BDBM50076285 1-Acetyl-piperidine-4-carboxylic acid (2-benzo[1,3]dioxol-5-yl-ethyl)-{(2S,3S)-3-[2-(3-chloro-phenylamino)-acetylamino]-2-hydroxy-4-phenyl-butyl}-amide::CHEMBL34323
SMILES: CC(=O)N1CCC(CC1)C(=O)N(CCc1ccc2OCOc2c1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)CNc1cccc(Cl)c1
InChI Key: InChIKey=QYNGMKLMUCFWOW-CONSDPRKSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cathepsin D (Homo sapiens (Human)) | BDBM50076285 (1-Acetyl-piperidine-4-carboxylic acid (2-benzo[1,3...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 1.30 | 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 | |||||||||||||
Plasmepsin 2 (Plasmodium falciparum) | BDBM50076285 (1-Acetyl-piperidine-4-carboxylic acid (2-benzo[1,3...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | 3 | 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 | 3D Structure (docked) |