Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50040338 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 2
(Homo sapiens (Human)) | BDBM50392835
(CHEMBL2151181)Show SMILES CC#Cc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:25| Show InChI InChI=1S/C18H17ClN4OS/c1-4-5-11-6-12(10-21-9-11)14-7-13(19)16(25-14)18(2)8-15(24)23(3)17(20)22-18/h6-7,9-10H,8H2,1-3H3,(H2,20,22)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| <1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE2 by FRET assay |
ACS Med Chem Lett 3: 897-902 (2012)
Article DOI: 10.1021/ml3001165
BindingDB Entry DOI: 10.7270/Q23779SN |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50392835
(CHEMBL2151181)Show SMILES CC#Cc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:25| Show InChI InChI=1S/C18H17ClN4OS/c1-4-5-11-6-12(10-21-9-11)14-7-13(19)16(25-14)18(2)8-15(24)23(3)17(20)22-18/h6-7,9-10H,8H2,1-3H3,(H2,20,22)/t18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
ACS Med Chem Lett 3: 897-902 (2012)
Article DOI: 10.1021/ml3001165
BindingDB Entry DOI: 10.7270/Q23779SN |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50392836
(CHEMBL2151141)Show SMILES CC#Cc1cncc(c1)-c1csc(c1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:24| Show InChI InChI=1S/C18H18N4OS/c1-4-5-12-6-13(10-20-9-12)14-7-15(24-11-14)18(2)8-16(23)22(3)17(19)21-18/h6-7,9-11H,8H2,1-3H3,(H2,19,21)/t18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
ACS Med Chem Lett 3: 897-902 (2012)
Article DOI: 10.1021/ml3001165
BindingDB Entry DOI: 10.7270/Q23779SN |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50392837
(CHEMBL2151182)Show SMILES CC#Cc1cncc(c1)-c1cc(c(Cl)s1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:25| Show InChI InChI=1S/C18H17ClN4OS/c1-4-5-11-6-12(10-21-9-11)14-7-13(16(19)25-14)18(2)8-15(24)23(3)17(20)22-18/h6-7,9-10H,8H2,1-3H3,(H2,20,22)/t18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
ACS Med Chem Lett 3: 897-902 (2012)
Article DOI: 10.1021/ml3001165
BindingDB Entry DOI: 10.7270/Q23779SN |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50392838
(CHEMBL2151179)Show SMILES CC#Cc1cncc(c1)-c1ccc(s1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:24| Show InChI InChI=1S/C18H18N4OS/c1-4-5-12-8-13(11-20-10-12)14-6-7-15(24-14)18(2)9-16(23)22(3)17(19)21-18/h6-8,10-11H,9H2,1-3H3,(H2,19,21)/t18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
ACS Med Chem Lett 3: 897-902 (2012)
Article DOI: 10.1021/ml3001165
BindingDB Entry DOI: 10.7270/Q23779SN |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50392839
(CHEMBL2151180)Show SMILES CC#Cc1cncc(c1)-c1cc(cs1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:24| Show InChI InChI=1S/C18H18N4OS/c1-4-5-12-6-13(10-20-9-12)15-7-14(11-24-15)18(2)8-16(23)22(3)17(19)21-18/h6-7,9-11H,8H2,1-3H3,(H2,19,21)/t18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
ACS Med Chem Lett 3: 897-902 (2012)
Article DOI: 10.1021/ml3001165
BindingDB Entry DOI: 10.7270/Q23779SN |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50392840
(CHEMBL2151138)Show SMILES CN1C(=O)C[C@](C)(N=C1N)c1cc(cs1)-c1cccc(c1)C#N |r,c:7| Show InChI InChI=1S/C17H16N4OS/c1-17(8-15(22)21(2)16(19)20-17)14-7-13(10-23-14)12-5-3-4-11(6-12)9-18/h3-7,10H,8H2,1-2H3,(H2,19,20)/t17-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
| Article
PubMed
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
