Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50017314 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)) | BDBM50180393
(CHEMBL205309 | tert-butyl 4-(4-bromo-2-(2-(7-metho...)Show SMILES COc1ccc2c(CC(=O)Nc3cc(Br)ccc3N3CCN(CC3)C(=O)OC(C)(C)C)cc(=O)oc2c1 Show InChI InChI=1S/C27H30BrN3O6/c1-27(2,3)37-26(34)31-11-9-30(10-12-31)22-8-5-18(28)15-21(22)29-24(32)13-17-14-25(33)36-23-16-19(35-4)6-7-20(17)23/h5-8,14-16H,9-13H2,1-4H3,(H,29,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 activity by FRET assay |
Bioorg Med Chem Lett 16: 1995-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.064
BindingDB Entry DOI: 10.7270/Q29W0F2N |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM16741
(2,2,2-trifluoroacetic acid; N-[5-bromo-2-(piperazi...)Show SMILES Brc1ccc(N2CCNCC2)c(NC(=O)c2cc3ccccc3oc2=O)c1 Show InChI InChI=1S/C20H18BrN3O3/c21-14-5-6-17(24-9-7-22-8-10-24)16(12-14)23-19(25)15-11-13-3-1-2-4-18(13)27-20(15)26/h1-6,11-12,22H,7-10H2,(H,23,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 activity by FRET assay |
Bioorg Med Chem Lett 16: 1995-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.064
BindingDB Entry DOI: 10.7270/Q29W0F2N |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM16740
(CHEMBL206442 | Coumarin Compound, 9c | N-[2-(4-ben...)Show SMILES Brc1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cc3ccccc3oc2=O)c1 Show InChI InChI=1S/C27H24BrN3O3/c28-21-10-11-24(31-14-12-30(13-15-31)18-19-6-2-1-3-7-19)23(17-21)29-26(32)22-16-20-8-4-5-9-25(20)34-27(22)33/h1-11,16-17H,12-15,18H2,(H,29,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 activity by FRET assay |
Bioorg Med Chem Lett 16: 1995-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.064
BindingDB Entry DOI: 10.7270/Q29W0F2N |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM16739
(CHEMBL207083 | Coumarin Compound, 9b | tert-butyl ...)Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2oc1=O Show InChI InChI=1S/C25H26BrN3O5/c1-25(2,3)34-24(32)29-12-10-28(11-13-29)20-9-8-17(26)15-19(20)27-22(30)18-14-16-6-4-5-7-21(16)33-23(18)31/h4-9,14-15H,10-13H2,1-3H3,(H,27,30) | PDB
MMDB
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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 |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 activity by FRET assay |
Bioorg Med Chem Lett 16: 1995-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.064
BindingDB Entry DOI: 10.7270/Q29W0F2N |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM16726
(CHEMBL203120 | N-[5-bromo-2-(piperazin-1-yl)phenyl...)Show InChI InChI=1S/C21H20BrN3O/c22-16-8-9-20(25-12-10-23-11-13-25)19(14-16)24-21(26)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,14,23H,10-13H2,(H,24,26) | PDB
MMDB
KEGG
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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 |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 activity by FRET assay |
Bioorg Med Chem Lett 16: 1995-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.064
BindingDB Entry DOI: 10.7270/Q29W0F2N |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50180395
(CHEMBL205637 | N-(5-bromo-2-(4-(thiophen-2-ylsulfo...)Show SMILES COc1ccc2c(CC(=O)Nc3cc(Br)ccc3N3CCN(CC3)S(=O)(=O)c3cccs3)cc(=O)oc2c1 Show InChI InChI=1S/C26H24BrN3O6S2/c1-35-19-5-6-20-17(14-25(32)36-23(20)16-19)13-24(31)28-21-15-18(27)4-7-22(21)29-8-10-30(11-9-29)38(33,34)26-3-2-12-37-26/h2-7,12,14-16H,8-11,13H2,1H3,(H,28,31) | PDB
MMDB
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UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 activity by FRET assay |
Bioorg Med Chem Lett 16: 1995-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.064
BindingDB Entry DOI: 10.7270/Q29W0F2N |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50180396
(4-Oxo-4H-chromene-2-carboxylic acid (5-bromo-2-pip...)Show SMILES Brc1ccc(N2CCNCC2)c(NC(=O)c2cc(=O)c3ccccc3o2)c1 Show InChI InChI=1S/C20H18BrN3O3/c21-13-5-6-16(24-9-7-22-8-10-24)15(11-13)23-20(26)19-12-17(25)14-3-1-2-4-18(14)27-19/h1-6,11-12,22H,7-10H2,(H,23,26) | PDB
MMDB
KEGG
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 activity by FRET assay |
Bioorg Med Chem Lett 16: 1995-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.064
BindingDB Entry DOI: 10.7270/Q29W0F2N |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM16724
(CHEMBL381618 | Naphthyl Compound, 3b | tert-butyl ...)Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cccc2ccccc12 Show InChI InChI=1S/C26H28BrN3O3/c1-26(2,3)33-25(32)30-15-13-29(14-16-30)23-12-11-19(27)17-22(23)28-24(31)21-10-6-8-18-7-4-5-9-20(18)21/h4-12,17H,13-16H2,1-3H3,(H,28,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 activity by FRET assay |
Bioorg Med Chem Lett 16: 1995-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.064
BindingDB Entry DOI: 10.7270/Q29W0F2N |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50180394
(CHEMBL205241 | N-(5-bromo-2-piperazin-1-yl-phenyl)...)Show SMILES COc1ccc2c(CC(=O)Nc3cc(Br)ccc3N3CCNCC3)cc(=O)oc2c1 Show InChI InChI=1S/C22H22BrN3O4/c1-29-16-3-4-17-14(11-22(28)30-20(17)13-16)10-21(27)25-18-12-15(23)2-5-19(18)26-8-6-24-7-9-26/h2-5,11-13,24H,6-10H2,1H3,(H,25,27) | PDB
