BDBM50076292 1-Methyl-piperidine-4-carboxylic acid {(2S,3S)-3-[2-(3-chloro-phenoxy)-acetylamino]-2-hydroxy-4-phenyl-butyl}-[2-(4-methoxy-phenyl)-ethyl]-amide::CHEMBL285177
SMILES: COc1ccc(CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)COc2cccc(Cl)c2)C(=O)C2CCN(C)CC2)cc1
InChI Key: InChIKey=LWVIQLICDZHOEY-ACHIHNKUSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Plasmepsin 2 (Plasmodium falciparum) | BDBM50076292 (1-Methyl-piperidine-4-carboxylic acid {(2S,3S)-3-[...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibitory activity against Plasmepsin 2 | J Med Chem 42: 1428-40 (1999) Article DOI: 10.1021/jm980641t BindingDB Entry DOI: 10.7270/Q2MS3RZX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM50076292 (1-Methyl-piperidine-4-carboxylic acid {(2S,3S)-3-[...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Compound was tested for the inhibitory activity against human liver cathepsin D | J Med Chem 42: 1428-40 (1999) Article DOI: 10.1021/jm980641t BindingDB Entry DOI: 10.7270/Q2MS3RZX | |||||||||||
More data for this Ligand-Target Pair |