ACS Med Chem Lett 3: 897-902 (2012)
Article DOI: 10.1021/ml3001165
BindingDB Entry DOI: 10.7270/Q23779SN |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50392841
(CHEMBL2151139)Show SMILES CN1C(=O)C[C@](C)(N=C1N)c1ccc(s1)-c1cccc(c1)C#N |r,c:7| Show InChI InChI=1S/C17H16N4OS/c1-17(9-15(22)21(2)16(19)20-17)14-7-6-13(23-14)12-5-3-4-11(8-12)10-18/h3-8H,9H2,1-2H3,(H2,19,20)/t17-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 88 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
ACS Med Chem Lett 3: 897-902 (2012)
Article DOI: 10.1021/ml3001165
BindingDB Entry DOI: 10.7270/Q23779SN |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50392842
(CHEMBL2151140)Show SMILES CN1C(=O)C[C@](C)(N=C1N)c1csc(c1)-c1cccc(c1)C#N |r,c:7| Show InChI InChI=1S/C17H16N4OS/c1-17(8-15(22)21(2)16(19)20-17)13-7-14(23-10-13)12-5-3-4-11(6-12)9-18/h3-7,10H,8H2,1-2H3,(H2,19,20)/t17-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
ACS Med Chem Lett 3: 897-902 (2012)
Article DOI: 10.1021/ml3001165
BindingDB Entry DOI: 10.7270/Q23779SN |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50392843
(CHEMBL1233206)Show SMILES COc1cccc(c1)-c1cccc(c1)[C@]1(C)CC(=O)N(C)C(=N)N1 |r| Show InChI InChI=1S/C19H21N3O2/c1-19(12-17(23)22(2)18(20)21-19)15-8-4-6-13(10-15)14-7-5-9-16(11-14)24-3/h4-11H,12H2,1-3H3,(H2,20,21)/t19-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
ACS Med Chem Lett 3: 897-902 (2012)
Article DOI: 10.1021/ml3001165
BindingDB Entry DOI: 10.7270/Q23779SN |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50392844
(CHEMBL2151134)Show SMILES CN1C(=O)C[C@](C)(N=C1N)c1cccc(c1)-c1cccc(c1)C#N |r,c:7| Show InChI InChI=1S/C19H18N4O/c1-19(11-17(24)23(2)18(21)22-19)16-8-4-7-15(10-16)14-6-3-5-13(9-14)12-20/h3-10H,11H2,1-2H3,(H2,21,22)/t19-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
ACS Med Chem Lett 3: 897-902 (2012)
Article DOI: 10.1021/ml3001165
BindingDB Entry DOI: 10.7270/Q23779SN |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50392845
(CHEMBL2151135)Show SMILES CN1C(=O)C[C@](C)(N=C1N)c1cccc(c1)-c1cccnc1 |r,c:7| Show InChI InChI=1S/C17H18N4O/c1-17(10-15(22)21(2)16(18)20-17)14-7-3-5-12(9-14)13-6-4-8-19-11-13/h3-9,11H,10H2,1-2H3,(H2,18,20)/t17-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 670 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
ACS Med Chem Lett 3: 897-902 (2012)
Article DOI: 10.1021/ml3001165
BindingDB Entry DOI: 10.7270/Q23779SN |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50392846
(CHEMBL2151136)Show SMILES CN1C(=O)C[C@@](N=C1N)(c1ccccc1)c1cccc(c1)-c1cccc(c1)C#N |r,c:6| Show InChI InChI=1S/C24H20N4O/c1-28-22(29)15-24(27-23(28)26,20-10-3-2-4-11-20)21-12-6-9-19(14-21)18-8-5-7-17(13-18)16-25/h2-14H,15H2,1H3,(H2,26,27)/t24-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
ACS Med Chem Lett 3: 897-902 (2012)
Article DOI: 10.1021/ml3001165
BindingDB Entry DOI: 10.7270/Q23779SN |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50392847
(CHEMBL2151040)Show SMILES COc1cccc(c1)-c1cccc(c1)[C@@]1(CC(=O)N(C)C(N)=N1)c1ccccc1 |r,c:23| Show InChI InChI=1S/C24H23N3O2/c1-27-22(28)16-24(26-23(27)25,19-10-4-3-5-11-19)20-12-6-8-17(14-20)18-9-7-13-21(15-18)29-2/h3-15H,16H2,1-2H3,(H2,25,26)/t24-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
ACS Med Chem Lett 3: 897-902 (2012)
Article DOI: 10.1021/ml3001165