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 activity by FRET assay |
Bioorg Med Chem Lett 16: 1995-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.064
BindingDB Entry DOI: 10.7270/Q29W0F2N |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50180391
(CHEMBL206651 | tert-butyl 4-(4-bromo-2-(quinoline-...)Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C25H27BrN4O3/c1-25(2,3)33-24(32)30-14-12-29(13-15-30)22-11-9-18(26)16-21(22)28-23(31)20-10-8-17-6-4-5-7-19(17)27-20/h4-11,16H,12-15H2,1-3H3,(H,28,31) | PDB
MMDB
KEGG
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 activity by FRET assay |
Bioorg Med Chem Lett 16: 1995-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.064
BindingDB Entry DOI: 10.7270/Q29W0F2N |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50180398
(CHEMBL206665 | tert-butyl 4-(4-bromo-2-(4-oxo-4H-c...)Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C25H26BrN3O5/c1-25(2,3)34-24(32)29-12-10-28(11-13-29)19-9-8-16(26)14-18(19)27-23(31)22-15-20(30)17-6-4-5-7-21(17)33-22/h4-9,14-15H,10-13H2,1-3H3,(H,27,31) | PDB
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 activity by FRET assay |
Bioorg Med Chem Lett 16: 1995-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.064
BindingDB Entry DOI: 10.7270/Q29W0F2N |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM16744
(CHEMBL206854 | Coumarin Compound, 10b | tert-butyl...)Show SMILES COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCN(CC3)C(=O)OC(C)(C)C)c(=O)oc12 Show InChI InChI=1S/C26H28BrN3O6/c1-26(2,3)36-25(33)30-12-10-29(11-13-30)20-9-8-17(27)15-19(20)28-23(31)18-14-16-6-5-7-21(34-4)22(16)35-24(18)32/h5-9,14-15H,10-13H2,1-4H3,(H,28,31) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 activity by FRET assay |
Bioorg Med Chem Lett 16: 1995-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.064
BindingDB Entry DOI: 10.7270/Q29W0F2N |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50180399
(CHEMBL206097 | N-(5-bromo-2-(4-(thiophen-2-ylsulfo...)Show SMILES Brc1ccc(N2CCN(CC2)S(=O)(=O)c2cccs2)c(NC(=O)c2cc(=O)c3ccccc3o2)c1 Show InChI InChI=1S/C24H20BrN3O5S2/c25-16-7-8-19(27-9-11-28(12-10-27)35(31,32)23-6-3-13-34-23)18(14-16)26-24(30)22-15-20(29)17-4-1-2-5-21(17)33-22/h1-8,13-15H,9-12H2,(H,26,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 activity by FRET assay |
Bioorg Med Chem Lett 16: 1995-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.064
BindingDB Entry DOI: 10.7270/Q29W0F2N |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50180392
(CHEMBL377745 | quinoline-2-carboxylic acid (5-brom...)Show InChI InChI=1S/C20H19BrN4O/c21-15-6-8-19(25-11-9-22-10-12-25)18(13-15)24-20(26)17-7-5-14-3-1-2-4-16(14)23-17/h1-8,13,22H,9-12H2,(H,24,26) | PDB
MMDB
KEGG
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B.MOAD
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 activity by FRET assay |
Bioorg Med Chem Lett 16: 1995-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.064
BindingDB Entry DOI: 10.7270/Q29W0F2N |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM16746
(2,2,2-trifluoroacetic acid; N-[5-bromo-2-(piperazi...)Show SMILES COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCNCC3)c(=O)oc12 Show InChI InChI=1S/C21H20BrN3O4/c1-28-18-4-2-3-13-11-15(21(27)29-19(13)18)20(26)24-16-12-14(22)5-6-17(16)25-9-7-23-8-10-25/h2-6,11-12,23H,7-10H2,1H3,(H,24,26) | PDB
MMDB
KEGG
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B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 activity by FRET assay |
Bioorg Med Chem Lett 16: 1995-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.064
BindingDB Entry DOI: 10.7270/Q29W0F2N |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM16725
(CHEMBL380521 | N-[2-(4-benzylpiperazin-1-yl)-5-bro...)Show SMILES Brc1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cccc3ccccc23)c1 Show InChI InChI=1S/C28H26BrN3O/c29-23-13-14-27(32-17-15-31(16-18-32)20-21-7-2-1-3-8-21)26(19-23)30-28(33)25-12-6-10-22-9-4-5-11-24(22)25/h1-14,19H,15-18,20H2,(H,30,33) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 activity by FRET assay |
Bioorg Med Chem Lett 16: 1995-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.064
BindingDB Entry DOI: 10.7270/Q29W0F2N |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM16745
(CHEMBL381617 | Coumarin Compound, 10c | N-[2-(4-be...)Show SMILES COc1cccc2cc(C(=O)Nc3cc(Br)ccc3N3CCN(Cc4ccccc4)CC3)c(=O)oc12 Show InChI InChI=1S/C28H26BrN3O4/c1-35-25-9-5-8-20-16-22(28(34)36-26(20)25)27(33)30-23-17-21(29)10-11-24(23)32-14-12-31(13-15-32)18-19-6-3-2-4-7-19/h2-11,16-17H,12-15,18H2,1H3,(H,30,33) | PDB
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 activity by FRET assay |
Bioorg Med Chem Lett 16: 1995-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.064
BindingDB Entry DOI: 10.7270/Q29W0F2N |
More data for this
Ligand-Target Pair | |
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