BDBM50071556 CHEMBL74943::N-[(1S,2S)-1-(1-Benzyl-3-butylcarbamoyl-2-hydroxy-propylcarbamoyl)-2-methyl-butyl]-4-pyrrolidin-1-ylmethyl-benzamide::PS-444035
SMILES: CCCCNC(=O)CC(O)C(Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc(CN2CCCC2)cc1)[C@@H](C)CC
InChI Key: InChIKey=XZUGYLKCDURJSJ-GBIMTFRJSA-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 |
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Plasmepsin 2 (Plasmodium falciparum) | BDBM50071556![]() (CHEMBL74943 | N-[(1S,2S)-1-(1-Benzyl-3-butylcarbam...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc. Curated by ChEMBL | Assay Description In vitro inhibition of plasmepsin-2 from Plasmodium falciparum. | Bioorg Med Chem Lett 8: 2315-20 (1999) BindingDB Entry DOI: 10.7270/Q2SN09G9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasmepsin 2 (Plasmodium falciparum) | BDBM50071556![]() (CHEMBL74943 | N-[(1S,2S)-1-(1-Benzyl-3-butylcarbam...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Pompeu Fabra Curated by ChEMBL | Assay Description Binding affinity towards plasmepsin-2 in Plasmodium falciparum. | J Med Chem 47: 2805-15 (2004) Article DOI: 10.1021/jm0311240 BindingDB Entry DOI: 10.7270/Q22J6CMN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM50071556![]() (CHEMBL74943 | N-[(1S,2S)-1-(1-Benzyl-3-butylcarbam...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Pompeu Fabra Curated by ChEMBL | Assay Description Binding affinity towards human cathepsin D. | J Med Chem 47: 2805-15 (2004) Article DOI: 10.1021/jm0311240 BindingDB Entry DOI: 10.7270/Q22J6CMN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM50071556![]() (CHEMBL74943 | N-[(1S,2S)-1-(1-Benzyl-3-butylcarbam...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc. Curated by ChEMBL | Assay Description Inhibitory activity against cathepsin D | Bioorg Med Chem Lett 8: 2315-20 (1999) BindingDB Entry DOI: 10.7270/Q2SN09G9 | |||||||||||
More data for this Ligand-Target Pair |