BindingDB Entry DOI: 10.7270/Q23779SN |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50392848
(CHEMBL2151137)Show SMILES CN1C(=O)C[C@@](N=C1N)(c1ccccc1)c1cccc(c1)-c1cccnc1 |r,c:6| Show InChI InChI=1S/C22H20N4O/c1-26-20(27)14-22(25-21(26)23,18-9-3-2-4-10-18)19-11-5-7-16(13-19)17-8-6-12-24-15-17/h2-13,15H,14H2,1H3,(H2,23,25)/t22-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 by FRET assay |
ACS Med Chem Lett 3: 897-902 (2012)
Article DOI: 10.1021/ml3001165
BindingDB Entry DOI: 10.7270/Q23779SN |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50392835
(CHEMBL2151181)Show SMILES CC#Cc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:25| Show InChI InChI=1S/C18H17ClN4OS/c1-4-5-11-6-12(10-21-9-11)14-7-13(19)16(25-14)18(2)8-15(24)23(3)17(20)22-18/h6-7,9-10H,8H2,1-3H3,(H2,20,22)/t18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in HEK293 cells expressing APPswe/lon assessed as inhibition of amyloid beta-40 production |
ACS Med Chem Lett 3: 897-902 (2012)
Article DOI: 10.1021/ml3001165
BindingDB Entry DOI: 10.7270/Q23779SN |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50392836
(CHEMBL2151141)Show SMILES CC#Cc1cncc(c1)-c1csc(c1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:24| Show InChI InChI=1S/C18H18N4OS/c1-4-5-12-6-13(10-20-9-12)14-7-15(24-11-14)18(2)8-16(23)22(3)17(19)21-18/h6-7,9-11H,8H2,1-3H3,(H2,19,21)/t18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in HEK293 cells expressing APPswe/lon assessed as inhibition of amyloid beta-40 production |
ACS Med Chem Lett 3: 897-902 (2012)
Article DOI: 10.1021/ml3001165
BindingDB Entry DOI: 10.7270/Q23779SN |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50392838
(CHEMBL2151179)Show SMILES CC#Cc1cncc(c1)-c1ccc(s1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:24| Show InChI InChI=1S/C18H18N4OS/c1-4-5-12-8-13(11-20-10-12)14-6-7-15(24-14)18(2)9-16(23)22(3)17(19)21-18/h6-8,10-11H,9H2,1-3H3,(H2,19,21)/t18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in HEK293 cells expressing APPswe/lon assessed as inhibition of amyloid beta-40 production |
ACS Med Chem Lett 3: 897-902 (2012)
Article DOI: 10.1021/ml3001165
BindingDB Entry DOI: 10.7270/Q23779SN |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50392837
(CHEMBL2151182)Show SMILES CC#Cc1cncc(c1)-c1cc(c(Cl)s1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:25| Show InChI InChI=1S/C18H17ClN4OS/c1-4-5-11-6-12(10-21-9-11)14-7-13(16(19)25-14)18(2)8-15(24)23(3)17(20)22-18/h6-7,9-10H,8H2,1-3H3,(H2,20,22)/t18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in HEK293 cells expressing APPswe/lon assessed as inhibition of amyloid beta-40 production |
ACS Med Chem Lett 3: 897-902 (2012)
Article DOI: 10.1021/ml3001165
BindingDB Entry DOI: 10.7270/Q23779SN |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50392840
(CHEMBL2151138)Show SMILES CN1C(=O)C[C@](C)(N=C1N)c1cc(cs1)-c1cccc(c1)C#N |r,c:7| Show InChI InChI=1S/C17H16N4OS/c1-17(8-15(22)21(2)16(19)20-17)14-7-13(10-23-14)12-5-3-4-11(6-12)9-18/h3-7,10H,8H2,1-2H3,(H2,19,20)/t17-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in HEK293 cells expressing APPswe/lon assessed as inhibition of amyloid beta-40 production |
ACS Med Chem Lett 3: 897-902 (2012)
Article DOI: 10.1021/ml3001165
BindingDB Entry DOI: 10.7270/Q23779SN |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50392839
