Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50031541 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)) | BDBM50314994
(2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pyrimidin-...)Show SMILES Nc1nc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)ccc1OCCO Show InChI InChI=1S/C28H24ClN5O3/c29-24-4-2-1-3-23(24)26-11-10-25(19-5-8-21(9-6-19)37-22-15-31-18-32-16-22)34(26)17-20-7-12-27(28(30)33-20)36-14-13-35/h1-12,15-16,18,35H,13-14,17H2,(H2,30,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50314993
(2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pyrimidin-...)Show SMILES Nc1nc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)ccc1NCCO Show InChI InChI=1S/C28H25ClN6O2/c29-24-4-2-1-3-23(24)27-12-11-26(19-5-8-21(9-6-19)37-22-15-31-18-32-16-22)35(27)17-20-7-10-25(28(30)34-20)33-13-14-36/h1-12,15-16,18,33,36H,13-14,17H2,(H2,30,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50315000
(6-((2-(2-chlorophenyl)-5-(4-(pyrimidin-5-yloxy)phe...)Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)n1 Show InChI InChI=1S/C26H20ClN5O/c27-23-6-2-1-5-22(23)25-13-12-24(32(25)16-19-4-3-7-26(28)31-19)18-8-10-20(11-9-18)33-21-14-29-17-30-15-21/h1-15,17H,16H2,(H2,28,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50314996
(2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)...)Show SMILES CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(OCCO)c(N)n1 Show InChI InChI=1S/C29H32ClN3O3/c1-2-3-6-18-35-23-12-9-21(10-13-23)26-14-15-27(24-7-4-5-8-25(24)30)33(26)20-22-11-16-28(29(31)32-22)36-19-17-34/h4-5,7-16,34H,2-3,6,17-20H2,1H3,(H2,31,32) | PDB
MMDB
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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 |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50314995
(2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)...)Show SMILES CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(NCCO)c(N)n1 Show InChI InChI=1S/C29H33ClN4O2/c1-2-3-6-19-36-23-12-9-21(10-13-23)27-15-16-28(24-7-4-5-8-25(24)30)34(27)20-22-11-14-26(29(31)33-22)32-17-18-35/h4-5,7-16,32,35H,2-3,6,17-20H2,1H3,(H2,31,33) | PDB
MMDB
KEGG
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50315008
(3-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)...)Show SMILES CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(NCCCO)c(N)n1 Show InChI InChI=1S/C30H35ClN4O2/c1-2-3-6-20-37-24-13-10-22(11-14-24)28-16-17-29(25-8-4-5-9-26(25)31)35(28)21-23-12-15-27(30(32)34-23)33-18-7-19-36/h4-5,8-17,33,36H,2-3,6-7,18-21H2,1H3,(H2,32,34) | PDB
MMDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50314998
(6-((2-(2-chlorophenyl)-5-(4-(thiophen-2-yloxy)phen...)Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cccs3)cc2)n1 Show InChI InChI=1S/C26H20ClN3OS/c27-22-7-2-1-6-21(22)24-15-14-23(30(24)17-19-5-3-8-25(28)29-19)18-10-12-20(13-11-18)31-26-9-4-16-32-26/h1-16H,17H2,(H2,28,29) | 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 | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50315010
(6-((2-(2-chlorophenyl)-5-(4-(pyridazin-3-yloxy)phe...)Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cccnn3)cc2)n1 Show InChI InChI=1S/C26H20ClN5O/c27-22-7-2-1-6-21(22)24-15-14-23(32(24)17-19-5-3-8-25(28)30-19)18-10-12-20(13-11-18)33-26-9-4-16-29-31-26/h1-16H,17H2,(H2,28,30) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50315012
