BDBM50187253 ((3R)-1-(2-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-ylamino)-2-oxoethyl)-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)methyl 4-chloro-2-(trifluoromethyl)phenylcarbamate::((R)-1-(2-((3S)-2-hydroxy-5-oxo-tetrahydrofuran-3-ylamino)-2-oxoethyl)-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)methyl 4-chloro-2-(trifluoromethyl)phenylcarbamate::(4-Chloro-2-trifluoromethylphenyl)-carbamic acid 1-[(2-hydroxy-5-oxo-tetrahydrofuran-3(S)-ylcarbamoyl)-methyl]-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3(R)-ylmethyl ester::CHEMBL378223
SMILES: OC1OC(=O)C[C@@H]1NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1
InChI Key: InChIKey=OERHYLYOHLZSHW-BBCCDPPWSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Falcipain-2 (Plasmodium falciparum) | BDBM50187253 (((3R)-1-(2-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina Curated by ChEMBL | Assay Description Inhibition of Plasmodium falciparum Falcipain-2 after 10 to 15 mins | Eur J Med Chem 45: 3228-33 (2010) Article DOI: 10.1016/j.ejmech.2010.04.003 BindingDB Entry DOI: 10.7270/Q2SN094T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Falcipain-2 (Plasmodium falciparum) | BDBM50187253 (((3R)-1-(2-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina Curated by ChEMBL | Assay Description Inhibition of Plasmodium falciparum recombinant FP2A fused with maltose binding protein | J Med Chem 49: 3064-7 (2006) Article DOI: 10.1021/jm060405f BindingDB Entry DOI: 10.7270/Q2736RQM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Falcipain-2 (Plasmodium falciparum) | BDBM50187253 (((3R)-1-(2-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina Curated by ChEMBL | Assay Description Inhibition of Plasmodium falciparum recombinant falcipain-2 | J Med Chem 51: 988-96 (2008) Article DOI: 10.1021/jm701141u BindingDB Entry DOI: 10.7270/Q2SX6F2M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Falcipain 2B (Plasmodium falciparum) | BDBM50187253 (((3R)-1-(2-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Messina Curated by ChEMBL | Assay Description Inhibition of Plasmodium falciparum recombinant FP2B fused with maltose binding protein | J Med Chem 49: 3064-7 (2006) Article DOI: 10.1021/jm060405f BindingDB Entry DOI: 10.7270/Q2736RQM | |||||||||||
More data for this Ligand-Target Pair |