(CHEMBL2151180)Show SMILES CC#Cc1cncc(c1)-c1cc(cs1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:24| Show InChI InChI=1S/C18H18N4OS/c1-4-5-12-6-13(10-20-9-12)15-7-14(11-24-15)18(2)8-16(23)22(3)17(19)21-18/h6-7,9-11H,8H2,1-3H3,(H2,19,21)/t18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in HEK293 cells expressing APPswe/lon assessed as inhibition of amyloid beta-40 production |
ACS Med Chem Lett 3: 897-902 (2012)
Article DOI: 10.1021/ml3001165
BindingDB Entry DOI: 10.7270/Q23779SN |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50392841
(CHEMBL2151139)Show SMILES CN1C(=O)C[C@](C)(N=C1N)c1ccc(s1)-c1cccc(c1)C#N |r,c:7| Show InChI InChI=1S/C17H16N4OS/c1-17(9-15(22)21(2)16(19)20-17)14-7-6-13(23-14)12-5-3-4-11(8-12)10-18/h3-8H,9H2,1-2H3,(H2,19,20)/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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in HEK293 cells expressing APPswe/lon assessed as inhibition of amyloid beta-40 production |
ACS Med Chem Lett 3: 897-902 (2012)
Article DOI: 10.1021/ml3001165
BindingDB Entry DOI: 10.7270/Q23779SN |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50392842
(CHEMBL2151140)Show SMILES CN1C(=O)C[C@](C)(N=C1N)c1csc(c1)-c1cccc(c1)C#N |r,c:7| Show InChI InChI=1S/C17H16N4OS/c1-17(8-15(22)21(2)16(19)20-17)13-7-14(23-10-13)12-5-3-4-11(6-12)9-18/h3-7,10H,8H2,1-2H3,(H2,19,20)/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 | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in HEK293 cells expressing APPswe/lon assessed as inhibition of amyloid beta-40 production |
ACS Med Chem Lett 3: 897-902 (2012)
Article DOI: 10.1021/ml3001165
BindingDB Entry DOI: 10.7270/Q23779SN |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50392844
(CHEMBL2151134)Show SMILES CN1C(=O)C[C@](C)(N=C1N)c1cccc(c1)-c1cccc(c1)C#N |r,c:7| Show InChI InChI=1S/C19H18N4O/c1-19(11-17(24)23(2)18(21)22-19)16-8-4-7-15(10-16)14-6-3-5-13(9-14)12-20/h3-10H,11H2,1-2H3,(H2,21,22)/t19-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in HEK293 cells expressing APPswe/lon assessed as inhibition of amyloid beta-40 production |
ACS Med Chem Lett 3: 897-902 (2012)
Article DOI: 10.1021/ml3001165
BindingDB Entry DOI: 10.7270/Q23779SN |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50392845
(CHEMBL2151135)Show SMILES CN1C(=O)C[C@](C)(N=C1N)c1cccc(c1)-c1cccnc1 |r,c:7| Show InChI InChI=1S/C17H18N4O/c1-17(10-15(22)21(2)16(18)20-17)14-7-3-5-12(9-14)13-6-4-8-19-11-13/h3-9,11H,10H2,1-2H3,(H2,18,20)/t17-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in HEK293 cells expressing APPswe/lon assessed as inhibition of amyloid beta-40 production |
ACS Med Chem Lett 3: 897-902 (2012)
Article DOI: 10.1021/ml3001165
BindingDB Entry DOI: 10.7270/Q23779SN |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50392843
(CHEMBL1233206)Show SMILES COc1cccc(c1)-c1cccc(c1)[C@]1(C)CC(=O)N(C)C(=N)N1 |r| Show InChI InChI=1S/C19H21N3O2/c1-19(12-17(23)22(2)18(20)21-19)15-8-4-6-13(10-15)14-7-5-9-16(11-14)24-3/h4-11H,12H2,1-3H3,(H2,20,21)/t19-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 840 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in HEK293 cells expressing APPswe/lon assessed as inhibition of amyloid beta-40 production |
ACS Med Chem Lett 3: 897-902 (2012)
Article DOI: 10.1021/ml3001165
BindingDB Entry DOI: 10.7270/Q23779SN |
More data for this
Ligand-Target Pair | |
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