BDBM50257018 (E)-methyl4-(2-((R,Z)-3-((4-chloro-2-(trifluoromethyl)phenylcarbamoyloxy)methyl)-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-1-yl)acetamido)but-2-enoate::4-{2-[3-(4-Chloro-2-trifluoromethyl-phenylcarbamoyloxymethyl) (3R)-2-oxo-5-phenyl-2,3-dihydro-benzo[e][1,4]diazepin-1-yl]-acetylamino}-but-2-enoic acid methyl ester::CHEMBL501901
SMILES: COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1
InChI Key: InChIKey=WFLUSHRKBAULOF-KGUVVTLUSA-N
Data: 6 KI
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) | BDBM50257018 ((E)-methyl4-(2-((R,Z)-3-((4-chloro-2-(trifluoromet...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina Curated by ChEMBL | Assay Description Inhibition of Plasmodium falciparum recombinant falcipain-2 after 10 min | Bioorg Med Chem 18: 4928-38 (2010) Article DOI: 10.1016/j.bmc.2010.06.010 BindingDB Entry DOI: 10.7270/Q2NK3G1R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rhodesain (Trypanosoma brucei rhodesiense) | BDBM50257018 ((E)-methyl4-(2-((R,Z)-3-((4-chloro-2-(trifluoromet...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina Curated by ChEMBL | Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain after 10 mins | Bioorg Med Chem 18: 4928-38 (2010) Article DOI: 10.1016/j.bmc.2010.06.010 BindingDB Entry DOI: 10.7270/Q2NK3G1R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM50257018 ((E)-methyl4-(2-((R,Z)-3-((4-chloro-2-(trifluoromet...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7.30E+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 cathepsin B (unknown origin) | J Med Chem 52: 2157-60 (2009) Article DOI: 10.1021/jm900047j BindingDB Entry DOI: 10.7270/Q2BG2NX8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM50257018 ((E)-methyl4-(2-((R,Z)-3-((4-chloro-2-(trifluoromet...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina Curated by ChEMBL | Assay Description Inhibition of human cathepsin B | Bioorg Med Chem 18: 4928-38 (2010) Article DOI: 10.1016/j.bmc.2010.06.010 BindingDB Entry DOI: 10.7270/Q2NK3G1R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM50257018 ((E)-methyl4-(2-((R,Z)-3-((4-chloro-2-(trifluoromet...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.40E+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 cathepsin L (unknown origin) | J Med Chem 52: 2157-60 (2009) Article DOI: 10.1021/jm900047j BindingDB Entry DOI: 10.7270/Q2BG2NX8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM50257018 ((E)-methyl4-(2-((R,Z)-3-((4-chloro-2-(trifluoromet...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Messina Curated by ChEMBL | Assay Description Inhibition of human cathepsin L | Bioorg Med Chem 18: 4928-38 (2010) Article DOI: 10.1016/j.bmc.2010.06.010 BindingDB Entry DOI: 10.7270/Q2NK3G1R | |||||||||||
More data for this Ligand-Target Pair |