BDBM50073130 (S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-pentadecanoylamino]-3-phenyl-propionic acid ethyl ester::CHEMBL320510
SMILES: CCCCCCCCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC
InChI Key: InChIKey=NVAWZZQDFKVKHY-CYZZXXEPSA-N
Data: 2 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Beta-chymotrypsin (Bos taurus) | BDBM50073130 ((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-penta...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation Curated by ChEMBL | Assay Description In vitro inhibition of bovine alpha chymotrypsin. | J Med Chem 42: 312-23 (1999) Article DOI: 10.1021/jm980562h BindingDB Entry DOI: 10.7270/Q2930SBF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin (Bos taurus (bovine)) | BDBM50073130 ((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-penta...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Steel Corporation Curated by ChEMBL | Assay Description Compound was tested by chromogenic assay for the inhibition of serine proteases like Bovine trypsin | J Med Chem 42: 312-23 (1999) Article DOI: 10.1021/jm980562h BindingDB Entry DOI: 10.7270/Q2930SBF | |||||||||||
More data for this Ligand-Target Pair |