Found 38 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)) | BDBM15797
((1S,2R)-N-[1-(3,5-Difluorobenzyl)-2-hydroxy-3-(3-i...)Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(I)c1 |r| Show InChI InChI=1S/C32H38F2IN3O3/c1-4-9-38(10-5-2)32(41)25-12-21(3)11-24(17-25)31(40)37-29(16-23-13-26(33)18-27(34)14-23)30(39)20-36-19-22-7-6-8-28(35)15-22/h6-8,11-15,17-18,29-30,36,39H,4-5,9-10,16,19-20H2,1-3H3,(H,37,40)/t29-,30+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cathepsin D
(Homo sapiens (Human)) | BDBM50196587
(CHEMBL253800 | benzyl 1-((2S,3R)-4-(3-methoxybenzy...)Show SMILES CCCC(CCC)S(=O)(=O)CC(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 Show InChI InChI=1S/C36H49N3O7S/c1-4-13-31(14-5-2)47(43,44)26-33(39-36(42)46-25-28-17-10-7-11-18-28)35(41)38-32(22-27-15-8-6-9-16-27)34(40)24-37-23-29-19-12-20-30(21-29)45-3/h6-12,15-21,31-34,37,40H,4-5,13-14,22-26H2,1-3H3,(H,38,41)(H,39,42)/t32-,33?,34+/m0/s1 | PDB
MMDB
NCI pathway
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 | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin D |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50196587
(CHEMBL253800 | benzyl 1-((2S,3R)-4-(3-methoxybenzy...)Show SMILES CCCC(CCC)S(=O)(=O)CC(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 Show InChI InChI=1S/C36H49N3O7S/c1-4-13-31(14-5-2)47(43,44)26-33(39-36(42)46-25-28-17-10-7-11-18-28)35(41)38-32(22-27-15-8-6-9-16-27)34(40)24-37-23-29-19-12-20-30(21-29)45-3/h6-12,15-21,31-34,37,40H,4-5,13-14,22-26H2,1-3H3,(H,38,41)(H,39,42)/t32-,33?,34+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 112 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50196574
(CHEMBL253165 | N-[(1S,2R)-1-benzyl-2-hydroxy-3-(3-...)Show SMILES CCCCN(CCCC)S(=O)(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 Show InChI InChI=1S/C29H45N3O5S/c1-4-6-17-32(18-7-5-2)38(35,36)19-16-29(34)31-27(21-24-12-9-8-10-13-24)28(33)23-30-22-25-14-11-15-26(20-25)37-3/h8-15,20,27-28,30,33H,4-7,16-19,21-23H2,1-3H3,(H,31,34)/t27-,28+/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 | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human BACE in HEK293 cells by Swedish amyloid inhibition assay |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50196582
(CHEMBL254625 | N1-((2S,3R)-4-(3-iodobenzylamino)-3...)Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(I)c1 Show InChI InChI=1S/C31H38IN3O3/c1-3-16-35(17-4-2)31(38)26-14-9-13-25(20-26)30(37)34-28(19-23-10-6-5-7-11-23)29(36)22-33-21-24-12-8-15-27(32)18-24/h5-15,18,20,28-29,33,36H,3-4,16-17,19,21-22H2,1-2H3,(H,34,37)/t28-,29+/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 | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50196586
(CHEMBL401141 | N-((2S,3R)-4-(3-methoxybenzylamino)...)Show SMILES CCCC(CCC)S(=O)(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 Show InChI InChI=1S/C28H42N2O5S/c1-4-10-25(11-5-2)36(33,34)17-16-28(32)30-26(19-22-12-7-6-8-13-22)27(31)21-29-20-23-14-9-15-24(18-23)35-3/h6-9,12-15,18,25-27,29,31H,4-5,10-11,16-17,19-21H2,1-3H3,(H,30,32)/t26-,27+/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 | 314 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human BACE in HEK293 cells by Swedish amyloid inhibition assay |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50196574
(CHEMBL253165 | N-[(1S,2R)-1-benzyl-2-hydroxy-3-(3-...)Show SMILES CCCCN(CCCC)S(=O)(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 Show InChI InChI=1S/C29H45N3O5S/c1-4-6-17-32(18-7-5-2)38(35,36)19-16-29(34)31-27(21-24-12-9-8-10-13-24)28(33)23-30-22-25-14-11-15-26(20-25)37-3/h8-15,20,27-28,30,33H,4-7,16-19,21-23H2,1-3H3,(H,31,34)/t27-,28+/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 | 484 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50196578
