BDBM50066647 CHEMBL113724::{(S)-3-Methyl-1-[3-oxo-1-(4-phenoxy-benzenesulfonyl)-piperidin-4-ylcarbamoyl]-butyl}-carbamic acid benzyl ester::{3-Methyl-1-[3-oxo-1-(4-phenoxy-benzenesulfonyl)-piperidin-4-ylcarbamoyl]-butyl}-carbamic acid benzyl ester
SMILES: CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(CC1=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChI Key: InChIKey=OBXMLFFPNXDMON-CPRJBALCSA-N
Data: 3 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 K (Homo sapiens (Human)) | BDBM50066647 (CHEMBL113724 | {(S)-3-Methyl-1-[3-oxo-1-(4-phenoxy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of cathepsin K | J Med Chem 41: 3563-7 (1998) Article DOI: 10.1021/jm980295f BindingDB Entry DOI: 10.7270/Q2G15ZZB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM50066647 (CHEMBL113724 | {(S)-3-Methyl-1-[3-oxo-1-(4-phenoxy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of cathepsin B | J Med Chem 41: 3563-7 (1998) Article DOI: 10.1021/jm980295f BindingDB Entry DOI: 10.7270/Q2G15ZZB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM50066647 (CHEMBL113724 | {(S)-3-Methyl-1-[3-oxo-1-(4-phenoxy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of cathepsin L | J Med Chem 41: 3563-7 (1998) Article DOI: 10.1021/jm980295f BindingDB Entry DOI: 10.7270/Q2G15ZZB | |||||||||||
More data for this Ligand-Target Pair |