BDBM50017485 1N-[1-isopentylcarbamoyl-(1S)-ethyl]-4-[1-(1-amino-1-methylpropylcarboxamido)-2-methyl-(1S)-propylcarboxamido]-3-hydroxy-6-methyl-(3S,4S)-heptanamide::3-Hydroxy-6-methyl-4-[3-methyl-2-(3-methyl-butyrylamino)-butyrylamino]-heptanoic acid [1-(3-methyl-butylcarbamoyl)-ethyl]-amide::CHEMBL28738
SMILES: CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C
InChI Key: InChIKey=JQOFUZAKCVQZTH-CIEVZJJWSA-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) | BDBM50017485 (1N-[1-isopentylcarbamoyl-(1S)-ethyl]-4-[1-(1-amino...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description The compound was tested for inhibition of carboxyl protease (pepsin) inhibition | J Med Chem 25: 791-5 (1982) BindingDB Entry DOI: 10.7270/Q2C828BB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Pepsinogen C (Rattus norvegicus) | BDBM50017485 (1N-[1-isopentylcarbamoyl-(1S)-ethyl]-4-[1-(1-amino...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Wisconsin-Madison Curated by ChEMBL | Assay Description Inhibition of enzyme pepsin | J Med Chem 32: 1378-92 (1989) BindingDB Entry DOI: 10.7270/Q20G3KQ1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Bos taurus) | BDBM50017485 (1N-[1-isopentylcarbamoyl-(1S)-ethyl]-4-[1-(1-amino...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 220 | 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 |