(3-[({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZY...)Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 Show InChI InChI=1S/C32H41N3O4/c1-4-17-35(18-5-2)32(38)27-15-10-14-26(21-27)31(37)34-29(20-24-11-7-6-8-12-24)30(36)23-33-22-25-13-9-16-28(19-25)39-3/h6-16,19,21,29-30,33,36H,4-5,17-18,20,22-23H2,1-3H3,(H,34,37)/t29-,30+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50196586
(CHEMBL401141 | N-((2S,3R)-4-(3-methoxybenzylamino)...)Show SMILES CCCC(CCC)S(=O)(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 Show InChI InChI=1S/C28H42N2O5S/c1-4-10-25(11-5-2)36(33,34)17-16-28(32)30-26(19-22-12-7-6-8-13-22)27(31)21-29-20-23-14-9-15-24(18-23)35-3/h6-9,12-15,18,25-27,29,31H,4-5,10-11,16-17,19-21H2,1-3H3,(H,30,32)/t26-,27+/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 | 596 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50196576
(CHEMBL252961 | N-[(1S,2R)-1-benzyl-2-hydroxy-3-(3-...)Show SMILES CCCN(CCC)S(=O)(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 Show InChI InChI=1S/C27H41N3O5S/c1-4-15-30(16-5-2)36(33,34)17-14-27(32)29-25(19-22-10-7-6-8-11-22)26(31)21-28-20-23-12-9-13-24(18-23)35-3/h6-13,18,25-26,28,31H,4-5,14-17,19-21H2,1-3H3,(H,29,32)/t25-,26+/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 | 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50196580
(CHEMBL401338 | N-[(1S,2R)-1-benzyl-2-hydroxy-3-(3-...)Show SMILES COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCS(=O)(=O)NCCC(C)C)c1 Show InChI InChI=1S/C26H39N3O5S/c1-20(2)12-14-28-35(32,33)15-13-26(31)29-24(17-21-8-5-4-6-9-21)25(30)19-27-18-22-10-7-11-23(16-22)34-3/h4-11,16,20,24-25,27-28,30H,12-15,17-19H2,1-3H3,(H,29,31)/t24-,25+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin D |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50196592
(CHEMBL398925 | N-((2S,3R)-4-(3-methoxybenzylamino)...)Show SMILES COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCS(=O)(=O)C2CCCCC2)c1 Show InChI InChI=1S/C27H38N2O5S/c1-34-23-12-8-11-22(17-23)19-28-20-26(30)25(18-21-9-4-2-5-10-21)29-27(31)15-16-35(32,33)24-13-6-3-7-14-24/h2,4-5,8-12,17,24-26,28,30H,3,6-7,13-16,18-20H2,1H3,(H,29,31)/t25-,26+/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 | 3.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50196584
(CHEMBL252960 | N-((2S,3R)-4-(3-methoxybenzylamino)...)Show SMILES COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCS(=O)(=O)N2CCCCC2)c1 Show InChI InChI=1S/C26H37N3O5S/c1-34-23-12-8-11-22(17-23)19-27-20-25(30)24(18-21-9-4-2-5-10-21)28-26(31)13-16-35(32,33)29-14-6-3-7-15-29/h2,4-5,8-12,17,24-25,27,30H,3,6-7,13-16,18-20H2,1H3,(H,28,31)/t24-,25+/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 | 3.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50196591
(CHEMBL254626 | N-((2S,3R)-4-(3-iodobenzylamino)-1-...)Show SMILES Cc1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(I)c1 Show InChI InChI=1S/C25H25F2IN2O2/c1-16-4-2-6-19(8-16)25(32)30-23(12-18-9-20(26)13-21(27)10-18)24(31)15-29-14-17-5-3-7-22(28)11-17/h2-11,13,23-24,29,31H,12,14-15H2,1H3,(H,30,32)/t23-,24+/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 | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50196575
(CHEMBL252547 | N-((2S,3R)-4-(3-methoxybenzylamino)...)Show SMILES COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCCS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C28H34N2O5S/c1-35-24-13-8-12-23(18-24)20-29-21-27(31)26(19-22-10-4-2-5-11-22)30-28(32)16-9-17-36(33,34)25-14-6-3-7-15-25/h2-8,10-15,18,26-27,29,31H,9,16-17,19-21H2,1H3,(H,30,32)/t26-,27+/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 | 4.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50196574
