BDBM50025513 2-[2-(4-{2-[2-(2-tert-Butoxycarbonylamino-3-phenyl-propionylamino)-propionylamino]-propionylamino}-3-hydroxy-6-methyl-heptanoylamino)-3-methyl-butyrylamino]-4-methyl-pentanoic acid methyl ester::CHEMBL3142506::CHEMBL84056
SMILES: COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C
InChI Key: InChIKey=QVBSKGAQZDHDSF-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Pepsin A (Porcine) | BDBM50025513 (2-[2-(4-{2-[2-(2-tert-Butoxycarbonylamino-3-phenyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was tested for inhibition of pepsin. | J Med Chem 29: 2519-24 (1987) BindingDB Entry DOI: 10.7270/Q2NZ887N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Bos taurus) | BDBM50025513 (2-[2-(4-{2-[2-(2-tert-Butoxycarbonylamino-3-phenyl...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of cathepsin D. | J Med Chem 29: 2519-24 (1987) BindingDB Entry DOI: 10.7270/Q2NZ887N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pepsinogen C (Homo sapiens (Human)) | BDBM50025513 (2-[2-(4-{2-[2-(2-tert-Butoxycarbonylamino-3-phenyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was tested for inhibition of Rhizopus chinensis pepsin. | J Med Chem 29: 2519-24 (1987) BindingDB Entry DOI: 10.7270/Q2NZ887N | |||||||||||
More data for this Ligand-Target Pair |