BDBM50036592 CHEMBL3353635
SMILES: [H][C@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCN(C1)C(=O)NCCC
InChI Key: InChIKey=CHOMXJPJPQZWET-XMSQKQJNSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50036592 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)) | BDBM50036592
(CHEMBL3353635)Show SMILES [H][C@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCN(C1)C(=O)NCCC |r| Show InChI InChI=1S/C22H39N5O2/c1-3-13-24-21(29)27-14-7-10-18(16-27)15-22(19(28)26(2)20(23)25-22)12-11-17-8-5-4-6-9-17/h17-18H,3-16H2,1-2H3,(H2,23,25)(H,24,29)/t18-,22-/m1/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+3 | 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 | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50036592
(CHEMBL3353635)Show SMILES [H][C@]1(C[C@@]2(CCC3CCCCC3)NC(=N)N(C)C2=O)CCCN(C1)C(=O)NCCC |r| Show InChI InChI=1S/C22H39N5O2/c1-3-13-24-21(29)27-14-7-10-18(16-27)15-22(19(28)26(2)20(23)25-22)12-11-17-8-5-4-6-9-17/h17-18H,3-16H2,1-2H3,(H2,23,25)(H,24,29)/t18-,22-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.50E+3 | 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 | |