(6-((2-(2-chlorophenyl)-5-(4-(pyridin-3-yloxy)pheny...)Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cccnc3)cc2)n1 Show InChI InChI=1S/C27H21ClN4O/c28-24-8-2-1-7-23(24)26-15-14-25(32(26)18-20-5-3-9-27(29)31-20)19-10-12-21(13-11-19)33-22-6-4-16-30-17-22/h1-17H,18H2,(H2,29,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50315004
(4-(4-(1-((6-aminopyridin-2-yl)methyl)-5-(2-chlorop...)Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(OCCCC#N)cc2)n1 Show InChI InChI=1S/C26H23ClN4O/c27-23-8-2-1-7-22(23)25-15-14-24(31(25)18-20-6-5-9-26(29)30-20)19-10-12-21(13-11-19)32-17-4-3-16-28/h1-2,5-15H,3-4,17-18H2,(H2,29,30) | PDB
MMDB
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PC cid
PC sid
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| MMDB
PDB
Article
PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50314999
(6-((2-(2-chlorophenyl)-5-(4-(pyrazin-2-yloxy)pheny...)Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cnccn3)cc2)n1 Show InChI InChI=1S/C26H20ClN5O/c27-22-6-2-1-5-21(22)24-13-12-23(32(24)17-19-4-3-7-25(28)31-19)18-8-10-20(11-9-18)33-26-16-29-14-15-30-26/h1-16H,17H2,(H2,28,31) | PDB
MMDB
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| 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 |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50315008
(3-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)...)Show SMILES CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(NCCCO)c(N)n1 Show InChI InChI=1S/C30H35ClN4O2/c1-2-3-6-20-37-24-13-10-22(11-14-24)28-16-17-29(25-8-4-5-9-26(25)31)35(28)21-23-12-15-27(30(32)34-23)33-18-7-19-36/h4-5,8-17,33,36H,2-3,6-7,18-21H2,1H3,(H2,32,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin D by FRET assay |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50315008
(3-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)...)Show SMILES CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(NCCCO)c(N)n1 Show InChI InChI=1S/C30H35ClN4O2/c1-2-3-6-20-37-24-13-10-22(11-14-24)28-16-17-29(25-8-4-5-9-26(25)31)35(28)21-23-12-15-27(30(32)34-23)33-18-7-19-36/h4-5,8-17,33,36H,2-3,6-7,18-21H2,1H3,(H2,32,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 by FRET assay |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50315005
(6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)phenyl)-1H-...)Show SMILES CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1cccc(N)n1 Show InChI InChI=1S/C27H28ClN3O/c1-2-3-6-18-32-22-14-12-20(13-15-22)25-16-17-26(23-9-4-5-10-24(23)28)31(25)19-21-8-7-11-27(29)30-21/h4-5,7-17H,2-3,6,18-19H2,1H3,(H2,29,30) | PDB
MMDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50315001
(6-((2-(2-chlorophenyl)-5-(4-(pyridin-4-yloxy)pheny...)Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3ccncc3)cc2)n1 Show InChI InChI=1S/C27H21ClN4O/c28-24-6-2-1-5-23(24)26-13-12-25(32(26)18-20-4-3-7-27(29)31-20)19-8-10-21(11-9-19)33-22-14-16-30-17-15-22/h1-17H,18H2,(H2,29,31) | PDB
MMDB
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50315003
(CHEMBL1092227 | N-allyl-4-(1-((6-aminopyridin-2-yl...)Show SMILES Nc1cccc(Cn2c(ccc2-c2ccc(cc2)C(=O)NCC=C)-c2ccccc2)n1 Show InChI InChI=1S/C26H24N4O/c1-2-17-28-26(31)21-13-11-20(12-14-21)24-16-15-23(19-7-4-3-5-8-19)30(24)18-22-9-6-10-25(27)29-22/h2-16H,1,17-18H2,(H2,27,29)(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 | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50315011