(CHEMBL253165 | N-[(1S,2R)-1-benzyl-2-hydroxy-3-(3-...)Show SMILES CCCCN(CCCC)S(=O)(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 Show InChI InChI=1S/C29H45N3O5S/c1-4-6-17-32(18-7-5-2)38(35,36)19-16-29(34)31-27(21-24-12-9-8-10-13-24)28(33)23-30-22-25-14-11-15-26(20-25)37-3/h8-15,20,27-28,30,33H,4-7,16-19,21-23H2,1-3H3,(H,31,34)/t27-,28+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.88E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin D |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50196576
(CHEMBL252961 | N-[(1S,2R)-1-benzyl-2-hydroxy-3-(3-...)Show SMILES CCCN(CCC)S(=O)(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 Show InChI InChI=1S/C27H41N3O5S/c1-4-15-30(16-5-2)36(33,34)17-14-27(32)29-25(19-22-10-7-6-8-11-22)26(31)21-28-20-23-12-9-13-24(18-23)35-3/h6-13,18,25-26,28,31H,4-5,14-17,19-21H2,1-3H3,(H,29,32)/t25-,26+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin D |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50196580
(CHEMBL401338 | N-[(1S,2R)-1-benzyl-2-hydroxy-3-(3-...)Show SMILES COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCS(=O)(=O)NCCC(C)C)c1 Show InChI InChI=1S/C26H39N3O5S/c1-20(2)12-14-28-35(32,33)15-13-26(31)29-24(17-21-8-5-4-6-9-21)25(30)19-27-18-22-10-7-11-23(16-22)34-3/h4-11,16,20,24-25,27-28,30H,12-15,17-19H2,1-3H3,(H,29,31)/t24-,25+/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 | 5.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50196589
(CHEMBL437961 | N-((2S,3R)-4-(3-methoxybenzylamino)...)Show SMILES COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C27H32N2O5S/c1-34-23-12-8-11-22(17-23)19-28-20-26(30)25(18-21-9-4-2-5-10-21)29-27(31)15-16-35(32,33)24-13-6-3-7-14-24/h2-14,17,25-26,28,30H,15-16,18-20H2,1H3,(H,29,31)/t25-,26+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50196583
(CHEMBL252755 | N-((2S,3R)-4-(3-methoxybenzylamino)...)Show SMILES CCCC(C)S(=O)(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 |w:3.3| Show InChI InChI=1S/C26H38N2O5S/c1-4-9-20(2)34(31,32)15-14-26(30)28-24(17-21-10-6-5-7-11-21)25(29)19-27-18-22-12-8-13-23(16-22)33-3/h5-8,10-13,16,20,24-25,27,29H,4,9,14-15,17-19H2,1-3H3,(H,28,30)/t20?,24-,25+/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 | 5.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50196589
(CHEMBL437961 | N-((2S,3R)-4-(3-methoxybenzylamino)...)Show SMILES COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C27H32N2O5S/c1-34-23-12-8-11-22(17-23)19-28-20-26(30)25(18-21-9-4-2-5-10-21)29-27(31)15-16-35(32,33)24-13-6-3-7-14-24/h2-14,17,25-26,28,30H,15-16,18-20H2,1H3,(H,29,31)/t25-,26+/m0/s1 | PDB
MMDB
NCI pathway
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 | 6.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin D |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50196577
(CHEMBL252756 | N-((2S,3R)-4-(3-methoxybenzylamino)...)Show SMILES COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCCS(=O)(=O)N2CCCCC2)c1 Show InChI InChI=1S/C27H39N3O5S/c1-35-24-13-8-12-23(18-24)20-28-21-26(31)25(19-22-10-4-2-5-11-22)29-27(32)14-9-17-36(33,34)30-15-6-3-7-16-30/h2,4-5,8,10-13,18,25-26,28,31H,3,6-7,9,14-17,19-21H2,1H3,(H,29,32)/t25-,26+/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 | 6.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50196592
(CHEMBL398925 | N-((2S,3R)-4-(3-methoxybenzylamino)...)Show SMILES COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCS(=O)(=O)C2CCCCC2)c1 Show InChI InChI=1S/C27H38N2O5S/c1-34-23-12-8-11-22(17-23)19-28-20-26(30)25(18-21-9-4-2-5-10-21)29-27(31)15-16-35(32,33)24-13-6-3-7-14-24/h2,4-5,8-12,17,24-26,28,30H,3,6-7,13-16,18-20H2,1H3,(H,29,31)/t25-,26+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin D |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50196579
