Found 40 hits with Last Name = 'motter' and Initial = 'rn' 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 |
|---|
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50328778
(CHEMBL1270362 | N-((2S,3R)-4-(1-(3-(1,1-difluoro-2...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)C(F)F |r| Show InChI InChI=1S/C25H30F4N2O2/c1-15(32)31-21(11-16-9-19(26)13-20(27)10-16)22(33)14-30-25(7-8-25)18-6-4-5-17(12-18)24(2,3)23(28)29/h4-6,9-10,12-13,21-23,30,33H,7-8,11,14H2,1-3H3,(H,31,32)/t21-,22+/m0/s1 | 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in presence of NADPH |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50302838
(CHEMBL572081 | N-((2S,3R)-4-(1-(3-(1H-pyrazol-1-yl...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-n1cccn1 |r| Show InChI InChI=1S/C27H32F2N4O2/c1-19(34)32-25(15-20-13-22(28)17-23(29)14-20)26(35)18-30-27(9-3-2-4-10-27)21-7-5-8-24(16-21)33-12-6-11-31-33/h5-8,11-14,16-17,25-26,30,35H,2-4,9-10,15,18H2,1H3,(H,32,34)/t25-,26+/m0/s1 | PDB
MMDB
NCI pathway
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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50302841
(CHEMBL571860 | N-((2S,3R)-4-(1-(3-tert-butylphenyl...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C(C)(C)C |r| Show InChI InChI=1S/C28H38F2N2O2/c1-19(33)32-25(15-20-13-23(29)17-24(30)14-20)26(34)18-31-28(11-6-5-7-12-28)22-10-8-9-21(16-22)27(2,3)4/h8-10,13-14,16-17,25-26,31,34H,5-7,11-12,15,18H2,1-4H3,(H,32,33)/t25-,26+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50328778
(CHEMBL1270362 | N-((2S,3R)-4-(1-(3-(1,1-difluoro-2...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)C(F)F |r| Show InChI InChI=1S/C25H30F4N2O2/c1-15(32)31-21(11-16-9-19(26)13-20(27)10-16)22(33)14-30-25(7-8-25)18-6-4-5-17(12-18)24(2,3)23(28)29/h4-6,9-10,12-13,21-23,30,33H,7-8,11,14H2,1-3H3,(H,31,32)/t21-,22+/m0/s1 | 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 | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in presence of NADPH |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50302841
(CHEMBL571860 | N-((2S,3R)-4-(1-(3-tert-butylphenyl...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C(C)(C)C |r| Show InChI InChI=1S/C28H38F2N2O2/c1-19(33)32-25(15-20-13-23(29)17-24(30)14-20)26(34)18-31-28(11-6-5-7-12-28)22-10-8-9-21(16-22)27(2,3)4/h8-10,13-14,16-17,25-26,31,34H,5-7,11-12,15,18H2,1-4H3,(H,32,33)/t25-,26+/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 | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BACE1 purified from Escherichia coli |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50302838
(CHEMBL572081 | N-((2S,3R)-4-(1-(3-(1H-pyrazol-1-yl...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)-n1cccn1 |r| Show InChI InChI=1S/C27H32F2N4O2/c1-19(34)32-25(15-20-13-22(28)17-23(29)14-20)26(35)18-30-27(9-3-2-4-10-27)21-7-5-8-24(16-21)33-12-6-11-31-33/h5-8,11-14,16-17,25-26,30,35H,2-4,9-10,15,18H2,1H3,(H,32,34)/t25-,26+/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 | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BACE1 purified from Escherichia coli |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50302839
(CHEMBL570556 | N-((2S,3R)-4-(4-(3-tert-butylphenyl...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCOCC1)c1cccc(c1)C(C)(C)C |r| Show InChI InChI=1S/C27H36F2N2O3/c1-18(32)31-24(14-19-12-22(28)16-23(29)13-19)25(33)17-30-27(8-10-34-11-9-27)21-7-5-6-20(15-21)26(2,3)4/h5-7,12-13,15-16,24-25,30,33H,8-11,14,17H2,1-4H3,(H,31,32)/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 | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BACE1 purified from Escherichia coli |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50323493
(CHEMBL1209106 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C1CCOC1 |r| Show InChI InChI=1S/C28H36F2N2O3/c1-19(33)32-26(14-20-12-24(29)16-25(30)13-20)27(34)17-31-28(9-3-2-4-10-28)23-7-5-6-21(15-23)22-8-11-35-18-22/h5-7,12-13,15-16,22,26-27,31,34H,2-4,8-11,14,17-18H2,1H3,(H,32,33)/t22?,26-,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 | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BACE1 purified from Escherichia coli |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50328778
(CHEMBL1270362 | N-((2S,3R)-4-(1-(3-(1,1-difluoro-2...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)C(F)F |r| Show InChI InChI=1S/C25H30F4N2O2/c1-15(32)31-21(11-16-9-19(26)13-20(27)10-16)22(33)14-30-25(7-8-25)18-6-4-5-17(12-18)24(2,3)23(28)29/h4-6,9-10,12-13,21-23,30,33H,7-8,11,14H2,1-3H3,(H,31,32)/t21-,22+/m0/s1 | 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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 by competitive inhibition assay |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50328786
(CHEMBL1269840 | N-((2S,3R)-4-(4-(3-(1H-pyrazol-1-y...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCOCC1)c1cccc(c1)-n1cccn1 |r| Show InChI InChI=1S/C26H30F2N4O3/c1-18(33)31-24(14-19-12-21(27)16-22(28)13-19)25(34)17-29-26(6-10-35-11-7-26)20-4-2-5-23(15-20)32-9-3-8-30-32/h2-5,8-9,12-13,15-16,24-25,29,34H,6-7,10-11,14,17H2,1H3,(H,31,33)/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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BACE1 purified from Escherichia coli |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50328050
(CHEMBL1257303 | N-((2S,3R)-4-(1-(3-tert-butylpheny...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)C |r| Show InChI InChI=1S/C25H32F2N2O2/c1-16(30)29-22(12-17-10-20(26)14-21(27)11-17)23(31)15-28-25(8-9-25)19-7-5-6-18(13-19)24(2,3)4/h5-7,10-11,13-14,22-23,28,31H,8-9,12,15H2,1-4H3,(H,29,30)/t22-,23+/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 | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BACE1 purified from Escherichia coli |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50323493
(CHEMBL1209106 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)C1CCOC1 |r| Show InChI InChI=1S/C28H36F2N2O3/c1-19(33)32-26(14-20-12-24(29)16-25(30)13-20)27(34)17-31-28(9-3-2-4-10-28)23-7-5-6-21(15-23)22-8-11-35-18-22/h5-7,12-13,15-16,22,26-27,31,34H,2-4,8-11,14,17-18H2,1H3,(H,32,33)/t22?,26-,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 | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50328785
(CHEMBL1269841 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCOCC1)c1cccc(c1)C1CCOC1 |r| Show InChI InChI=1S/C27H34F2N2O4/c1-18(32)31-25(13-19-11-23(28)15-24(29)12-19)26(33)16-30-27(6-9-34-10-7-27)22-4-2-3-20(14-22)21-5-8-35-17-21/h2-4,11-12,14-15,21,25-26,30,33H,5-10,13,16-17H2,1H3,(H,31,32)/t21?,25-,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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50328786
(CHEMBL1269840 | N-((2S,3R)-4-(4-(3-(1H-pyrazol-1-y...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCOCC1)c1cccc(c1)-n1cccn1 |r| Show InChI InChI=1S/C26H30F2N4O3/c1-18(33)31-24(14-19-12-21(27)16-22(28)13-19)25(34)17-29-26(6-10-35-11-7-26)20-4-2-5-23(15-20)32-9-3-8-30-32/h2-5,8-9,12-13,15-16,24-25,29,34H,6-7,10-11,14,17H2,1H3,(H,31,33)/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 | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50328783
(CHEMBL1269949 | N-((2S,3R)-4-(2-(3-tert-butylpheny...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC(C)(C)c1cccc(c1)C(C)(C)C |r| Show InChI InChI=1S/C25H34F2N2O2/c1-16(30)29-22(12-17-10-20(26)14-21(27)11-17)23(31)15-28-25(5,6)19-9-7-8-18(13-19)24(2,3)4/h7-11,13-14,22-23,28,31H,12,15H2,1-6H3,(H,29,30)/t22-,23+/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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BACE1 purified from Escherichia coli |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50328050
(CHEMBL1257303 | N-((2S,3R)-4-(1-(3-tert-butylpheny...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)C |r| Show InChI InChI=1S/C25H32F2N2O2/c1-16(30)29-22(12-17-10-20(26)14-21(27)11-17)23(31)15-28-25(8-9-25)19-7-5-6-18(13-19)24(2,3)4/h5-7,10-11,13-14,22-23,28,31H,8-9,12,15H2,1-4H3,(H,29,30)/t22-,23+/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 | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50302839
(CHEMBL570556 | N-((2S,3R)-4-(4-(3-tert-butylphenyl...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCOCC1)c1cccc(c1)C(C)(C)C |r| Show InChI InChI=1S/C27H36F2N2O3/c1-18(32)31-24(14-19-12-22(28)16-23(29)13-19)25(33)17-30-27(8-10-34-11-9-27)21-7-5-6-20(15-21)26(2,3)4/h5-7,12-13,15-16,24-25,30,33H,8-11,14,17H2,1-4H3,(H,31,32)/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 | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50328778
(CHEMBL1270362 | N-((2S,3R)-4-(1-(3-(1,1-difluoro-2...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)C(F)F |r| Show InChI InChI=1S/C25H30F4N2O2/c1-15(32)31-21(11-16-9-19(26)13-20(27)10-16)22(33)14-30-25(7-8-25)18-6-4-5-17(12-18)24(2,3)23(28)29/h4-6,9-10,12-13,21-23,30,33H,7-8,11,14H2,1-3H3,(H,31,32)/t21-,22+/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 | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BACE1 purified from Escherichia coli |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50328049
(CHEMBL1257302 | N-((2S,3R)-4-(1-(6-tert-butylpyrim...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(ncn1)C(C)(C)C |r| Show InChI InChI=1S/C26H36F2N4O2/c1-17(33)32-21(12-18-10-19(27)13-20(28)11-18)22(34)15-31-26(8-6-5-7-9-26)24-14-23(25(2,3)4)29-16-30-24/h10-11,13-14,16,21-22,31,34H,5-9,12,15H2,1-4H3,(H,32,33)/t21-,22+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50328785
(CHEMBL1269841 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCOCC1)c1cccc(c1)C1CCOC1 |r| Show InChI InChI=1S/C27H34F2N2O4/c1-18(32)31-25(13-19-11-23(28)15-24(29)12-19)26(33)16-30-27(6-9-34-10-7-27)22-4-2-3-20(14-22)21-5-8-35-17-21/h2-4,11-12,14-15,21,25-26,30,33H,5-10,13,16-17H2,1H3,(H,31,32)/t21?,25-,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 | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BACE1 purified from Escherichia coli |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50328779
(CHEMBL1270263 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)CF |r| Show InChI InChI=1S/C25H31F3N2O2/c1-16(31)30-22(11-17-9-20(27)13-21(28)10-17)23(32)14-29-25(7-8-25)19-6-4-5-18(12-19)24(2,3)15-26/h4-6,9-10,12-13,22-23,29,32H,7-8,11,14-15H2,1-3H3,(H,30,31)/t22-,23+/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 | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BACE1 purified from Escherichia coli |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50328061
(CHEMBL1258002 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cnn(CC(C)(C)C)c1 |r| Show InChI InChI=1S/C23H32F2N4O2/c1-15(30)28-20(9-16-7-18(24)10-19(25)8-16)21(31)12-26-23(5-6-23)17-11-27-29(13-17)14-22(2,3)4/h7-8,10-11,13,20-21,26,31H,5-6,9,12,14H2,1-4H3,(H,28,30)/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 | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BACE1 purified from Escherichia coli |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50328776
(CHEMBL1270458 | N-((2S,3R)-4-(1-(3-tert-butylpheny...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCC1)c1cccc(c1)C(C)(C)C |r| Show InChI InChI=1S/C26H34F2N2O2/c1-17(31)30-23(13-18-11-21(27)15-22(28)12-18)24(32)16-29-26(9-6-10-26)20-8-5-7-19(14-20)25(2,3)4/h5,7-8,11-12,14-15,23-24,29,32H,6,9-10,13,16H2,1-4H3,(H,30,31)/t23-,24+/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 | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50328777
(CHEMBL1270363 | N-((2S,3R)-4-(1-(3-(1,3-difluoro-2...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(CF)CF |r| Show InChI InChI=1S/C25H30F4N2O2/c1-16(32)31-22(10-17-8-20(28)12-21(29)9-17)23(33)13-30-25(6-7-25)19-5-3-4-18(11-19)24(2,14-26)15-27/h3-5,8-9,11-12,22-23,30,33H,6-7,10,13-15H2,1-2H3,(H,31,32)/t22-,23+/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 | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BACE1 purified from Escherichia coli |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50328779
(CHEMBL1270263 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)CF |r| Show InChI InChI=1S/C25H31F3N2O2/c1-16(31)30-22(11-17-9-20(27)13-21(28)10-17)23(32)14-29-25(7-8-25)19-6-4-5-18(12-19)24(2,3)15-26/h4-6,9-10,12-13,22-23,29,32H,7-8,11,14-15H2,1-3H3,(H,30,31)/t22-,23+/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 | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50328781
(CHEMBL1270164 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C1CCOC1 |r| Show InChI InChI=1S/C25H30F2N2O3/c1-16(30)29-23(11-17-9-21(26)13-22(27)10-17)24(31)14-28-25(6-7-25)20-4-2-3-18(12-20)19-5-8-32-15-19/h2-4,9-10,12-13,19,23-24,28,31H,5-8,11,14-15H2,1H3,(H,29,30)/t19?,23-,24+/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 | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50328778
(CHEMBL1270362 | N-((2S,3R)-4-(1-(3-(1,1-difluoro-2...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(C)C(F)F |r| Show InChI InChI=1S/C25H30F4N2O2/c1-15(32)31-21(11-16-9-19(26)13-20(27)10-16)22(33)14-30-25(7-8-25)18-6-4-5-17(12-18)24(2,3)23(28)29/h4-6,9-10,12-13,21-23,30,33H,7-8,11,14H2,1-3H3,(H,31,32)/t21-,22+/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 | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50328777
(CHEMBL1270363 | N-((2S,3R)-4-(1-(3-(1,3-difluoro-2...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(C)(CF)CF |r| Show InChI InChI=1S/C25H30F4N2O2/c1-16(32)31-22(10-17-8-20(28)12-21(29)9-17)23(33)13-30-25(6-7-25)19-5-3-4-18(11-19)24(2,14-26)15-27/h3-5,8-9,11-12,22-23,30,33H,6-7,10,13-15H2,1-2H3,(H,31,32)/t22-,23+/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 | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50328776
(CHEMBL1270458 | N-((2S,3R)-4-(1-(3-tert-butylpheny...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCC1)c1cccc(c1)C(C)(C)C |r| Show InChI InChI=1S/C26H34F2N2O2/c1-17(31)30-23(13-18-11-21(27)15-22(28)12-18)24(32)16-29-26(9-6-10-26)20-8-5-7-19(14-20)25(2,3)4/h5,7-8,11-12,14-15,23-24,29,32H,6,9-10,13,16H2,1-4H3,(H,30,31)/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 | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BACE1 purified from Escherichia coli |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50328783
(CHEMBL1269949 | N-((2S,3R)-4-(2-(3-tert-butylpheny...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC(C)(C)c1cccc(c1)C(C)(C)C |r| Show InChI InChI=1S/C25H34F2N2O2/c1-16(30)29-22(12-17-10-20(26)14-21(27)11-17)23(31)15-28-25(5,6)19-9-7-8-18(13-19)24(2,3)4/h7-11,13-14,22-23,28,31H,12,15H2,1-6H3,(H,29,30)/t22-,23+/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 | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50328061
(CHEMBL1258002 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cnn(CC(C)(C)C)c1 |r| Show InChI InChI=1S/C23H32F2N4O2/c1-15(30)28-20(9-16-7-18(24)10-19(25)8-16)21(31)12-26-23(5-6-23)17-11-27-29(13-17)14-22(2,3)4/h7-8,10-11,13,20-21,26,31H,5-6,9,12,14H2,1-4H3,(H,28,30)/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 | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50328782
(CHEMBL1270163 | N-((2S,3R)-4-(1-(3-(1H-pyrazol-1-y...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)-n1cccn1 |r| Show InChI InChI=1S/C24H26F2N4O2/c1-16(31)29-22(12-17-10-19(25)14-20(26)11-17)23(32)15-27-24(6-7-24)18-4-2-5-21(13-18)30-9-3-8-28-30/h2-5,8-11,13-14,22-23,27,32H,6-7,12,15H2,1H3,(H,29,31)/t22-,23+/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 | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50328781