(6-((2-(2-chlorophenyl)-5-(4-(pyridin-2-yloxy)pheny...)Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3ccccn3)cc2)n1 Show InChI InChI=1S/C27H21ClN4O/c28-23-8-2-1-7-22(23)25-16-15-24(32(25)18-20-6-5-9-26(29)31-20)19-11-13-21(14-12-19)33-27-10-3-4-17-30-27/h1-17H,18H2,(H2,29,31) | PDB
MMDB
KEGG
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 810 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50315002
(6-((2-(2-chlorophenyl)-5-(4-phenoxyphenyl)-1H-pyrr...)Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3ccccc3)cc2)n1 Show InChI InChI=1S/C28H22ClN3O/c29-25-11-5-4-10-24(25)27-18-17-26(32(27)19-21-7-6-12-28(30)31-21)20-13-15-23(16-14-20)33-22-8-2-1-3-9-22/h1-18H,19H2,(H2,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50314997
(CHEMBL1093806 | N-(4-(1-((6-aminopyridin-2-yl)meth...)Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Nc3cncnc3)cc2)n1 Show InChI InChI=1S/C26H21ClN6/c27-23-6-2-1-5-22(23)25-13-12-24(33(25)16-20-4-3-7-26(28)32-20)18-8-10-19(11-9-18)31-21-14-29-17-30-15-21/h1-15,17,31H,16H2,(H2,28,32) | PDB
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UniChem
Patents
| Article
PubMed
| n/a | n/a | 980 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50314995
(2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)...)Show SMILES CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(NCCO)c(N)n1 Show InChI InChI=1S/C29H33ClN4O2/c1-2-3-6-19-36-23-12-9-21(10-13-23)27-15-16-28(24-7-4-5-8-25(24)30)34(27)20-22-11-14-26(29(31)33-22)32-17-18-35/h4-5,7-16,32,35H,2-3,6,17-20H2,1H3,(H2,31,33) | PDB
UniProtKB/SwissProt
antibodypedia
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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 |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 by FRET assay |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50315019
(6-((2-(2-chlorophenyl)-5-(4-propoxyphenyl)-1H-pyrr...)Show SMILES CCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1cccc(N)n1 Show InChI InChI=1S/C25H24ClN3O/c1-2-16-30-20-12-10-18(11-13-20)23-14-15-24(21-7-3-4-8-22(21)26)29(23)17-19-6-5-9-25(27)28-19/h3-15H,2,16-17H2,1H3,(H2,27,28) | PDB
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| Article
PubMed
| n/a | n/a | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50315014
(4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyr...)Show SMILES Nc1cccc(Cn2c(ccc2-c2ccc(cc2)C(=O)NC2CC2)-c2ccccc2)n1 Show InChI InChI=1S/C26H24N4O/c27-25-8-4-7-22(28-25)17-30-23(18-5-2-1-3-6-18)15-16-24(30)19-9-11-20(12-10-19)26(31)29-21-13-14-21/h1-12,15-16,21H,13-14,17H2,(H2,27,28)(H,29,31) | PDB
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Similars
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PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50315018
(6-((2-(4-butoxyphenyl)-5-(2-chlorophenyl)-1H-pyrro...)Show SMILES CCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1cccc(N)n1 Show InChI InChI=1S/C26H26ClN3O/c1-2-3-17-31-21-13-11-19(12-14-21)24-15-16-25(22-8-4-5-9-23(22)27)30(24)18-20-7-6-10-26(28)29-20/h4-16H,2-3,17-18H2,1H3,(H2,28,29) | PDB
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PubMed
| n/a | n/a | 1.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50315015
(4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyr...)Show SMILES CC(C)NC(=O)c1ccc(cc1)-c1ccc(-c2ccccc2)n1Cc1cccc(N)n1 Show InChI InChI=1S/C26H26N4O/c1-18(2)28-26(31)21-13-11-20(12-14-21)24-16-15-23(19-7-4-3-5-8-19)30(24)17-22-9-6-10-25(27)29-22/h3-16,18H,17H2,1-2H3,(H2,27,29)(H,28,31) | PDB
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Similars