(CHEMBL252549 | N-((2S,3R)-4-(3-methoxybenzylamino)...)Show SMILES COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCS(C)(=O)=O)c1 Show InChI InChI=1S/C22H30N2O5S/c1-29-19-10-6-9-18(13-19)15-23-16-21(25)20(14-17-7-4-3-5-8-17)24-22(26)11-12-30(2,27)28/h3-10,13,20-21,23,25H,11-12,14-16H2,1-2H3,(H,24,26)/t20-,21+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin D |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50196581
(CHEMBL252962 | N-[(1S,2R)-1-benzyl-2-hydroxy-3-(3-...)Show SMILES CCCN(CCC)S(=O)(=O)CCCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 Show InChI InChI=1S/C28H43N3O5S/c1-4-16-31(17-5-2)37(34,35)18-10-15-28(33)30-26(20-23-11-7-6-8-12-23)27(32)22-29-21-24-13-9-14-25(19-24)36-3/h6-9,11-14,19,26-27,29,32H,4-5,10,15-18,20-22H2,1-3H3,(H,30,33)/t26-,27+/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 | 7.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50196586
(CHEMBL401141 | N-((2S,3R)-4-(3-methoxybenzylamino)...)Show SMILES CCCC(CCC)S(=O)(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 Show InChI InChI=1S/C28H42N2O5S/c1-4-10-25(11-5-2)36(33,34)17-16-28(32)30-26(19-22-12-7-6-8-13-22)27(31)21-29-20-23-14-9-15-24(18-23)35-3/h6-9,12-15,18,25-27,29,31H,4-5,10-11,16-17,19-21H2,1-3H3,(H,30,32)/t26-,27+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin D |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50196583
(CHEMBL252755 | N-((2S,3R)-4-(3-methoxybenzylamino)...)Show SMILES CCCC(C)S(=O)(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 |w:3.3| Show InChI InChI=1S/C26H38N2O5S/c1-4-9-20(2)34(31,32)15-14-26(30)28-24(17-21-10-6-5-7-11-21)25(29)19-27-18-22-12-8-13-23(16-22)33-3/h5-8,10-13,16,20,24-25,27,29H,4,9,14-15,17-19H2,1-3H3,(H,28,30)/t20?,24-,25+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin D |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50196588
(CHEMBL399749 | N-((2S,3R)-4-(3-methoxybenzylamino)...)Show SMILES COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C29H36N2O5S/c1-36-25-14-10-13-24(19-25)21-30-22-28(32)27(20-23-11-4-2-5-12-23)31-29(33)17-8-9-18-37(34,35)26-15-6-3-7-16-26/h2-7,10-16,19,27-28,30,32H,8-9,17-18,20-22H2,1H3,(H,31,33)/t27-,28+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin D |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50196581
(CHEMBL252962 | N-[(1S,2R)-1-benzyl-2-hydroxy-3-(3-...)Show SMILES CCCN(CCC)S(=O)(=O)CCCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(OC)c1 Show InChI InChI=1S/C28H43N3O5S/c1-4-16-31(17-5-2)37(34,35)18-10-15-28(33)30-26(20-23-11-7-6-8-12-23)27(32)22-29-21-24-13-9-14-25(19-24)36-3/h6-9,11-14,19,26-27,29,32H,4-5,10,15-18,20-22H2,1-3H3,(H,30,33)/t26-,27+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin D |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50196585
(CHEMBL252754 | N-((2S,3R)-4-(3-methoxybenzylamino)...)Show SMILES COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCCS(=O)(=O)CCC(C)C)c1 Show InChI InChI=1S/C27H40N2O5S/c1-21(2)14-16-35(32,33)15-8-13-27(31)29-25(18-22-9-5-4-6-10-22)26(30)20-28-19-23-11-7-12-24(17-23)34-3/h4-7,9-12,17,21,25-26,28,30H,8,13-16,18-20H2,1-3H3,(H,29,31)/t25-,26+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin D |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50196590
(CHEMBL252548 | N-((2S,3R)-4-(3-methoxybenzylamino)...)Show SMILES COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCCS(=O)(=O)C2CCCCC2)c1 Show InChI InChI=1S/C28H40N2O5S/c1-35-24-13-8-12-23(18-24)20-29-21-27(31)26(19-22-10-4-2-5-11-22)30-28(32)16-9-17-36(33,34)25-14-6-3-7-15-25/h2,4-5,8,10-13,18,25-27,29,31H,3,6-7,9,14-17,19-21H2,1H3,(H,30,32)/t26-,27+/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 | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50196590
