Found 12 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 10081 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 |
|---|
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM478051
(US10889595, Control Example (Control sample B-Secr...)Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
β-sectretase inhibitor IV from Calbiochem (cat #565788). |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28G8PVF |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM512916
(US11091444, Compound FAH-17 | US11142505, FAH #17)Show SMILES CN1C(N)=NC(C1=O)(c1cccc(F)c1)c1ccc(OC(F)F)c(C)c1 |c:3| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
β-sectretase inhibitor IV from Calbiochem (cat #565788). |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28G8PVF |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM512913
(US11091444, Compound FAH-3 | US11142505, FAH #3)Show SMILES CN1C(N)=NC(C1=O)(c1ccc(OC(F)F)c(C)c1)c1cc(F)cc(F)c1 |c:3| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
β-sectretase inhibitor IV from Calbiochem (cat #565788). |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28G8PVF |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM512912
(US11091444, Compound FAH-2)Show SMILES NC1=NC(C(=O)N1)(c1ccc(OC(F)F)cc1)c1cc(F)cc(F)c1 |t:1| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
β-sectretase inhibitor IV from Calbiochem (cat #565788). |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28G8PVF |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM512914
(US11091444, Compound FAH-4 | US11142505, FAH-04)Show SMILES CN1C(N)=NC(C1=O)(c1cccc(OC(F)F)c1)c1cc(F)cc(F)c1 |c:3| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
β-sectretase inhibitor IV from Calbiochem (cat #565788). |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28G8PVF |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM512557
(US11091444, Compound FAH-1 | US11142505, FAH-01)Show SMILES CN1C(N)=NC(C1=O)(c1ccccc1)c1cc(F)cc(F)c1 |c:3| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
β-sectretase inhibitor IV from Calbiochem (cat #565788). |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28G8PVF |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM512915
(US11091444, Compound FAH-5 | US11142505, FAH-05)Show SMILES CN1C(N)=NC(C1=O)(c1cc(C)cc(C)c1)c1cc(F)cc(F)c1 |c:3| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
β-sectretase inhibitor IV from Calbiochem (cat #565788). |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28G8PVF |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM512916
(US11091444, Compound FAH-17 | US11142505, FAH #17)Show SMILES CN1C(N)=NC(C1=O)(c1cccc(F)c1)c1ccc(OC(F)F)c(C)c1 |c:3| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | <1.00E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
β-sectretase inhibitor IV from Calbiochem (cat #565788). |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28G8PVF |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM478051
(US10889595, Control Example (Control sample B-Secr...)Show SMILES C[C@@H](NC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNC1CC1)N(C)S(C)(=O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H38N4O5S/c1-21(23-12-8-5-9-13-23)33-30(37)24-17-25(19-27(18-24)35(2)41(3,39)40)31(38)34-28(16-22-10-6-4-7-11-22)29(36)20-32-26-14-15-26/h4-13,17-19,21,26,28-29,32,36H,14-16,20H2,1-3H3,(H,33,37)(H,34,38)/t21-,28+,29+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
β-sectretase inhibitor IV from Calbiochem (cat #565788). |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28G8PVF |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM512912
(US11091444, Compound FAH-2)Show SMILES NC1=NC(C(=O)N1)(c1ccc(OC(F)F)cc1)c1cc(F)cc(F)c1 |t:1| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
β-sectretase inhibitor IV from Calbiochem (cat #565788). |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28G8PVF |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM512557
(US11091444, Compound FAH-1 | US11142505, FAH-01)Show SMILES CN1C(N)=NC(C1=O)(c1ccccc1)c1cc(F)cc(F)c1 |c:3| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
β-sectretase inhibitor IV from Calbiochem (cat #565788). |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28G8PVF |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM512913
(US11091444, Compound FAH-3 | US11142505, FAH #3)Show SMILES CN1C(N)=NC(C1=O)(c1ccc(OC(F)F)c(C)c1)c1cc(F)cc(F)c1 |c:3| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
β-sectretase inhibitor IV from Calbiochem (cat #565788). |
Citation and Details
BindingDB Entry DOI: 10.7270/Q28G8PVF |
More data for this
Ligand-Target Pair | |
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