null
SMILES: CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccccc3)C(=O)C2)c1
InChI Key: InChIKey=PRPCMUHQFAGMHJ-PIZZNKLWSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50377839 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
(Homo sapiens (Human)) | BDBM50377839
(CHEMBL263405)Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccccc3)C(=O)C2)c1 Show InChI InChI=1S/C31H38N4O3/c1-34(2)27-15-9-14-25(16-27)19-32-20-29(36)28(17-23-10-5-3-6-11-23)33-31(38)26-18-30(37)35(22-26)21-24-12-7-4-8-13-24/h3-16,26,28-29,32,36H,17-22H2,1-2H3,(H,33,38)/t26-,28-,29+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
LG Life Sciences
Curated by ChEMBL
| Assay Description Inhibition of cathepsin D |
Bioorg Med Chem Lett 18: 2900-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50377839
(CHEMBL263405)Show SMILES CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3ccccc3)C(=O)C2)c1 Show InChI InChI=1S/C31H38N4O3/c1-34(2)27-15-9-14-25(16-27)19-32-20-29(36)28(17-23-10-5-3-6-11-23)33-31(38)26-18-30(37)35(22-26)21-24-12-7-4-8-13-24/h3-16,26,28-29,32,36H,17-22H2,1-2H3,(H,33,38)/t26-,28-,29+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
LG Life Sciences
Curated by ChEMBL
| Assay Description Inhibition of human BACE1 |
Bioorg Med Chem Lett 18: 2900-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.081 BindingDB Entry DOI: 10.7270/Q2RV0PKZ |
More data for this Ligand-Target Pair | |