(CHEMBL252548 | N-((2S,3R)-4-(3-methoxybenzylamino)...)Show SMILES COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCCS(=O)(=O)C2CCCCC2)c1 Show InChI InChI=1S/C28H40N2O5S/c1-35-24-13-8-12-23(18-24)20-29-21-27(31)26(19-22-10-4-2-5-11-22)30-28(32)16-9-17-36(33,34)25-14-6-3-7-15-25/h2,4-5,8,10-13,18,25-27,29,31H,3,6-7,9,14-17,19-21H2,1H3,(H,30,32)/t26-,27+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin D |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50196579
(CHEMBL252549 | N-((2S,3R)-4-(3-methoxybenzylamino)...)Show SMILES COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCS(C)(=O)=O)c1 Show InChI InChI=1S/C22H30N2O5S/c1-29-19-10-6-9-18(13-19)15-23-16-21(25)20(14-17-7-4-3-5-8-17)24-22(26)11-12-30(2,27)28/h3-10,13,20-21,23,25H,11-12,14-16H2,1-2H3,(H,24,26)/t20-,21+/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 | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50196577
(CHEMBL252756 | N-((2S,3R)-4-(3-methoxybenzylamino)...)Show SMILES COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCCS(=O)(=O)N2CCCCC2)c1 Show InChI InChI=1S/C27H39N3O5S/c1-35-24-13-8-12-23(18-24)20-28-21-26(31)25(19-22-10-4-2-5-11-22)29-27(32)14-9-17-36(33,34)30-15-6-3-7-16-30/h2,4-5,8,10-13,18,25-26,28,31H,3,6-7,9,14-17,19-21H2,1H3,(H,29,32)/t25-,26+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin D |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50196575
(CHEMBL252547 | N-((2S,3R)-4-(3-methoxybenzylamino)...)Show SMILES COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCCS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C28H34N2O5S/c1-35-24-13-8-12-23(18-24)20-29-21-27(31)26(19-22-10-4-2-5-11-22)30-28(32)16-9-17-36(33,34)25-14-6-3-7-15-25/h2-8,10-15,18,26-27,29,31H,9,16-17,19-21H2,1H3,(H,30,32)/t26-,27+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin D |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50196584
(CHEMBL252960 | N-((2S,3R)-4-(3-methoxybenzylamino)...)Show SMILES COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCS(=O)(=O)N2CCCCC2)c1 Show InChI InChI=1S/C26H37N3O5S/c1-34-23-12-8-11-22(17-23)19-27-20-25(30)24(18-21-9-4-2-5-10-21)28-26(31)13-16-35(32,33)29-14-6-3-7-15-29/h2,4-5,8-12,17,24-25,27,30H,3,6-7,13-16,18-20H2,1H3,(H,28,31)/t24-,25+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant cathepsin D |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50196588
(CHEMBL399749 | N-((2S,3R)-4-(3-methoxybenzylamino)...)Show SMILES COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C29H36N2O5S/c1-36-25-14-10-13-24(19-25)21-30-22-28(32)27(20-23-11-4-2-5-12-23)31-29(33)17-8-9-18-37(34,35)26-15-6-3-7-16-26/h2-7,10-16,19,27-28,30,32H,8-9,17-18,20-22H2,1H3,(H,31,33)/t27-,28+/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 | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50196585
(CHEMBL252754 | N-((2S,3R)-4-(3-methoxybenzylamino)...)Show SMILES COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCCS(=O)(=O)CCC(C)C)c1 Show InChI InChI=1S/C27H40N2O5S/c1-21(2)14-16-35(32,33)15-8-13-27(31)29-25(18-22-9-5-4-6-10-22)26(30)20-28-19-23-11-7-12-24(17-23)34-3/h4-7,9-12,17,21,25-26,28,30H,8,13-16,18-20H2,1-3H3,(H,29,31)/t25-,26+/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 | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE |
Bioorg Med Chem Lett 17: 73-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.092
BindingDB Entry DOI: 10.7270/Q2FX793P |
More data for this
Ligand-Target Pair | |
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