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PubMed
| n/a | n/a | 1.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50315017
(4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyr...)Show SMILES CCNC(=O)c1ccc(cc1)-c1ccc(-c2ccccc2)n1Cc1cccc(N)n1 Show InChI InChI=1S/C25H24N4O/c1-2-27-25(30)20-13-11-19(12-14-20)23-16-15-22(18-7-4-3-5-8-18)29(23)17-21-9-6-10-24(26)28-21/h3-16H,2,17H2,1H3,(H2,26,28)(H,27,30) | PDB
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Similars
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PubMed
| n/a | n/a | 2.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50315006
(6-((2-(2-chlorophenyl)-5-(4-methoxyphenyl)-1H-pyrr...)Show SMILES COc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1cccc(N)n1 Show InChI InChI=1S/C23H20ClN3O/c1-28-18-11-9-16(10-12-18)21-13-14-22(19-6-2-3-7-20(19)24)27(21)15-17-5-4-8-23(25)26-17/h2-14H,15H2,1H3,(H2,25,26) | PDB
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PubMed
| n/a | n/a | 2.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50315016
(4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyr...)Show SMILES CCCCNC(=O)c1ccc(cc1)-c1ccc(-c2ccccc2)n1Cc1cccc(N)n1 Show InChI InChI=1S/C27H28N4O/c1-2-3-18-29-27(32)22-14-12-21(13-15-22)25-17-16-24(20-8-5-4-6-9-20)31(25)19-23-10-7-11-26(28)30-23/h4-17H,2-3,18-19H2,1H3,(H2,28,30)(H,29,32) | PDB
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50315009
(4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyr...)Show SMILES CCCNC(=O)c1ccc(cc1)-c1ccc(-c2ccccc2)n1Cc1cccc(N)n1 Show InChI InChI=1S/C26H26N4O/c1-2-17-28-26(31)21-13-11-20(12-14-21)24-16-15-23(19-7-4-3-5-8-19)30(24)18-22-9-6-10-25(27)29-22/h3-16H,2,17-18H2,1H3,(H2,27,29)(H,28,31) | PDB
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Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50315013
(4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyr...)Show SMILES Nc1cccc(Cn2c(ccc2-c2ccc(cc2)C(=O)NC2CCC2)-c2ccccc2)n1 Show InChI InChI=1S/C27H26N4O/c28-26-11-5-10-23(29-26)18-31-24(19-6-2-1-3-7-19)16-17-25(31)20-12-14-21(15-13-20)27(32)30-22-8-4-9-22/h1-3,5-7,10-17,22H,4,8-9,18H2,(H2,28,29)(H,30,32) | PDB
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Similars
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PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50315007
(6-((2,5-diphenyl-1H-pyrrol-1-yl)methyl)pyridin-2-a...)Show InChI InChI=1S/C22H19N3/c23-22-13-7-12-19(24-22)16-25-20(17-8-3-1-4-9-17)14-15-21(25)18-10-5-2-6-11-18/h1-15H,16H2,(H2,23,24) | PDB
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PubMed
| n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 expressed CHO cells by FRET assay |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50315004
(4-(4-(1-((6-aminopyridin-2-yl)methyl)-5-(2-chlorop...)Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(OCCCC#N)cc2)n1 Show InChI InChI=1S/C26H23ClN4O/c27-23-8-2-1-7-22(23)25-15-14-24(31(25)18-20-6-5-9-26(29)30-20)19-10-12-21(13-11-19)32-17-4-3-16-28/h1-2,5-15H,3-4,17-18H2,(H2,29,30) | PDB
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Similars
| Article
PubMed
| n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 by FRET assay |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50315003
(CHEMBL1092227 | N-allyl-4-(1-((6-aminopyridin-2-yl...)Show SMILES Nc1cccc(Cn2c(ccc2-c2ccc(cc2)C(=O)NCC=C)-c2ccccc2)n1 Show InChI InChI=1S/C26H24N4O/c1-2-17-28-26(31)21-13-11-20(12-14-21)24-16-15-23(19-7-4-3-5-8-19)30(24)18-22-9-6-10-25(27)29-22/h2-16H,1,17-18H2,(H2,27,29)(H,28,31) | PDB
