Found 25 hits of Enzyme Inhibition Constant Data 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)) | BDBM50172100
(CHEMBL3809870)Show SMILES CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1CCc1ccc(NC(=O)c2ccc(F)cc2)cn1 Show InChI InChI=1S/C38H40FN5O2/c1-38(2,3)20-21-41-35(45)19-12-28-23-29-22-27(11-18-34(29)44-36(28)40)33-7-5-4-6-25(33)10-15-31-16-17-32(24-42-31)43-37(46)26-8-13-30(39)14-9-26/h4-9,11,13-14,16-18,22-24H,10,12,15,19-21H2,1-3H3,(H2,40,44)(H,41,45)(H,43,46) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.800 | 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)
Article DOI: 10.1021/acs.jmedchem.5b01917
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50172104
(CHEMBL3808441)Show SMILES CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1C#CCC1(CC1)NC(=O)c1ccc(F)cc1 Show InChI InChI=1S/C37H39FN4O2/c1-36(2,3)21-22-40-33(43)17-13-28-24-29-23-27(12-16-32(29)41-34(28)39)31-9-5-4-7-25(31)8-6-18-37(19-20-37)42-35(44)26-10-14-30(38)15-11-26/h4-5,7,9-12,14-16,23-24H,13,17-22H2,1-3H3,(H2,39,41)(H,40,43)(H,42,44) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 9 | 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)
Article DOI: 10.1021/acs.jmedchem.5b01917
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50172106
(CHEMBL3809897)Show SMILES CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1C#Cc1ccc(NC(=O)c2ccc(F)cc2)cn1 Show InChI InChI=1S/C38H36FN5O2/c1-38(2,3)20-21-41-35(45)19-12-28-23-29-22-27(11-18-34(29)44-36(28)40)33-7-5-4-6-25(33)10-15-31-16-17-32(24-42-31)43-37(46)26-8-13-30(39)14-9-26/h4-9,11,13-14,16-18,22-24H,12,19-21H2,1-3H3,(H2,40,44)(H,41,45)(H,43,46) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | 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)
Article DOI: 10.1021/acs.jmedchem.5b01917
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50172100
(CHEMBL3809870)Show SMILES CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1CCc1ccc(NC(=O)c2ccc(F)cc2)cn1 Show InChI InChI=1S/C38H40FN5O2/c1-38(2,3)20-21-41-35(45)19-12-28-23-29-22-27(11-18-34(29)44-36(28)40)33-7-5-4-6-25(33)10-15-31-16-17-32(24-42-31)43-37(46)26-8-13-30(39)14-9-26/h4-9,11,13-14,16-18,22-24H,10,12,15,19-21H2,1-3H3,(H2,40,44)(H,41,45)(H,43,46) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | 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)
Article DOI: 10.1021/acs.jmedchem.5b01917
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
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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)
Article DOI: 10.1021/acs.jmedchem.5b01917
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50172106
(CHEMBL3809897)Show SMILES CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1C#Cc1ccc(NC(=O)c2ccc(F)cc2)cn1 Show InChI InChI=1S/C38H36FN5O2/c1-38(2,3)20-21-41-35(45)19-12-28-23-29-22-27(11-18-34(29)44-36(28)40)33-7-5-4-6-25(33)10-15-31-16-17-32(24-42-31)43-37(46)26-8-13-30(39)14-9-26/h4-9,11,13-14,16-18,22-24H,12,19-21H2,1-3H3,(H2,40,44)(H,41,45)(H,43,46) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 58 | 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)
Article DOI: 10.1021/acs.jmedchem.5b01917
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50172104
(CHEMBL3808441)Show SMILES CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1C#CCC1(CC1)NC(=O)c1ccc(F)cc1 Show InChI InChI=1S/C37H39FN4O2/c1-36(2,3)21-22-40-33(43)17-13-28-24-29-23-27(12-16-32(29)41-34(28)39)31-9-5-4-7-25(31)8-6-18-37(19-20-37)42-35(44)26-10-14-30(38)15-11-26/h4-5,7,9-12,14-16,23-24H,13,17-22H2,1-3H3,(H2,39,41)(H,40,43)(H,42,44) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 99 | 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)
Article DOI: 10.1021/acs.jmedchem.5b01917
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50172104
