Found 72 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 |
|---|
Cathepsin E
(Homo sapiens (Human)) | BDBM50372198
(CHEMBL270359)Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 |r| Show InChI InChI=1S/C35H43F2N3O4/c1-4-11-40(12-5-2)35(43)27-14-23(3)13-26(18-27)34(42)39-32(17-25-15-28(36)19-29(37)16-25)33(41)31-20-30(21-38-31)44-22-24-9-7-6-8-10-24/h6-10,13-16,18-19,30-33,38,41H,4-5,11-12,17,20-22H2,1-3H3,(H,39,42)/t30-,31-,32+,33-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin E |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Cathepsin E
(Homo sapiens (Human)) | BDBM50372181
(CHEMBL403727)Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)Oc1ccccc1 |r| Show InChI InChI=1S/C34H41F2N3O4/c1-4-11-39(12-5-2)34(42)25-14-22(3)13-24(18-25)33(41)38-31(17-23-15-26(35)19-27(36)16-23)32(40)30-20-29(21-37-30)43-28-9-7-6-8-10-28/h6-10,13-16,18-19,29-32,37,40H,4-5,11-12,17,20-21H2,1-3H3,(H,38,41)/t29-,30-,31+,32-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin E |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50372198
(CHEMBL270359)Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 |r| Show InChI InChI=1S/C35H43F2N3O4/c1-4-11-40(12-5-2)35(43)27-14-23(3)13-26(18-27)34(42)39-32(17-25-15-28(36)19-29(37)16-25)33(41)31-20-30(21-38-31)44-22-24-9-7-6-8-10-24/h6-10,13-16,18-19,30-33,38,41H,4-5,11-12,17,20-22H2,1-3H3,(H,39,42)/t30-,31-,32+,33-/m1/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
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin D |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50372181
(CHEMBL403727)Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)Oc1ccccc1 |r| Show InChI InChI=1S/C34H41F2N3O4/c1-4-11-39(12-5-2)34(42)25-14-22(3)13-24(18-25)33(41)38-31(17-23-15-26(35)19-27(36)16-23)32(40)30-20-29(21-37-30)43-28-9-7-6-8-10-28/h6-10,13-16,18-19,29-32,37,40H,4-5,11-12,17,20-21H2,1-3H3,(H,38,41)/t29-,30-,31+,32-/m1/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
| 291 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin D |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50374253
(CHEMBL403195)Show SMILES COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)Oc1ccccc1 |r| Show InChI InChI=1S/C34H39F2N3O5/c1-21-11-23(16-24(12-21)34(42)39-10-6-7-27(39)20-43-2)33(41)38-31(15-22-13-25(35)17-26(36)14-22)32(40)30-18-29(19-37-30)44-28-8-4-3-5-9-28/h3-5,8-9,11-14,16-17,27,29-32,37,40H,6-7,10,15,18-20H2,1-2H3,(H,38,41)/t27-,29-,30-,31+,32-/m1/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 | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50372181
(CHEMBL403727)Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)Oc1ccccc1 |r| Show InChI InChI=1S/C34H41F2N3O4/c1-4-11-39(12-5-2)34(42)25-14-22(3)13-24(18-25)33(41)38-31(17-23-15-26(35)19-27(36)16-23)32(40)30-20-29(21-37-30)43-28-9-7-6-8-10-28/h6-10,13-16,18-19,29-32,37,40H,4-5,11-12,17,20-21H2,1-3H3,(H,38,41)/t29-,30-,31+,32-/m1/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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50372198
(CHEMBL270359)Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 |r| Show InChI InChI=1S/C35H43F2N3O4/c1-4-11-40(12-5-2)35(43)27-14-23(3)13-26(18-27)34(42)39-32(17-25-15-28(36)19-29(37)16-25)33(41)31-20-30(21-38-31)44-22-24-9-7-6-8-10-24/h6-10,13-16,18-19,30-33,38,41H,4-5,11-12,17,20-22H2,1-3H3,(H,39,42)/t30-,31-,32+,33-/m1/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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50374253
(CHEMBL403195)Show SMILES COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)Oc1ccccc1 |r| Show InChI InChI=1S/C34H39F2N3O5/c1-21-11-23(16-24(12-21)34(42)39-10-6-7-27(39)20-43-2)33(41)38-31(15-22-13-25(35)17-26(36)14-22)32(40)30-18-29(19-37-30)44-28-8-4-3-5-9-28/h3-5,8-9,11-14,16-17,27,29-32,37,40H,6-7,10,15,18-20H2,1-2H3,(H,38,41)/t27-,29-,30-,31+,32-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50374253
