Found 11 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)) | BDBM50258280
(4-(2-(2-methoxy-5-nitrophenyl)-1-(4-methoxyphenyl)...)Show SMILES COc1ccc(cc1)C(Cc1cc(ccc1OC)[N+]([O-])=O)c1cn(C)c(N)n1 Show InChI InChI=1S/C20H22N4O4/c1-23-12-18(22-20(23)21)17(13-4-7-16(27-2)8-5-13)11-14-10-15(24(25)26)6-9-19(14)28-3/h4-10,12,17H,11H2,1-3H3,(H2,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 470 | n/a | n/a | n/a | n/a | 6.5 | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) at pH 6.5 |
Bioorg Med Chem Lett 19: 2977-80 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.033
BindingDB Entry DOI: 10.7270/Q2XS5V96 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50258849
(4-(2-(2-methoxy-5-nitrophenyl)-1-(4-methoxyphenyl)...)Show SMILES COc1ccc(cc1)C(Cc1cc(ccc1OC)[N+]([O-])=O)c1csc(N)n1 Show InChI InChI=1S/C19H19N3O4S/c1-25-15-6-3-12(4-7-15)16(17-11-27-19(20)21-17)10-13-9-14(22(23)24)5-8-18(13)26-2/h3-9,11,16H,10H2,1-2H3,(H2,20,21) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | 4.5 | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) at pH 4.5 |
Bioorg Med Chem Lett 19: 2977-80 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.033
BindingDB Entry DOI: 10.7270/Q2XS5V96 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50258280
(4-(2-(2-methoxy-5-nitrophenyl)-1-(4-methoxyphenyl)...)Show SMILES COc1ccc(cc1)C(Cc1cc(ccc1OC)[N+]([O-])=O)c1cn(C)c(N)n1 Show InChI InChI=1S/C20H22N4O4/c1-23-12-18(22-20(23)21)17(13-4-7-16(27-2)8-5-13)11-14-10-15(24(25)26)6-9-19(14)28-3/h4-10,12,17H,11H2,1-3H3,(H2,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) by sAPP_NF cell based assay |
Bioorg Med Chem Lett 19: 2977-80 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.033
BindingDB Entry DOI: 10.7270/Q2XS5V96 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50258279
(4-(1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-nit...)Show SMILES COc1ccc(cc1F)C(Cc1cc(ccc1OC)[N+]([O-])=O)c1cnc(N)[nH]1 Show InChI InChI=1S/C19H19FN4O4/c1-27-17-6-4-13(24(25)26)7-12(17)8-14(16-10-22-19(21)23-16)11-3-5-18(28-2)15(20)9-11/h3-7,9-10,14H,8H2,1-2H3,(H3,21,22,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | 6.4 | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 at pH 6.4 |
Bioorg Med Chem Lett 19: 2977-80 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.033
BindingDB Entry DOI: 10.7270/Q2XS5V96 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50258278
(4-(2-(2-methoxy-5-nitrophenyl)-1-(4-methoxyphenyl)...)Show SMILES COc1ccc(cc1)C(Cc1cc(ccc1OC)[N+]([O-])=O)c1cnc(N)[nH]1 Show InChI InChI=1S/C19H20N4O4/c1-26-15-6-3-12(4-7-15)16(17-11-21-19(20)22-17)10-13-9-14(23(24)25)5-8-18(13)27-2/h3-9,11,16H,10H2,1-2H3,(H3,20,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | 6.5 | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) at pH 6.5 |
Bioorg Med Chem Lett 19: 2977-80 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.033
BindingDB Entry DOI: 10.7270/Q2XS5V96 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50258278
(4-(2-(2-methoxy-5-nitrophenyl)-1-(4-methoxyphenyl)...)Show SMILES COc1ccc(cc1)C(Cc1cc(ccc1OC)[N+]([O-])=O)c1cnc(N)[nH]1 Show InChI InChI=1S/C19H20N4O4/c1-26-15-6-3-12(4-7-15)16(17-11-21-19(20)22-17)10-13-9-14(23(24)25)5-8-18(13)27-2/h3-9,11,16H,10H2,1-2H3,(H3,20,21,22) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | 4.5 | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) at pH 4.5 |
Bioorg Med Chem Lett 19: 2977-80 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.033
BindingDB Entry DOI: 10.7270/Q2XS5V96 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50258847
(4-(1-(4-methoxyphenyl)cyclopentyl)thiazol-2-amine ...)Show InChI InChI=1S/C15H18N2OS/c1-18-12-6-4-11(5-7-12)15(8-2-3-9-15)13-10-19-14(16)17-13/h4-7,10H,2-3,8-9H2,1H3,(H2,16,17) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | 4.5 | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) at pH 4.5 |
Bioorg Med Chem Lett 19: 2977-80 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.033
BindingDB Entry DOI: 10.7270/Q2XS5V96 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50258848
(4-(1-(4-methoxyphenyl)-2-phenylethyl)thiazol-2-ami...)Show InChI InChI=1S/C18H18N2OS/c1-21-15-9-7-14(8-10-15)16(17-12-22-18(19)20-17)11-13-5-3-2-4-6-13/h2-10,12,16H,11H2,1H3,(H2,19,20) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20E+4 | n/a | n/a | n/a | n/a | 4.5 | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) at pH 4.5 |
Bioorg Med Chem Lett 19: 2977-80 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.033
BindingDB Entry DOI: 10.7270/Q2XS5V96 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50258846
(4-(1-(4-chlorophenyl)cyclopentyl)thiazol-2-amine |...)Show InChI InChI=1S/C14H15ClN2S/c15-11-5-3-10(4-6-11)14(7-1-2-8-14)12-9-18-13(16)17-12/h3-6,9H,1-2,7-8H2,(H2,16,17) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80E+4 | n/a | n/a | n/a | n/a | 4.5 | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) at pH 4.5 |
Bioorg Med Chem Lett 19: 2977-80 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.033
BindingDB Entry DOI: 10.7270/Q2XS5V96 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50258845
(4-(1-phenylcyclopentyl)thiazol-2-amine | CHEMBL511...)Show InChI InChI=1S/C14H16N2S/c15-13-16-12(10-17-13)14(8-4-5-9-14)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H2,15,16) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.17E+5 | n/a | n/a | n/a | n/a | 4.5 | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) at pH 4.5 |
Bioorg Med Chem Lett 19: 2977-80 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.033
BindingDB Entry DOI: 10.7270/Q2XS5V96 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50258849
(4-(2-(2-methoxy-5-nitrophenyl)-1-(4-methoxyphenyl)...)Show SMILES COc1ccc(cc1)C(Cc1cc(ccc1OC)[N+]([O-])=O)c1csc(N)n1 Show InChI InChI=1S/C19H19N3O4S/c1-25-15-6-3-12(4-7-15)16(17-11-27-19(20)21-17)10-13-9-14(22(23)24)5-8-18(13)26-2/h3-9,11,16H,10H2,1-2H3,(H2,20,21) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.20E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 (unknown origin) by sAPP_NF cell based assay |
Bioorg Med Chem Lett 19: 2977-80 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.033
BindingDB Entry DOI: 10.7270/Q2XS5V96 |
More data for this
Ligand-Target Pair | |
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