(CHEMBL3808441)Show SMILES CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1C#CCC1(CC1)NC(=O)c1ccc(F)cc1 Show InChI InChI=1S/C37H39FN4O2/c1-36(2,3)21-22-40-33(43)17-13-28-24-29-23-27(12-16-32(29)41-34(28)39)31-9-5-4-7-25(31)8-6-18-37(19-20-37)42-35(44)26-10-14-30(38)15-11-26/h4-5,7,9-12,14-16,23-24H,13,17-22H2,1-3H3,(H2,39,41)(H,40,43)(H,42,44) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 191 | 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)
Article DOI: 10.1021/acs.jmedchem.5b01917
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
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
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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)
Article DOI: 10.1021/acs.jmedchem.5b01917
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50172106
(CHEMBL3809897)Show SMILES CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1C#Cc1ccc(NC(=O)c2ccc(F)cc2)cn1 Show InChI InChI=1S/C38H36FN5O2/c1-38(2,3)20-21-41-35(45)19-12-28-23-29-22-27(11-18-34(29)44-36(28)40)33-7-5-4-6-25(33)10-15-31-16-17-32(24-42-31)43-37(46)26-8-13-30(39)14-9-26/h4-9,11,13-14,16-18,22-24H,12,19-21H2,1-3H3,(H2,40,44)(H,41,45)(H,43,46) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 458 | 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)
Article DOI: 10.1021/acs.jmedchem.5b01917
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50172103
(CHEMBL3808672)Show SMILES Cc1ccccc1-c1ccc2nc(N)c(CCC(=O)NCCC(C)(C)C)cc2c1 Show InChI InChI=1S/C25H31N3O/c1-17-7-5-6-8-21(17)18-9-11-22-20(15-18)16-19(24(26)28-22)10-12-23(29)27-14-13-25(2,3)4/h5-9,11,15-16H,10,12-14H2,1-4H3,(H2,26,28)(H,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 510 | 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)
Article DOI: 10.1021/acs.jmedchem.5b01917
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50172101
(CHEMBL3808988)Show SMILES C[C@@H](Cc1cc2cc(ccc2nc1N)-c1ncccc1C)C(=O)NCCC(C)(C)C |r| Show InChI InChI=1S/C25H32N4O/c1-16-7-6-11-27-22(16)18-8-9-21-19(14-18)15-20(23(26)29-21)13-17(2)24(30)28-12-10-25(3,4)5/h6-9,11,14-15,17H,10,12-13H2,1-5H3,(H2,26,29)(H,28,30)/t17-/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
| n/a | n/a | 820 | 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)
Article DOI: 10.1021/acs.jmedchem.5b01917
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
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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)
Article DOI: 10.1021/acs.jmedchem.5b01917
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50172100
(CHEMBL3809870)Show SMILES CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1CCc1ccc(NC(=O)c2ccc(F)cc2)cn1 Show InChI InChI=1S/C38H40FN5O2/c1-38(2,3)20-21-41-35(45)19-12-28-23-29-22-27(11-18-34(29)44-36(28)40)33-7-5-4-6-25(33)10-15-31-16-17-32(24-42-31)43-37(46)26-8-13-30(39)14-9-26/h4-9,11,13-14,16-18,22-24H,10,12,15,19-21H2,1-3H3,(H2,40,44)(H,41,45)(H,43,46) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90E+3 | 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)
Article DOI: 10.1021/acs.jmedchem.5b01917
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50351914
(CHEMBL1821803)Show InChI InChI=1S/C16H14N2/c1-11-4-2-3-5-14(11)12-6-8-15-13(10-12)7-9-16(17)18-15/h2-10H,1H3,(H2,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.08E+5 | 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)
Article DOI: 10.1021/acs.jmedchem.5b01917
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50172102
(CHEMBL3809662)Show SMILES NC1=NC2(CO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1ccc(cc21)C1=CCCOC1 |t:1,34| Show InChI InChI=1S/C26H21ClN4O4/c27-17-4-6-21(29-12-17)24(32)30-18-5-8-23-20(11-18)26(14-34-25(28)31-26)19-10-15(3-7-22(19)35-23)16-2-1-9-33-13-16/h2-8,10-12H,1,9,13-14H2,(H2,28,31)(H,30,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70E+5 | 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)
Article DOI: 10.1021/acs.jmedchem.5b01917
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50172101
(CHEMBL3808988)Show SMILES C[C@@H](Cc1cc2cc(ccc2nc1N)-c1ncccc1C)C(=O)NCCC(C)(C)C |r| Show InChI InChI=1S/C25H32N4O/c1-16-7-6-11-27-22(16)18-8-9-21-19(14-18)15-20(23(26)29-21)13-17(2)24(30)28-12-10-25(3,4)5/h6-9,11,14-15,17H,10,12-13H2,1-5H3,(H2,26,29)(H,28,30)/t17-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 16 | 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)