MMDB
NCI pathway
Reactome pathway
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin D by FRET assay |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50315009
(4-(1-((6-aminopyridin-2-yl)methyl)-5-phenyl-1H-pyr...)Show SMILES CCCNC(=O)c1ccc(cc1)-c1ccc(-c2ccccc2)n1Cc1cccc(N)n1 Show InChI InChI=1S/C26H26N4O/c1-2-17-28-26(31)21-13-11-20(12-14-21)24-16-15-23(19-7-4-3-5-8-19)30(24)18-22-9-6-10-25(27)29-22/h3-16H,2,17-18H2,1H3,(H2,27,29)(H,28,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.43E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin D by FRET assay |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50314999
(6-((2-(2-chlorophenyl)-5-(4-(pyrazin-2-yloxy)pheny...)Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cnccn3)cc2)n1 Show InChI InChI=1S/C26H20ClN5O/c27-22-6-2-1-5-21(22)24-13-12-23(32(24)17-19-4-3-7-25(28)31-19)18-8-10-20(11-9-18)33-26-16-29-14-15-30-26/h1-16H,17H2,(H2,28,31) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.33E+4 | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50315000
(6-((2-(2-chlorophenyl)-5-(4-(pyrimidin-5-yloxy)phe...)Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)n1 Show InChI InChI=1S/C26H20ClN5O/c27-23-6-2-1-5-22(23)25-13-12-24(32(25)16-19-4-3-7-26(28)31-19)18-8-10-20(11-9-18)33-21-14-29-17-30-15-21/h1-15,17H,16H2,(H2,28,31) | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50315001
(6-((2-(2-chlorophenyl)-5-(4-(pyridin-4-yloxy)pheny...)Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3ccncc3)cc2)n1 Show InChI InChI=1S/C27H21ClN4O/c28-24-6-2-1-5-23(24)26-13-12-25(32(26)18-20-4-3-7-27(29)31-20)19-8-10-21(11-9-19)33-22-14-16-30-17-15-22/h1-17H,18H2,(H2,29,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50315002
(6-((2-(2-chlorophenyl)-5-(4-phenoxyphenyl)-1H-pyrr...)Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3ccccc3)cc2)n1 Show InChI InChI=1S/C28H22ClN3O/c29-25-11-5-4-10-24(25)27-18-17-26(32(27)19-21-7-6-12-28(30)31-21)20-13-15-23(16-14-20)33-22-8-2-1-3-9-22/h1-18H,19H2,(H2,30,31) | PDB
MMDB
Reactome pathway
KEGG
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| Article
PubMed
| n/a | n/a | n/a | n/a | 9.20E+3 | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50315003
(CHEMBL1092227 | N-allyl-4-(1-((6-aminopyridin-2-yl...)Show SMILES Nc1cccc(Cn2c(ccc2-c2ccc(cc2)C(=O)NCC=C)-c2ccccc2)n1 Show InChI InChI=1S/C26H24N4O/c1-2-17-28-26(31)21-13-11-20(12-14-21)24-16-15-23(19-7-4-3-5-8-19)30(24)18-22-9-6-10-25(27)29-22/h2-16H,1,17-18H2,(H2,27,29)(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50315004
(4-(4-(1-((6-aminopyridin-2-yl)methyl)-5-(2-chlorop...)Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(OCCCC#N)cc2)n1 Show InChI InChI=1S/C26H23ClN4O/c27-23-8-2-1-7-22(23)25-15-14-24(31(25)18-20-6-5-9-26(29)30-20)19-10-12-21(13-11-19)32-17-4-3-16-28/h1-2,5-15H,3-4,17-18H2,(H2,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50315005
(6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)phenyl)-1H-...)Show SMILES CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1cccc(N)n1 Show InChI InChI=1S/C27H28ClN3O/c1-2-3-6-18-32-22-14-12-20(13-15-22)25-16-17-26(23-9-4-5-10-24(23)28)31(25)19-21-8-7-11-27(29)30-21/h4-5,7-17H,2-3,6,18-19H2,1H3,(H2,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50315006