(CHEMBL403195)Show SMILES COC[C@H]1CCCN1C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)Oc1ccccc1 |r| Show InChI InChI=1S/C34H39F2N3O5/c1-21-11-23(16-24(12-21)34(42)39-10-6-7-27(39)20-43-2)33(41)38-31(15-22-13-25(35)17-26(36)14-22)32(40)30-18-29(19-37-30)44-28-8-4-3-5-9-28/h3-5,8-9,11-14,16-17,27,29-32,37,40H,6-7,10,15,18-20H2,1-2H3,(H,38,41)/t27-,29-,30-,31+,32-/m1/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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in human HEK293 cells assessed as inhibition of amyloid beta 40 production |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50372198
(CHEMBL270359)Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 |r| Show InChI InChI=1S/C35H43F2N3O4/c1-4-11-40(12-5-2)35(43)27-14-23(3)13-26(18-27)34(42)39-32(17-25-15-28(36)19-29(37)16-25)33(41)31-20-30(21-38-31)44-22-24-9-7-6-8-10-24/h6-10,13-16,18-19,30-33,38,41H,4-5,11-12,17,20-22H2,1-3H3,(H,39,42)/t30-,31-,32+,33-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50374233
(CHEMBL428870)Show SMILES CCCCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C30H39F2N3O4/c1-2-3-7-10-35-18-22(14-28(35)36)30(38)34-27(13-21-11-23(31)15-24(32)12-21)29(37)26-16-25(17-33-26)39-19-20-8-5-4-6-9-20/h4-6,8-9,11-12,15,22,25-27,29,33,37H,2-3,7,10,13-14,16-19H2,1H3,(H,34,38)/t22-,25+,26+,27-,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 | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50372181
(CHEMBL403727)Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)Oc1ccccc1 |r| Show InChI InChI=1S/C34H41F2N3O4/c1-4-11-39(12-5-2)34(42)25-14-22(3)13-24(18-25)33(41)38-31(17-23-15-26(35)19-27(36)16-23)32(40)30-20-29(21-37-30)43-28-9-7-6-8-10-28/h6-10,13-16,18-19,29-32,37,40H,4-5,11-12,17,20-21H2,1-3H3,(H,38,41)/t29-,30-,31+,32-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50374225
(CHEMBL403108)Show SMILES CCCCN1C[C@H]([C@H](CC(C)C)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C33H45F2N3O4/c1-4-5-11-38-19-28(27(33(38)41)12-21(2)3)32(40)37-30(15-23-13-24(34)16-25(35)14-23)31(39)29-17-26(18-36-29)42-20-22-9-7-6-8-10-22/h6-10,13-14,16,21,26-31,36,39H,4-5,11-12,15,17-20H2,1-3H3,(H,37,40)/t26-,27+,28-,29-,30+,31-/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 | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50374221
(CHEMBL255540)Show SMILES CCCC(CCC)N1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C32H43F2N3O4/c1-3-8-26(9-4-2)37-19-23(15-30(37)38)32(40)36-29(14-22-12-24(33)16-25(34)13-22)31(39)28-17-27(18-35-28)41-20-21-10-6-5-7-11-21/h5-7,10-13,16,23,26-29,31,35,39H,3-4,8-9,14-15,17-20H2,1-2H3,(H,36,40)/t23-,27+,28+,29-,31+/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 | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50374245
(CHEMBL403109)Show SMILES CCCCN1C[C@H]([C@H](Cc2ccccc2)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C36H43F2N3O4/c1-2-3-14-41-22-31(30(36(41)44)17-24-10-6-4-7-11-24)35(43)40-33(18-26-15-27(37)19-28(38)16-26)34(42)32-20-29(21-39-32)45-23-25-12-8-5-9-13-25/h4-13,15-16,19,29-34,39,42H,2-3,14,17-18,20-23H2,1H3,(H,40,43)/t29-,30+,31-,32-,33+,34-/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 | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50374248
(CHEMBL403593)Show SMILES CCCCCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C31H41F2N3O4/c1-2-3-4-8-11-36-19-23(15-29(36)37)31(39)35-28(14-22-12-24(32)16-25(33)13-22)30(38)27-17-26(18-34-27)40-20-21-9-6-5-7-10-21/h5-7,9-10,12-13,16,23,26-28,30,34,38H,2-4,8,11,14-15,17-20H2,1H3,(H,35,39)/t23-,26+,27+,28-,30+/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 | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50374226
(CHEMBL404369)Show SMILES CCCCN1C[C@H]([C@H](CCC)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C32H43F2N3O4/c1-3-5-12-37-19-27(26(9-4-2)32(37)40)31(39)36-29(15-22-13-23(33)16-24(34)14-22)30(38)28-17-25(18-35-28)41-20-21-10-7-6-8-11-21/h6-8,10-11,13-14,16,25-30,35,38H,3-5,9,12,15,17-20H2,1-2H3,(H,36,39)/t25-,26+,27-,28-,29+,30-/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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50374238
