatin...)
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 Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCruzipain(Trypanosoma cruzi)
Instituto Oswaldo Cruz

Curated by ChEMBL
LigandPNGBDBM12042(L-trans-3-Carboxyoxiran-2-carbonyl-L-leucylagmatin...)
Affinity DataIC50: 3.00E+3nMAssay Description:Irreversible inhibition of Trypanosoma cruzi cruzipainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetCysteine proteinase falcipain 3(Plasmodium falciparum (isolate 3D7))
The University of Sydney

Curated by ChEMBL
LigandPNGBDBM12042(L-trans-3-Carboxyoxiran-2-carbonyl-L-leucylagmatin...)
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 Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetFalcipain 2(malaria parasite P. falciparum)
The University of Sydney

Curated by ChEMBL
LigandPNGBDBM12042(L-trans-3-Carboxyoxiran-2-carbonyl-L-leucylagmatin...)
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 Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetCruzipain(Trypanosoma cruzi)
Instituto Oswaldo Cruz

Curated by ChEMBL
LigandPNGBDBM12042(L-trans-3-Carboxyoxiran-2-carbonyl-L-leucylagmatin...)
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 Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetCysteine protease(Trypanosoma brucei rhodesiense)
Federal University of Minas Gerais (Ufmg)

Curated by ChEMBL
LigandPNGBDBM12042(L-trans-3-Carboxyoxiran-2-carbonyl-L-leucylagmatin...)
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 Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetCathepsin K(Human)
Msd Animal Health Innovation

Curated by ChEMBL
LigandPNGBDBM12042(L-trans-3-Carboxyoxiran-2-carbonyl-L-leucylagmatin...)
Affinity DataKi:  1.40nMAssay Description:Inhibition of human cathepsin K by gelatin zymographic analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed