BDBM50322349 (R)-Methyl4-(2-(3-((adamantan-1-ylcarbamoyloxy)methyl)-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-1-yl)acetamido)but-2-enoate::CHEMBL1171802
SMILES: COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)NC23CC4CC(CC(C4)C2)C3)C1=O)c1ccccc1
InChI Key: InChIKey=YCXHYWRDMLPORG-ONMBADGRSA-N
Data: 5 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Rhodesain (Trypanosoma brucei rhodesiense) | BDBM50322349 ((R)-Methyl4-(2-(3-((adamantan-1-ylcarbamoyloxy)met...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.60 | 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 Trypanosoma brucei rhodesiense rhodesain | Bioorg Med Chem Lett 26: 3453-6 (2016) BindingDB Entry DOI: 10.7270/Q26D5VXZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rhodesain (Trypanosoma brucei rhodesiense) | BDBM50322349 ((R)-Methyl4-(2-(3-((adamantan-1-ylcarbamoyloxy)met...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.60 | 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 | |||||||||||||
Falcipain-2 (Plasmodium falciparum) | BDBM50322349 ((R)-Methyl4-(2-(3-((adamantan-1-ylcarbamoyloxy)met...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 14 | 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 | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM50322349 ((R)-Methyl4-(2-(3-((adamantan-1-ylcarbamoyloxy)met...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.37E+4 | 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)) | BDBM50322349 ((R)-Methyl4-(2-(3-((adamantan-1-ylcarbamoyloxy)met...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.50E+4 | 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 |