(CHEMBL257433)Show SMILES CCCCN1C[C@H]([C@H](CC)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C31H41F2N3O4/c1-3-5-11-36-18-26(25(4-2)31(36)39)30(38)35-28(14-21-12-22(32)15-23(33)13-21)29(37)27-16-24(17-34-27)40-19-20-9-7-6-8-10-20/h6-10,12-13,15,24-29,34,37H,3-5,11,14,16-19H2,1-2H3,(H,35,38)/t24-,25+,26-,27-,28+,29-/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 | 142 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50372198
(CHEMBL270359)Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 |r| Show InChI InChI=1S/C35H43F2N3O4/c1-4-11-40(12-5-2)35(43)27-14-23(3)13-26(18-27)34(42)39-32(17-25-15-28(36)19-29(37)16-25)33(41)31-20-30(21-38-31)44-22-24-9-7-6-8-10-24/h6-10,13-16,18-19,30-33,38,41H,4-5,11-12,17,20-22H2,1-3H3,(H,39,42)/t30-,31-,32+,33-/m1/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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in human HEK293 cells assessed as inhibition of amyloid beta 40 production |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50374232
(CHEMBL402070)Show SMILES O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(CC2CC2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C29H35F2N3O4/c30-22-8-20(9-23(31)12-22)10-26(33-29(37)21-11-27(35)34(16-21)15-18-6-7-18)28(36)25-13-24(14-32-25)38-17-19-4-2-1-3-5-19/h1-5,8-9,12,18,21,24-26,28,32,36H,6-7,10-11,13-17H2,(H,33,37)/t21-,24+,25+,26-,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 | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50372181
(CHEMBL403727)Show SMILES CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)Oc1ccccc1 |r| Show InChI InChI=1S/C34H41F2N3O4/c1-4-11-39(12-5-2)34(42)25-14-22(3)13-24(18-25)33(41)38-31(17-23-15-26(35)19-27(36)16-23)32(40)30-20-29(21-37-30)43-28-9-7-6-8-10-28/h6-10,13-16,18-19,29-32,37,40H,4-5,11-12,17,20-21H2,1-3H3,(H,38,41)/t29-,30-,31+,32-/m1/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 | 165 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 in human HEK293 cells assessed as inhibition of amyloid beta 40 production |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50374240
(CHEMBL270822)Show SMILES O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2cccnc2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C31H34F2N4O4/c32-24-9-22(10-25(33)13-24)11-28(30(39)27-14-26(16-35-27)41-19-20-5-2-1-3-6-20)36-31(40)23-12-29(38)37(18-23)17-21-7-4-8-34-15-21/h1-10,13,15,23,26-28,30,35,39H,11-12,14,16-19H2,(H,36,40)/t23-,26+,27+,28-,30+/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 | 219 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50374239
(CHEMBL404682)Show SMILES O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2ccco2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C30H33F2N3O5/c31-22-9-20(10-23(32)13-22)11-27(29(37)26-14-25(15-33-26)40-18-19-5-2-1-3-6-19)34-30(38)21-12-28(36)35(16-21)17-24-7-4-8-39-24/h1-10,13,21,25-27,29,33,37H,11-12,14-18H2,(H,34,38)/t21-,25+,26+,27-,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 | 225 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50374225
(CHEMBL403108)Show SMILES CCCCN1C[C@H]([C@H](CC(C)C)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C33H45F2N3O4/c1-4-5-11-38-19-28(27(33(38)41)12-21(2)3)32(40)37-30(15-23-13-24(34)16-25(35)14-23)31(39)29-17-26(18-36-29)42-20-22-9-7-6-8-10-22/h6-10,13-14,16,21,26-31,36,39H,4-5,11-12,15,17-20H2,1-3H3,(H,37,40)/t26-,27+,28-,29-,30+,31-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50374230
(CHEMBL401717)Show SMILES CCOCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C29H37F2N3O5/c1-2-38-9-8-34-17-21(13-27(34)35)29(37)33-26(12-20-10-22(30)14-23(31)11-20)28(36)25-15-24(16-32-25)39-18-19-6-4-3-5-7-19/h3-7,10-11,14,21,24-26,28,32,36H,2,8-9,12-13,15-18H2,1H3,(H,33,37)/t21-,24+,25+,26-,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 | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50374244
(CHEMBL271249)Show SMILES O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C32H35F2N3O4/c33-25-11-23(12-26(34)15-25)13-29(31(39)28-16-27(17-35-28)41-20-22-9-5-2-6-10-22)36-32(40)24-14-30(38)37(19-24)18-21-7-3-1-4-8-21/h1-12,15,24,27-29,31,35,39H,13-14,16-20H2,(H,36,40)/t24-,27+,28+,29-,31+/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 |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50374237
(CHEMBL255400)Show SMILES CCCCCN1C[C@H]([C@H](Cc2ccccc2)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C37H45F2N3O4/c1-2-3-10-15-42-23-32(31(37(42)45)18-25-11-6-4-7-12-25)36(44)41-34(19-27-16-28(38)20-29(39)17-27)35(43)33-21-30(22-40-33)46-24-26-13-8-5-9-14-26/h4-9,11-14,16-17,20,30-35,40,43H,2-3,10,15,18-19,21-24H2,1H3,(H,41,44)/t30-,31+,32-,33-,34+,35-/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 | 293 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50374223
(CHEMBL403253)Show SMILES CCCCCN1C[C@H]([C@H](C2CCCC2)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C35H47F2N3O4/c1-2-3-9-14-40-21-29(32(35(40)43)25-12-7-8-13-25)34(42)39-31(17-24-15-26(36)18-27(37)16-24)33(41)30-19-28(20-38-30)44-22-23-10-5-4-6-11-23/h4-6,10-11,15-16,18,25,28-33,38,41H,2-3,7-9,12-14,17,19-22H2,1H3,(H,39,42)/t28-,29-,30-,31+,32+,33-/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 | 295 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50374228
(CHEMBL402754)Show SMILES O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2cccs2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C30H33F2N3O4S/c31-22-9-20(10-23(32)13-22)11-27(29(37)26-14-24(15-33-26)39-18-19-5-2-1-3-6-19)34-30(38)21-12-28(36)35(16-21)17-25-7-4-8-40-25/h1-10,13,21,24,26-27,29,33,37H,11-12,14-18H2,(H,34,38)/t21-,24+,26+,27-,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 | 303 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50374250
(CHEMBL404839)Show SMILES O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2ccccn2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C31H34F2N4O4/c32-23-10-21(11-24(33)14-23)12-28(30(39)27-15-26(16-35-27)41-19-20-6-2-1-3-7-20)36-31(40)22-13-29(38)37(17-22)18-25-8-4-5-9-34-25/h1-11,14,22,26-28,30,35,39H,12-13,15-19H2,(H,36,40)/t22-,26+,27+,28-,30+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 312 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50374226
(CHEMBL404369)Show SMILES CCCCN1C[C@H]([C@H](CCC)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C32H43F2N3O4/c1-3-5-12-37-19-27(26(9-4-2)32(37)40)31(39)36-29(15-22-13-23(33)16-24(34)14-22)30(38)28-17-25(18-35-28)41-20-21-10-7-6-8-11-21/h6-8,10-11,13-14,16,25-30,35,38H,3-5,9,12,15,17-20H2,1-2H3,(H,36,39)/t25-,26+,27-,28-,29+,30-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50374246
(CHEMBL402374)Show SMILES O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2cccc(F)c2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C32H34F3N3O4/c33-24-8-4-7-21(9-24)17-38-18-23(13-30(38)39)32(41)37-29(12-22-10-25(34)14-26(35)11-22)31(40)28-15-27(16-36-28)42-19-20-5-2-1-3-6-20/h1-11,14,23,27-29,31,36,40H,12-13,15-19H2,(H,37,41)/t23-,27+,28+,29-,31+/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 | 338 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50374242
(CHEMBL402307)Show SMILES Cc1cccc(CN2C[C@H](CC2=O)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCc2ccccc2)c1 Show InChI InChI=1S/C33H37F2N3O4/c1-21-6-5-9-23(10-21)18-38-19-25(14-31(38)39)33(41)37-30(13-24-11-26(34)15-27(35)12-24)32(40)29-16-28(17-36-29)42-20-22-7-3-2-4-8-22/h2-12,15,25,28-30,32,36,40H,13-14,16-20H2,1H3,(H,37,41)/t25-,28+,29+,30-,32+/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 |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50374241
(CHEMBL255602)Show SMILES O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2ccccc2F)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C32H34F3N3O4/c33-24-10-21(11-25(34)14-24)12-29(31(40)28-15-26(16-36-28)42-19-20-6-2-1-3-7-20)37-32(41)23-13-30(39)38(18-23)17-22-8-4-5-9-27(22)35/h1-11,14,23,26,28-29,31,36,40H,12-13,15-19H2,(H,37,41)/t23-,26+,28+,29-,31+/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 | 365 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50374222
(CHEMBL256679)Show SMILES CCCCCN1C[C@H]([C@H](CC(C)C)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C34H47F2N3O4/c1-4-5-9-12-39-20-29(28(34(39)42)13-22(2)3)33(41)38-31(16-24-14-25(35)17-26(36)15-24)32(40)30-18-27(19-37-30)43-21-23-10-7-6-8-11-23/h6-8,10-11,14-15,17,22,27-32,37,40H,4-5,9,12-13,16,18-21H2,1-3H3,(H,38,41)/t27-,28+,29-,30-,31+,32-/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 | 365 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50374234
(CHEMBL429505)Show SMILES CCCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C29H37F2N3O4/c1-2-3-9-34-17-21(13-27(34)35)29(37)33-26(12-20-10-22(30)14-23(31)11-20)28(36)25-15-24(16-32-25)38-18-19-7-5-4-6-8-19/h4-8,10-11,14,21,24-26,28,32,36H,2-3,9,12-13,15-18H2,1H3,(H,33,37)/t21-,24+,25+,26-,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 | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50374238
(CHEMBL257433)Show SMILES CCCCN1C[C@H]([C@H](CC)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C31H41F2N3O4/c1-3-5-11-36-18-26(25(4-2)31(36)39)30(38)35-28(14-21-12-22(32)15-23(33)13-21)29(37)27-16-24(17-34-27)40-19-20-9-7-6-8-10-20/h6-10,12-13,15,24-29,34,37H,3-5,11,14,16-19H2,1-2H3,(H,35,38)/t24-,25+,26-,27-,28+,29-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50374224
(CHEMBL403050)Show SMILES CCCCCN1C[C@H]([C@H](C2CC2)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C33H43F2N3O4/c1-2-3-7-12-38-19-27(30(33(38)41)23-10-11-23)32(40)37-29(15-22-13-24(34)16-25(35)14-22)31(39)28-17-26(18-36-28)42-20-21-8-5-4-6-9-21/h4-6,8-9,13-14,16,23,26-31,36,39H,2-3,7,10-12,15,17-20H2,1H3,(H,37,40)/t26-,27-,28-,29+,30+,31-/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 | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50374248
(CHEMBL403593)Show SMILES CCCCCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C31H41F2N3O4/c1-2-3-4-8-11-36-19-23(15-29(36)37)31(39)35-28(14-22-12-24(32)16-25(33)13-22)30(38)27-17-26(18-34-27)40-20-21-9-6-5-7-10-21/h5-7,9-10,12-13,16,23,26-28,30,34,38H,2-4,8,11,14-15,17-20H2,1H3,(H,35,39)/t23-,26+,27+,28-,30+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 582 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50374233
(CHEMBL428870)Show SMILES CCCCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C30H39F2N3O4/c1-2-3-7-10-35-18-22(14-28(35)36)30(38)34-27(13-21-11-23(31)15-24(32)12-21)29(37)26-16-25(17-33-26)39-19-20-8-5-4-6-9-20/h4-6,8-9,11-12,15,22,25-27,29,33,37H,2-3,7,10,13-14,16-19H2,1H3,(H,34,38)/t22-,25+,26+,27-,29+/m0/s1 | PDB
UniProtKB/SwissProt
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 |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50374232
(CHEMBL402070)Show SMILES O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(CC2CC2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C29H35F2N3O4/c30-22-8-20(9-23(31)12-22)10-26(33-29(37)21-11-27(35)34(16-21)15-18-6-7-18)28(36)25-13-24(14-32-25)38-17-19-4-2-1-3-5-19/h1-5,8-9,12,18,21,24-26,28,32,36H,6-7,10-11,13-17H2,(H,33,37)/t21-,24+,25+,26-,28+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 795 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50374229
(CHEMBL403850)Show SMILES CCCOCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C30H39F2N3O5/c1-2-9-39-10-8-35-18-22(14-28(35)36)30(38)34-27(13-21-11-23(31)15-24(32)12-21)29(37)26-16-25(17-33-26)40-19-20-6-4-3-5-7-20/h3-7,11-12,15,22,25-27,29,33,37H,2,8-10,13-14,16-19H2,1H3,(H,34,38)/t22-,25+,26+,27-,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 | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50374235
(CHEMBL258351)Show SMILES CCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C28H35F2N3O4/c1-2-8-33-16-20(12-26(33)34)28(36)32-25(11-19-9-21(29)13-22(30)10-19)27(35)24-14-23(15-31-24)37-17-18-6-4-3-5-7-18/h3-7,9-10,13,20,23-25,27,31,35H,2,8,11-12,14-17H2,1H3,(H,32,36)/t20-,23+,24+,25-,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 | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50374239
(CHEMBL404682)Show SMILES O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2ccco2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C30H33F2N3O5/c31-22-9-20(10-23(32)13-22)11-27(29(37)26-14-25(15-33-26)40-18-19-5-2-1-3-6-19)34-30(38)21-12-28(36)35(16-21)17-24-7-4-8-39-24/h1-10,13,21,25-27,29,33,37H,11-12,14-18H2,(H,34,38)/t21-,25+,26+,27-,29+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50374227
