null
SMILES: CSCC[C@H](NC(=O)OCn1nc(C)cc1C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
InChI Key: InChIKey=ULDYEMFEBUTYDX-UYVIBWFJSA-N
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-secretase 1 (Homo sapiens (Human)) | BDBM16251 ((3,5-dimethyl-1H-pyrazol-1-yl)methyl N-[(1S)-1-{[(...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 14 | -11.1 | n/a | n/a | n/a | n/a | n/a | 4.5 | 37 |
Purdue University | Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record... | J Am Chem Soc 128: 5310-1 (2006) Article DOI: 10.1021/ja058636j BindingDB Entry DOI: 10.7270/Q26W98BN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM16251 ((3,5-dimethyl-1H-pyrazol-1-yl)methyl N-[(1S)-1-{[(...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 25 | -10.8 | n/a | n/a | n/a | n/a | n/a | 4.5 | 37 |
Purdue University | Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record... | J Am Chem Soc 128: 5310-1 (2006) Article DOI: 10.1021/ja058636j BindingDB Entry DOI: 10.7270/Q26W98BN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 2 (Homo sapiens (Human)) | BDBM16251 ((3,5-dimethyl-1H-pyrazol-1-yl)methyl N-[(1S)-1-{[(...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 811 | -8.64 | n/a | n/a | n/a | n/a | n/a | 4.5 | 37 |
Purdue University | Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record... | J Am Chem Soc 128: 5310-1 (2006) Article DOI: 10.1021/ja058636j BindingDB Entry DOI: 10.7270/Q26W98BN | |||||||||||
More data for this Ligand-Target Pair |