(6-((2-(2-chlorophenyl)-5-(4-methoxyphenyl)-1H-pyrr...)Show SMILES COc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1cccc(N)n1 Show InChI InChI=1S/C23H20ClN3O/c1-28-18-11-9-16(10-12-18)21-13-14-22(19-6-2-3-7-20(19)24)27(21)15-17-5-4-8-23(25)26-17/h2-14H,15H2,1H3,(H2,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50315007
(6-((2,5-diphenyl-1H-pyrrol-1-yl)methyl)pyridin-2-a...)Show InChI InChI=1S/C22H19N3/c23-22-13-7-12-19(24-22)16-25-20(17-8-3-1-4-9-17)14-15-21(25)18-10-5-2-6-11-18/h1-15H,16H2,(H2,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.54E+4 | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50314998
(6-((2-(2-chlorophenyl)-5-(4-(thiophen-2-yloxy)phen...)Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cccs3)cc2)n1 Show InChI InChI=1S/C26H20ClN3OS/c27-22-7-2-1-6-21(22)24-15-14-23(30(24)17-19-5-3-8-25(28)29-19)18-10-12-20(13-11-18)31-26-9-4-16-32-26/h1-16H,17H2,(H2,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.18E+4 | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50314997
(CHEMBL1093806 | N-(4-(1-((6-aminopyridin-2-yl)meth...)Show SMILES Nc1cccc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Nc3cncnc3)cc2)n1 Show InChI InChI=1S/C26H21ClN6/c27-23-6-2-1-5-22(23)25-13-12-24(33(25)16-20-4-3-7-26(28)32-20)18-8-10-19(11-9-18)31-21-14-29-17-30-15-21/h1-15,17,31H,16H2,(H2,28,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | n/a | n/a | 8.60E+3 | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50314996
(2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)...)Show SMILES CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(OCCO)c(N)n1 Show InChI InChI=1S/C29H32ClN3O3/c1-2-3-6-18-35-23-12-9-21(10-13-23)26-14-15-27(24-7-4-5-8-25(24)30)33(26)20-22-11-16-28(29(31)32-22)36-19-17-34/h4-5,7-16,34H,2-3,6,17-20H2,1H3,(H2,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.36E+4 | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50314993
(2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pyrimidin-...)Show SMILES Nc1nc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)ccc1NCCO Show InChI InChI=1S/C28H25ClN6O2/c29-24-4-2-1-3-23(24)27-12-11-26(19-5-8-21(9-6-19)37-22-15-31-18-32-16-22)35(27)17-20-7-10-25(28(30)34-20)33-13-14-36/h1-12,15-16,18,33,36H,13-14,17H2,(H2,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 190 | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50314994
(2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pyrimidin-...)Show SMILES Nc1nc(Cn2c(ccc2-c2ccccc2Cl)-c2ccc(Oc3cncnc3)cc2)ccc1OCCO Show InChI InChI=1S/C28H24ClN5O3/c29-24-4-2-1-3-23(24)26-11-10-25(19-5-8-21(9-6-19)37-22-15-31-18-32-16-22)34(26)17-20-7-12-27(28(30)33-20)36-14-13-35/h1-12,15-16,18,35H,13-14,17H2,(H2,30,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 440 | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM50314995
(2-(2-amino-6-((2-(2-chlorophenyl)-5-(4-(pentyloxy)...)Show SMILES CCCCCOc1ccc(cc1)-c1ccc(-c2ccccc2Cl)n1Cc1ccc(NCCO)c(N)n1 Show InChI InChI=1S/C29H33ClN4O2/c1-2-3-6-19-36-23-12-9-21(10-13-23)27-15-16-28(24-7-4-5-8-25(24)30)34(27)20-22-11-14-26(29(31)33-22)32-17-18-35/h4-5,7-16,32,35H,2-3,6,17-20H2,1H3,(H2,31,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant APP in CHO cells assessed as decrease in beta amyloid protein level by ELISA |
Bioorg Med Chem Lett 20: 2068-73 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.075
BindingDB Entry DOI: 10.7270/Q2PG1RWS |
More data for this
Ligand-Target Pair | |
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