Found 2 hits in this display Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50036577
(CHEMBL3354251)Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC2CCCCC2)C1=O |r| Show InChI InChI=1S/C25H44N4O/c1-29-23(30)25(28-24(29)26,16-15-19-9-4-2-5-10-19)18-20-11-8-14-22(17-20)27-21-12-6-3-7-13-21/h19-22,27H,2-18H2,1H3,(H2,26,28)/t20-,22+,25+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of purified human BACE1 by FRET assay |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006 BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50036577
(CHEMBL3354251)Show SMILES CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC2CCCCC2)C1=O |r| Show InChI InChI=1S/C25H44N4O/c1-29-23(30)25(28-24(29)26,16-15-19-9-4-2-5-10-19)18-20-11-8-14-22(17-20)27-21-12-6-3-7-13-21/h19-22,27H,2-18H2,1H3,(H2,26,28)/t20-,22+,25+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of cathepsin-D (unknown origin) |
Bioorg Med Chem Lett 24: 5455-9 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.006 BindingDB Entry DOI: 10.7270/Q2RJ4M38 |
More data for this Ligand-Target Pair | |