BDBM50084650 CHEMBL177914::{(S)-1-[(S)-1-Formyl-2-(4-hydroxy-phenyl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid benzyl ester::{1-[1-Formyl-2-(4-hydroxy-phenyl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid benzyl ester(Cbz-Phe-Tyr-CHO)
SMILES: Oc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C=O)cc1
InChI Key: InChIKey=QVDJMLQSYRSZKC-UPVQGACJSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cathepsin S (Homo sapiens (Human)) | BDBM50084650 (CHEMBL177914 | {(S)-1-[(S)-1-Formyl-2-(4-hydroxy-p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Apparent inhibitory constant against human cathepsin S | J Med Chem 48: 6870-8 (2005) Article DOI: 10.1021/jm0502079 BindingDB Entry DOI: 10.7270/Q2WM1CZC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM50084650 (CHEMBL177914 | {(S)-1-[(S)-1-Formyl-2-(4-hydroxy-p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Apparent inhibitory constant against human cathepsin L | J Med Chem 48: 6870-8 (2005) Article DOI: 10.1021/jm0502079 BindingDB Entry DOI: 10.7270/Q2WM1CZC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM50084650 (CHEMBL177914 | {(S)-1-[(S)-1-Formyl-2-(4-hydroxy-p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Apparent inhibitory constant against human cathepsin K | J Med Chem 48: 6870-8 (2005) Article DOI: 10.1021/jm0502079 BindingDB Entry DOI: 10.7270/Q2WM1CZC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM50084650 (CHEMBL177914 | {(S)-1-[(S)-1-Formyl-2-(4-hydroxy-p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 85.1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland Curated by ChEMBL | Assay Description Inhibitory activity against Cathepsin B | J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calpain-2 (m-Calpain) (Homo sapiens (Human)) | BDBM50084650 (CHEMBL177914 | {(S)-1-[(S)-1-Formyl-2-(4-hydroxy-p...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 184 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland Curated by ChEMBL | Assay Description Inhibitory activity against Calpain 2 | J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM50084650 (CHEMBL177914 | {(S)-1-[(S)-1-Formyl-2-(4-hydroxy-p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.850 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland Curated by ChEMBL | Assay Description Inhibitory activity against cathepsin L, lysosomal cysteine protease | J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4 | |||||||||||
More data for this Ligand-Target Pair |