(CHEMBL430039)Show SMILES O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2nccs2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C29H32F2N4O4S/c30-21-8-19(9-22(31)12-21)10-25(28(37)24-13-23(14-33-24)39-17-18-4-2-1-3-5-18)34-29(38)20-11-27(36)35(15-20)16-26-32-6-7-40-26/h1-9,12,20,23-25,28,33,37H,10-11,13-17H2,(H,34,38)/t20-,23+,24+,25-,28+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50374221
(CHEMBL255540)Show SMILES CCCC(CCC)N1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C32H43F2N3O4/c1-3-8-26(9-4-2)37-19-23(15-30(37)38)32(40)36-29(14-22-12-24(33)16-25(34)13-22)31(39)28-17-27(18-35-28)41-20-21-10-6-5-7-11-21/h5-7,10-13,16,23,26-29,31,35,39H,3-4,8-9,14-15,17-20H2,1-2H3,(H,36,40)/t23-,27+,28+,29-,31+/m0/s1 | PDB
UniProtKB/SwissProt
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 |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50374245
(CHEMBL403109)Show SMILES CCCCN1C[C@H]([C@H](Cc2ccccc2)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C36H43F2N3O4/c1-2-3-14-41-22-31(30(36(41)44)17-24-10-6-4-7-11-24)35(43)40-33(18-26-15-27(37)19-28(38)16-26)34(42)32-20-29(21-39-32)45-23-25-12-8-5-9-13-25/h4-13,15-16,19,29-34,39,42H,2-3,14,17-18,20-23H2,1H3,(H,40,43)/t29-,30+,31-,32-,33+,34-/m1/s1 | PDB
UniProtKB/SwissProt
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 |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50374230
(CHEMBL401717)Show SMILES CCOCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C29H37F2N3O5/c1-2-38-9-8-34-17-21(13-27(34)35)29(37)33-26(12-20-10-22(30)14-23(31)11-20)28(36)25-15-24(16-32-25)39-18-19-6-4-3-5-7-19/h3-7,10-11,14,21,24-26,28,32,36H,2,8-9,12-13,15-18H2,1H3,(H,33,37)/t21-,24+,25+,26-,28+/m0/s1 | PDB
UniProtKB/SwissProt
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 |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50374228
(CHEMBL402754)Show SMILES O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2cccs2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C30H33F2N3O4S/c31-22-9-20(10-23(32)13-22)11-27(29(37)26-14-24(15-33-26)39-18-19-5-2-1-3-6-19)34-30(38)21-12-28(36)35(16-21)17-25-7-4-8-40-25/h1-10,13,21,24,26-27,29,33,37H,11-12,14-18H2,(H,34,38)/t21-,24+,26+,27-,29+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50374241
(CHEMBL255602)Show SMILES O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2ccccc2F)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C32H34F3N3O4/c33-24-10-21(11-25(34)14-24)12-29(31(40)28-15-26(16-36-28)42-19-20-6-2-1-3-7-20)37-32(41)23-13-30(39)38(18-23)17-22-8-4-5-9-27(22)35/h1-11,14,23,26,28-29,31,36,40H,12-13,15-19H2,(H,37,41)/t23-,26+,28+,29-,31+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50374229
(CHEMBL403850)Show SMILES CCCOCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C30H39F2N3O5/c1-2-9-39-10-8-35-18-22(14-28(35)36)30(38)34-27(13-21-11-23(31)15-24(32)12-21)29(37)26-16-25(17-33-26)40-19-20-6-4-3-5-7-20/h3-7,11-12,15,22,25-27,29,33,37H,2,8-10,13-14,16-19H2,1H3,(H,34,38)/t22-,25+,26+,27-,29+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50374244
(CHEMBL271249)Show SMILES O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C32H35F2N3O4/c33-25-11-23(12-26(34)15-25)13-29(31(39)28-16-27(17-35-28)41-20-22-9-5-2-6-10-22)36-32(40)24-14-30(38)37(19-24)18-21-7-3-1-4-8-21/h1-12,15,24,27-29,31,35,39H,13-14,16-20H2,(H,36,40)/t24-,27+,28+,29-,31+/m0/s1 | PDB
UniProtKB/SwissProt
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 |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50374231
(CHEMBL428952)Show SMILES CCOCCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C30H39F2N3O5/c1-2-39-10-6-9-35-18-22(14-28(35)36)30(38)34-27(13-21-11-23(31)15-24(32)12-21)29(37)26-16-25(17-33-26)40-19-20-7-4-3-5-8-20/h3-5,7-8,11-12,15,22,25-27,29,33,37H,2,6,9-10,13-14,16-19H2,1H3,(H,34,38)/t22-,25+,26+,27-,29+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50374231
