Found 4 hits for monomerid = 50172105 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)) | BDBM50172105
(CHEMBL3808967)Show SMILES CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1C#CC1CC(C1)NC(=O)c1ccc(F)cc1 |(-8,-9.72,;-8,-8.48,;-9.07,-9.1,;-9.07,-7.87,;-6.67,-7.71,;-6.67,-6.17,;-5.34,-5.4,;-5.34,-3.86,;-6.41,-3.24,;-4.01,-3.08,;-4.01,-1.54,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-3.75,1.39,;4,-1.54,;3.99,-3.08,;5.33,-3.85,;6.66,-3.08,;6.66,-1.54,;5.33,-.77,;5.33,.77,;5.34,2.31,;5.34,3.85,;6.43,4.89,;5.34,5.98,;4.25,4.89,;5.34,7.51,;4.01,8.28,;2.94,7.67,;4.01,9.82,;2.67,10.59,;2.68,12.13,;4.01,12.9,;4.01,14.13,;5.34,12.13,;5.34,10.59,)| Show InChI InChI=1S/C37H39FN4O2/c1-37(2,3)18-19-40-34(43)17-13-28-23-29-22-27(12-16-33(29)42-35(28)39)32-7-5-4-6-25(32)9-8-24-20-31(21-24)41-36(44)26-10-14-30(38)15-11-26/h4-7,10-12,14-16,22-24,31H,13,17-21H2,1-3H3,(H2,39,42)(H,40,43)(H,41,44) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 197 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Cathepsin D (unknown origin) by fluorescence assay |
J Med Chem 59: 3732-49 (2016)
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50172105
(CHEMBL3808967)Show SMILES CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1C#CC1CC(C1)NC(=O)c1ccc(F)cc1 |(-8,-9.72,;-8,-8.48,;-9.07,-9.1,;-9.07,-7.87,;-6.67,-7.71,;-6.67,-6.17,;-5.34,-5.4,;-5.34,-3.86,;-6.41,-3.24,;-4.01,-3.08,;-4.01,-1.54,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-3.75,1.39,;4,-1.54,;3.99,-3.08,;5.33,-3.85,;6.66,-3.08,;6.66,-1.54,;5.33,-.77,;5.33,.77,;5.34,2.31,;5.34,3.85,;6.43,4.89,;5.34,5.98,;4.25,4.89,;5.34,7.51,;4.01,8.28,;2.94,7.67,;4.01,9.82,;2.67,10.59,;2.68,12.13,;4.01,12.9,;4.01,14.13,;5.34,12.13,;5.34,10.59,)| Show InChI InChI=1S/C37H39FN4O2/c1-37(2,3)18-19-40-34(43)17-13-28-23-29-22-27(12-16-33(29)42-35(28)39)32-7-5-4-6-25(32)9-8-24-20-31(21-24)41-36(44)26-10-14-30(38)15-11-26/h4-7,10-12,14-16,22-24,31H,13,17-21H2,1-3H3,(H2,39,42)(H,40,43)(H,41,44) | PDB
MMDB
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 expressed in HEK293 cells using peptide sequence EVNLAAEF as substrate preincubated for 60 mins followed by sub... |
J Med Chem 59: 3732-49 (2016)
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50172105
(CHEMBL3808967)Show SMILES CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1C#CC1CC(C1)NC(=O)c1ccc(F)cc1 |(-8,-9.72,;-8,-8.48,;-9.07,-9.1,;-9.07,-7.87,;-6.67,-7.71,;-6.67,-6.17,;-5.34,-5.4,;-5.34,-3.86,;-6.41,-3.24,;-4.01,-3.08,;-4.01,-1.54,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-3.75,1.39,;4,-1.54,;3.99,-3.08,;5.33,-3.85,;6.66,-3.08,;6.66,-1.54,;5.33,-.77,;5.33,.77,;5.34,2.31,;5.34,3.85,;6.43,4.89,;5.34,5.98,;4.25,4.89,;5.34,7.51,;4.01,8.28,;2.94,7.67,;4.01,9.82,;2.67,10.59,;2.68,12.13,;4.01,12.9,;4.01,14.13,;5.34,12.13,;5.34,10.59,)| Show InChI InChI=1S/C37H39FN4O2/c1-37(2,3)18-19-40-34(43)17-13-28-23-29-22-27(12-16-33(29)42-35(28)39)32-7-5-4-6-25(32)9-8-24-20-31(21-24)41-36(44)26-10-14-30(38)15-11-26/h4-7,10-12,14-16,22-24,31H,13,17-21H2,1-3H3,(H2,39,42)(H,40,43)(H,41,44) | PDB
MMDB
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to BACE1 (unknown origin) by surface plasmon resonance spectroscopic analysis |
J Med Chem 59: 3732-49 (2016)
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50172105
(CHEMBL3808967)Show SMILES CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1C#CC1CC(C1)NC(=O)c1ccc(F)cc1 |(-8,-9.72,;-8,-8.48,;-9.07,-9.1,;-9.07,-7.87,;-6.67,-7.71,;-6.67,-6.17,;-5.34,-5.4,;-5.34,-3.86,;-6.41,-3.24,;-4.01,-3.08,;-4.01,-1.54,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-3.75,1.39,;4,-1.54,;3.99,-3.08,;5.33,-3.85,;6.66,-3.08,;6.66,-1.54,;5.33,-.77,;5.33,.77,;5.34,2.31,;5.34,3.85,;6.43,4.89,;5.34,5.98,;4.25,4.89,;5.34,7.51,;4.01,8.28,;2.94,7.67,;4.01,9.82,;2.67,10.59,;2.68,12.13,;4.01,12.9,;4.01,14.13,;5.34,12.13,;5.34,10.59,)| Show InChI InChI=1S/C37H39FN4O2/c1-37(2,3)18-19-40-34(43)17-13-28-23-29-22-27(12-16-33(29)42-35(28)39)32-7-5-4-6-25(32)9-8-24-20-31(21-24)41-36(44)26-10-14-30(38)15-11-26/h4-7,10-12,14-16,22-24,31H,13,17-21H2,1-3H3,(H2,39,42)(H,40,43)(H,41,44) | PDB
MMDB
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) by cell based assay |
J Med Chem 59: 3732-49 (2016)
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
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