BDBM50010417 BOC-Phe-beta-Ala-Leu-psi[CHOHCH2]Val-Ile N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]amide::CHEMBL111515
SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)NCc1cnc(C)nc1N
InChI Key: InChIKey=OWXQDSNBNKFMJU-QTCSXKEMSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Pepsin A (Porcine) | BDBM50010417 (BOC-Phe-beta-Ala-Leu-psi[CHOHCH2]Val-Ile N-[(4-ami...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 830 | 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 | |||||||||||||
Cathepsin D (Bos taurus) | BDBM50010417 (BOC-Phe-beta-Ala-Leu-psi[CHOHCH2]Val-Ile N-[(4-ami...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.70E+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 | |||||||||||||
Renin (Homo sapiens (Human)) | BDBM50010417 (BOC-Phe-beta-Ala-Leu-psi[CHOHCH2]Val-Ile N-[(4-ami...) | 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 | 4.10 | 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 |