BDBM50036591 CHEMBL3354242
SMILES: [H][C@@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCN(C1)C(=O)CCCC
InChI Key: InChIKey=WHBVQJZRIGLEOT-WMZHIEFXSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50036591 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)) | BDBM50036591
(CHEMBL3354242)Show SMILES [H][C@@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCN(C1)C(=O)CCCC |r| Show InChI InChI=1S/C23H40N4O2/c1-3-4-12-20(28)27-15-8-11-19(17-27)16-23(21(29)26(2)22(24)25-23)14-13-18-9-6-5-7-10-18/h18-19H,3-17H2,1-2H3,(H2,24,25)/t19-,23+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.70E+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 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)) | BDBM50036591
(CHEMBL3354242)Show SMILES [H][C@@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCN(C1)C(=O)CCCC |r| Show InChI InChI=1S/C23H40N4O2/c1-3-4-12-20(28)27-15-8-11-19(17-27)16-23(21(29)26(2)22(24)25-23)14-13-18-9-6-5-7-10-18/h18-19H,3-17H2,1-2H3,(H2,24,25)/t19-,23+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.80E+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 | |