(CHEMBL1270164 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C1CCOC1 |r| Show InChI InChI=1S/C25H30F2N2O3/c1-16(30)29-23(11-17-9-21(26)13-22(27)10-17)24(31)14-28-25(6-7-25)20-4-2-3-18(12-20)19-5-8-32-15-19/h2-4,9-10,12-13,19,23-24,28,31H,5-8,11,14-15H2,1H3,(H,29,30)/t19?,23-,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 | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BACE1 purified from Escherichia coli |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50328782
(CHEMBL1270163 | N-((2S,3R)-4-(1-(3-(1H-pyrazol-1-y...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)-n1cccn1 |r| Show InChI InChI=1S/C24H26F2N4O2/c1-16(31)29-22(12-17-10-19(25)14-20(26)11-17)23(32)15-27-24(6-7-24)18-4-2-5-21(13-18)30-9-3-8-28-30/h2-5,8-11,13-14,22-23,27,32H,6-7,12,15H2,1H3,(H,29,31)/t22-,23+/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 | 980 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BACE1 purified from Escherichia coli |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50328780
(CHEMBL1270262 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(=C)C(F)(F)F |r| Show InChI InChI=1S/C24H25F5N2O2/c1-14(24(27,28)29)17-4-3-5-18(11-17)23(6-7-23)30-13-22(33)21(31-15(2)32)10-16-8-19(25)12-20(26)9-16/h3-5,8-9,11-12,21-22,30,33H,1,6-7,10,13H2,2H3,(H,31,32)/t21-,22+/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 | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50328784
(CHEMBL1269948 | N-((2S,3R)-4-(3-tert-butylbenzylam...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(c1)C(C)(C)C |r| Show InChI InChI=1S/C23H30F2N2O2/c1-15(28)27-21(11-17-9-19(24)12-20(25)10-17)22(29)14-26-13-16-6-5-7-18(8-16)23(2,3)4/h5-10,12,21-22,26,29H,11,13-14H2,1-4H3,(H,27,28)/t21-,22+/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 | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BACE1 purified from Escherichia coli |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50328780
(CHEMBL1270262 | N-((2S,3R)-1-(3,5-difluorophenyl)-...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)C(=C)C(F)(F)F |r| Show InChI InChI=1S/C24H25F5N2O2/c1-14(24(27,28)29)17-4-3-5-18(11-17)23(6-7-23)30-13-22(33)21(31-15(2)32)10-16-8-19(25)12-20(26)9-16/h3-5,8-9,11-12,21-22,30,33H,1,6-7,10,13H2,2H3,(H,31,32)/t21-,22+/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 | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BACE1 purified from Escherichia coli |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50328775
(CHEMBL1270459 | N-((2S,3R)-4-((1R,2R)-1-(3-(1,1-di...)Show SMILES C[C@@H]1C[C@]1(NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O)c1cccc(c1)C(C)(C)C(F)F |r| Show InChI InChI=1S/C26H32F4N2O2/c1-15-13-26(15,19-7-5-6-18(11-19)25(3,4)24(29)30)31-14-23(34)22(32-16(2)33)10-17-8-20(27)12-21(28)9-17/h5-9,11-12,15,22-24,31,34H,10,13-14H2,1-4H3,(H,32,33)/t15-,22+,23-,26-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BACE1 purified from Escherichia coli |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50328049
(CHEMBL1257302 | N-((2S,3R)-4-(1-(6-tert-butylpyrim...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cc(ncn1)C(C)(C)C |r| Show InChI InChI=1S/C26H36F2N4O2/c1-17(33)32-21(12-18-10-19(27)13-20(28)11-18)22(34)15-31-26(8-6-5-7-9-26)24-14-23(25(2,3)4)29-16-30-24/h10-11,13-14,16,21-22,31,34H,5-9,12,15H2,1-4H3,(H,32,33)/t21-,22+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BACE1 purified from Escherichia coli |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50328784
(CHEMBL1269948 | N-((2S,3R)-4-(3-tert-butylbenzylam...)Show SMILES CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(c1)C(C)(C)C |r| Show InChI InChI=1S/C23H30F2N2O2/c1-15(28)27-21(11-17-9-19(24)12-20(25)10-17)22(29)14-26-13-16-6-5-7-18(8-16)23(2,3)4/h5-10,12,21-22,26,29H,11,13-14H2,1-4H3,(H,27,28)/t21-,22+/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Elan Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin-D |
Bioorg Med Chem Lett 20: 6231-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.102
BindingDB Entry DOI: 10.7270/Q2NZ87V9 |
More data for this
Ligand-Target Pair | |
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