(CHEMBL428952)Show SMILES CCOCCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C30H39F2N3O5/c1-2-39-10-6-9-35-18-22(14-28(35)36)30(38)34-27(13-21-11-23(31)15-24(32)12-21)29(37)26-16-25(17-33-26)40-19-20-7-4-3-5-8-20/h3-5,7-8,11-12,15,22,25-27,29,33,37H,2,6,9-10,13-14,16-19H2,1H3,(H,34,38)/t22-,25+,26+,27-,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 | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50374246
(CHEMBL402374)Show SMILES O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2cccc(F)c2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C32H34F3N3O4/c33-24-8-4-7-21(9-24)17-38-18-23(13-30(38)39)32(41)37-29(12-22-10-25(34)14-26(35)11-22)31(40)28-15-27(16-36-28)42-19-20-5-2-1-3-6-20/h1-11,14,23,27-29,31,36,40H,12-13,15-19H2,(H,37,41)/t23-,27+,28+,29-,31+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50374242
(CHEMBL402307)Show SMILES Cc1cccc(CN2C[C@H](CC2=O)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2C[C@H](CN2)OCc2ccccc2)c1 Show InChI InChI=1S/C33H37F2N3O4/c1-21-6-5-9-23(10-21)18-38-19-25(14-31(38)39)33(41)37-30(13-24-11-26(34)15-27(35)12-24)32(40)29-16-28(17-36-29)42-20-22-7-3-2-4-8-22/h2-12,15,25,28-30,32,36,40H,13-14,16-20H2,1H3,(H,37,41)/t25-,28+,29+,30-,32+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50374234
(CHEMBL429505)Show SMILES CCCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C29H37F2N3O4/c1-2-3-9-34-17-21(13-27(34)35)29(37)33-26(12-20-10-22(30)14-23(31)11-20)28(36)25-15-24(16-32-25)38-18-19-7-5-4-6-8-19/h4-8,10-11,14,21,24-26,28,32,36H,2-3,9,12-13,15-18H2,1H3,(H,33,37)/t21-,24+,25+,26-,28+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50374224
(CHEMBL403050)Show SMILES CCCCCN1C[C@H]([C@H](C2CC2)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C33H43F2N3O4/c1-2-3-7-12-38-19-27(30(33(38)41)23-10-11-23)32(40)37-29(15-22-13-24(34)16-25(35)14-22)31(39)28-17-26(18-36-28)42-20-21-8-5-4-6-9-21/h4-6,8-9,13-14,16,23,26-31,36,39H,2-3,7,10-12,15,17-20H2,1H3,(H,37,40)/t26-,27-,28-,29+,30+,31-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50374222
(CHEMBL256679)Show SMILES CCCCCN1C[C@H]([C@H](CC(C)C)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C34H47F2N3O4/c1-4-5-9-12-39-20-29(28(34(39)42)13-22(2)3)33(41)38-31(16-24-14-25(35)17-26(36)15-24)32(40)30-18-27(19-37-30)43-21-23-10-7-6-8-11-23/h6-8,10-11,14-15,17,22,27-32,37,40H,4-5,9,12-13,16,18-21H2,1-3H3,(H,38,41)/t27-,28+,29-,30-,31+,32-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50374243
(CHEMBL403241)Show SMILES O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2ccc(F)cc2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C32H34F3N3O4/c33-24-8-6-20(7-9-24)17-38-18-23(13-30(38)39)32(41)37-29(12-22-10-25(34)14-26(35)11-22)31(40)28-15-27(16-36-28)42-19-21-4-2-1-3-5-21/h1-11,14,23,27-29,31,36,40H,12-13,15-19H2,(H,37,41)/t23-,27+,28+,29-,31+/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 | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50374247
(CHEMBL255336)Show SMILES COCCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C29H37F2N3O5/c1-38-9-5-8-34-17-21(13-27(34)35)29(37)33-26(12-20-10-22(30)14-23(31)11-20)28(36)25-15-24(16-32-25)39-18-19-6-3-2-4-7-19/h2-4,6-7,10-11,14,21,24-26,28,32,36H,5,8-9,12-13,15-18H2,1H3,(H,33,37)/t21-,24+,25+,26-,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 | 2.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50374249
(CHEMBL258350)Show SMILES CC(C)N1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C28H35F2N3O4/c1-17(2)33-15-20(11-26(33)34)28(36)32-25(10-19-8-21(29)12-22(30)9-19)27(35)24-13-23(14-31-24)37-16-18-6-4-3-5-7-18/h3-9,12,17,20,23-25,27,31,35H,10-11,13-16H2,1-2H3,(H,32,36)/t20-,23+,24+,25-,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 | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50374250
(CHEMBL404839)Show SMILES O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2ccccn2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C31H34F2N4O4/c32-23-10-21(11-24(33)14-23)12-28(30(39)27-15-26(16-35-27)41-19-20-6-2-1-3-7-20)36-31(40)22-13-29(38)37(17-22)18-25-8-4-5-9-34-25/h1-11,14,22,26-28,30,35,39H,12-13,15-19H2,(H,36,40)/t22-,26+,27+,28-,30+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50374237