Article DOI: 10.1021/acs.jmedchem.5b01917
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50172100
(CHEMBL3809870)Show SMILES CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1CCc1ccc(NC(=O)c2ccc(F)cc2)cn1 Show InChI InChI=1S/C38H40FN5O2/c1-38(2,3)20-21-41-35(45)19-12-28-23-29-22-27(11-18-34(29)44-36(28)40)33-7-5-4-6-25(33)10-15-31-16-17-32(24-42-31)43-37(46)26-8-13-30(39)14-9-26/h4-9,11,13-14,16-18,22-24H,10,12,15,19-21H2,1-3H3,(H2,40,44)(H,41,45)(H,43,46) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 0.400 | 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)
Article DOI: 10.1021/acs.jmedchem.5b01917
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50172102
(CHEMBL3809662)Show SMILES NC1=NC2(CO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1ccc(cc21)C1=CCCOC1 |t:1,34| Show InChI InChI=1S/C26H21ClN4O4/c27-17-4-6-21(29-12-17)24(32)30-18-5-8-23-20(11-18)26(14-34-25(28)31-26)19-10-15(3-7-22(19)35-23)16-2-1-9-33-13-16/h2-8,10-12H,1,9,13-14H2,(H2,28,31)(H,30,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 0.600 | 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)
Article DOI: 10.1021/acs.jmedchem.5b01917
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50351914
(CHEMBL1821803)Show InChI InChI=1S/C16H14N2/c1-11-4-2-3-5-14(11)12-6-8-15-13(10-12)7-9-16(17)18-15/h2-10H,1H3,(H2,17,18) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.00E+4 | 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)
Article DOI: 10.1021/acs.jmedchem.5b01917
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50172106
(CHEMBL3809897)Show SMILES CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1C#Cc1ccc(NC(=O)c2ccc(F)cc2)cn1 Show InChI InChI=1S/C38H36FN5O2/c1-38(2,3)20-21-41-35(45)19-12-28-23-29-22-27(11-18-34(29)44-36(28)40)33-7-5-4-6-25(33)10-15-31-16-17-32(24-42-31)43-37(46)26-8-13-30(39)14-9-26/h4-9,11,13-14,16-18,22-24H,12,19-21H2,1-3H3,(H2,40,44)(H,41,45)(H,43,46) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 11 | 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)
Article DOI: 10.1021/acs.jmedchem.5b01917
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM64871
(N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide ...)Show InChI InChI=1S/C12H8ClFN2O/c13-11-6-5-10(7-15-11)16-12(17)8-1-3-9(14)4-2-8/h1-7H,(H,16,17) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.14E+5 | 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)
Article DOI: 10.1021/acs.jmedchem.5b01917
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
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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)
Article DOI: 10.1021/acs.jmedchem.5b01917
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50172103
(CHEMBL3808672)Show SMILES Cc1ccccc1-c1ccc2nc(N)c(CCC(=O)NCCC(C)(C)C)cc2c1 Show InChI InChI=1S/C25H31N3O/c1-17-7-5-6-8-21(17)18-9-11-22-20(15-18)16-19(24(26)28-22)10-12-23(29)27-14-13-25(2,3)4/h5-9,11,15-16H,10,12-14H2,1-4H3,(H2,26,28)(H,27,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 140 | 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)
Article DOI: 10.1021/acs.jmedchem.5b01917
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50172104
(CHEMBL3808441)Show SMILES CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)-c1ccccc1C#CCC1(CC1)NC(=O)c1ccc(F)cc1 Show InChI InChI=1S/C37H39FN4O2/c1-36(2,3)21-22-40-33(43)17-13-28-24-29-23-27(12-16-32(29)41-34(28)39)31-9-5-4-7-25(31)8-6-18-37(19-20-37)42-35(44)26-10-14-30(38)15-11-26/h4-5,7,9-12,14-16,23-24H,13,17-22H2,1-3H3,(H2,39,41)(H,40,43)(H,42,44) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 8 | 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)
Article DOI: 10.1021/acs.jmedchem.5b01917
BindingDB Entry DOI: 10.7270/Q2RF5WXP |
More data for this
Ligand-Target Pair | |
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