BDBM50010416 CHEMBL324692::[[4-(Ethoxycarbonyl)piperdino]carbonyl]-Phe-beta-Ala-ACHPA-Ile N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]amide
SMILES: CCOC(=O)C1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)N[C@@H]([C@@H](C)CC)C(=O)NCc1cnc(C)nc1N
InChI Key: InChIKey=OJSJJFYMVWKMPG-KUCMJJRQSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cathepsin D (Bos taurus) | BDBM50010416 (CHEMBL324692 | [[4-(Ethoxycarbonyl)piperdino]carbo...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
E. Merck Darmstadt Curated by ChEMBL | Assay Description In vitro inhibitory activity against bovine Cathepsin D | J Med Chem 34: 3267-80 (1991) BindingDB Entry DOI: 10.7270/Q2G161FT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pepsin A (Porcine) | BDBM50010416 (CHEMBL324692 | [[4-(Ethoxycarbonyl)piperdino]carbo...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
E. Merck Darmstadt Curated by ChEMBL | Assay Description In vitro inhibitory activity against porcine Pepsin. | J Med Chem 34: 3267-80 (1991) BindingDB Entry DOI: 10.7270/Q2G161FT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50010416 (CHEMBL324692 | [[4-(Ethoxycarbonyl)piperdino]carbo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
E. Merck Darmstadt Curated by ChEMBL | Assay Description In vitro for inhibitory activity against human renin | J Med Chem 34: 3267-80 (1991) BindingDB Entry DOI: 10.7270/Q2G161FT | |||||||||||
More data for this Ligand-Target Pair |