(CHEMBL255400)Show SMILES CCCCCN1C[C@H]([C@H](Cc2ccccc2)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C37H45F2N3O4/c1-2-3-10-15-42-23-32(31(37(42)45)18-25-11-6-4-7-12-25)36(44)41-34(19-27-16-28(38)20-29(39)17-27)35(43)33-21-30(22-40-33)46-24-26-13-8-5-9-14-26/h4-9,11-14,16-17,20,30-35,40,43H,2-3,10,15,18-19,21-24H2,1H3,(H,41,44)/t30-,31+,32-,33-,34+,35-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50374223
(CHEMBL403253)Show SMILES CCCCCN1C[C@H]([C@H](C2CCCC2)C1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C35H47F2N3O4/c1-2-3-9-14-40-21-29(32(35(40)43)25-12-7-8-13-25)34(42)39-31(17-24-15-26(36)18-27(37)16-24)33(41)30-19-28(20-38-30)44-22-23-10-5-4-6-11-23/h4-6,10-11,15-16,18,25,28-33,38,41H,2-3,7-9,12-14,17,19-22H2,1H3,(H,39,42)/t28-,29-,30-,31+,32+,33-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50374235
(CHEMBL258351)Show SMILES CCCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C28H35F2N3O4/c1-2-8-33-16-20(12-26(33)34)28(36)32-25(11-19-9-21(29)13-22(30)10-19)27(35)24-14-23(15-31-24)37-17-18-6-4-3-5-7-18/h3-7,9-10,13,20,23-25,27,31,35H,2,8,11-12,14-17H2,1H3,(H,32,36)/t20-,23+,24+,25-,27+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50374243
(CHEMBL403241)Show SMILES O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2ccc(F)cc2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C32H34F3N3O4/c33-24-8-6-20(7-9-24)17-38-18-23(13-30(38)39)32(41)37-29(12-22-10-25(34)14-26(35)11-22)31(40)28-15-27(16-36-28)42-19-21-4-2-1-3-5-21/h1-11,14,23,27-29,31,36,40H,12-13,15-19H2,(H,37,41)/t23-,27+,28+,29-,31+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50374240
(CHEMBL270822)Show SMILES O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2cccnc2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C31H34F2N4O4/c32-24-9-22(10-25(33)13-24)11-28(30(39)27-14-26(16-35-27)41-19-20-5-2-1-3-6-20)36-31(40)23-12-29(38)37(18-23)17-21-7-4-8-34-15-21/h1-10,13,15,23,26-28,30,35,39H,11-12,14,16-19H2,(H,36,40)/t23-,26+,27+,28-,30+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50374227
(CHEMBL430039)Show SMILES O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2nccs2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C29H32F2N4O4S/c30-21-8-19(9-22(31)12-21)10-25(28(37)24-13-23(14-33-24)39-17-18-4-2-1-3-5-18)34-29(38)20-11-27(36)35(15-20)16-26-32-6-7-40-26/h1-9,12,20,23-25,28,33,37H,10-11,13-17H2,(H,34,38)/t20-,23+,24+,25-,28+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50374236
(CHEMBL410555)Show SMILES CCN1C[C@H](CC1=O)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C27H33F2N3O4/c1-2-32-15-19(11-25(32)33)27(35)31-24(10-18-8-20(28)12-21(29)9-18)26(34)23-13-22(14-30-23)36-16-17-6-4-3-5-7-17/h3-9,12,19,22-24,26,30,34H,2,10-11,13-16H2,1H3,(H,31,35)/t19-,22+,23+,24-,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 | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50374252
(CHEMBL401993)Show SMILES O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2ccc(Cl)cc2)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C32H34ClF2N3O4/c33-24-8-6-20(7-9-24)17-38-18-23(13-30(38)39)32(41)37-29(12-22-10-25(34)14-26(35)11-22)31(40)28-15-27(16-36-28)42-19-21-4-2-1-3-5-21/h1-11,14,23,27-29,31,36,40H,12-13,15-19H2,(H,37,41)/t23-,27+,28+,29-,31+/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 | 1.88E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50374251
(CHEMBL402373)Show SMILES O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CN(Cc2ccc(cc2)C(F)(F)F)C(=O)C1)[C@H]1C[C@H](CN1)OCc1ccccc1 Show InChI InChI=1S/C33H34F5N3O4/c34-25-10-22(11-26(35)14-25)12-29(31(43)28-15-27(16-39-28)45-19-21-4-2-1-3-5-21)40-32(44)23-13-30(42)41(18-23)17-20-6-8-24(9-7-20)33(36,37)38/h1-11,14,23,27-29,31,39,43H,12-13,15-19H2,(H,40,44)/t23-,27+,28+,29-,31+/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 | 4.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 418-22 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.053
BindingDB Entry DOI: 10.7270/Q2P84CRH |
More data for this
Ligand-Target Pair | |
Search and Browse
