Found 36 hits with Last Name = 'gustavsson' and Initial = 's' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50419871
(CHEMBL1957483)Show SMILES NC1=N[C@](C2=NCC(F)(F)CN12)(c1ccc(OC(F)F)cc1)c1cccc(OCCCF)c1 |r,t:1,4| Show InChI InChI=1S/C22H21F5N4O2/c23-9-2-10-32-17-4-1-3-15(11-17)22(14-5-7-16(8-6-14)33-19(24)25)18-29-12-21(26,27)13-31(18)20(28)30-22/h1,3-8,11,19H,2,9-10,12-13H2,(H2,28,30)/t22-/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 | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of BACE-1-mediated sAPPbeta production in human SH-SY5Y cells after 16 hrs |
Bioorg Med Chem Lett 22: 1854-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50419858
(CHEMBL1957481)Show SMILES COCCC#Cc1cccc(c1)C1(N=C(N)N2CC(F)(F)CN=C12)c1ccc(OC(F)F)cc1 |t:14,23| Show InChI InChI=1S/C24H22F4N4O2/c1-33-12-3-2-5-16-6-4-7-18(13-16)24(17-8-10-19(11-9-17)34-21(25)26)20-30-14-23(27,28)15-32(20)22(29)31-24/h4,6-11,13,21H,3,12,14-15H2,1H3,(H2,29,31) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of BACE-1-mediated sAPPbeta production in human SH-SY5Y cells after 16 hrs |
Bioorg Med Chem Lett 22: 1854-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50419864
(CHEMBL1957476)Show SMILES NC1=NC(C2=NCC(F)(F)CN12)(c1ccc(OC(F)F)cc1)c1cccc(c1)-c1cccnc1F |t:1,4| Show InChI InChI=1S/C24H18F5N5O/c25-19-18(5-2-10-31-19)14-3-1-4-16(11-14)24(15-6-8-17(9-7-15)35-21(26)27)20-32-12-23(28,29)13-34(20)22(30)33-24/h1-11,21H,12-13H2,(H2,30,33) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of BACE-1-mediated sAPPbeta production in human SH-SY5Y cells after 16 hrs |
Bioorg Med Chem Lett 22: 1854-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50419863
(CHEMBL1957475)Show SMILES COc1cncc(c1)-c1cccc(c1)C1(N=C(N)N2CC(F)(F)CN=C12)c1ccc(OC(F)F)cc1 |t:17,26| Show InChI InChI=1S/C25H21F4N5O2/c1-35-20-10-16(11-31-12-20)15-3-2-4-18(9-15)25(17-5-7-19(8-6-17)36-22(26)27)21-32-13-24(28,29)14-34(21)23(30)33-25/h2-12,22H,13-14H2,1H3,(H2,30,33) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human BACE-1 using (Eu)CEVNLDAEFK(Qsy7) as substrate preincubated for 10 mins prior substrate addition measured after 15 mins by FRET-b... |
Bioorg Med Chem Lett 22: 1854-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50419863
(CHEMBL1957475)Show SMILES COc1cncc(c1)-c1cccc(c1)C1(N=C(N)N2CC(F)(F)CN=C12)c1ccc(OC(F)F)cc1 |t:17,26| Show InChI InChI=1S/C25H21F4N5O2/c1-35-20-10-16(11-31-12-20)15-3-2-4-18(9-15)25(17-5-7-19(8-6-17)36-22(26)27)21-32-13-24(28,29)14-34(21)23(30)33-25/h2-12,22H,13-14H2,1H3,(H2,30,33) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of BACE-1-mediated sAPPbeta production in human SH-SY5Y cells after 16 hrs |
Bioorg Med Chem Lett 22: 1854-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50419859
(CHEMBL1957482)Show SMILES NC1=NC(C2=NCC(F)(F)CN12)(c1ccc(OC(F)F)cc1)c1cccc(OCCCF)c1 |t:1,4| Show InChI InChI=1S/C22H21F5N4O2/c23-9-2-10-32-17-4-1-3-15(11-17)22(14-5-7-16(8-6-14)33-19(24)25)18-29-12-21(26,27)13-31(18)20(28)30-22/h1,3-8,11,19H,2,9-10,12-13H2,(H2,28,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of BACE-1-mediated sAPPbeta production in human SH-SY5Y cells after 16 hrs |
Bioorg Med Chem Lett 22: 1854-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50419862
(CHEMBL1957474)Show SMILES NC1=NC(C2=NCC(F)(F)CN12)(c1ccc(OC(F)F)cc1)c1cccc(c1)-c1cncnc1 |t:1,4| Show InChI InChI=1S/C23H18F4N6O/c24-20(25)34-18-6-4-16(5-7-18)23(19-31-11-22(26,27)12-33(19)21(28)32-23)17-3-1-2-14(8-17)15-9-29-13-30-10-15/h1-10,13,20H,11-12H2,(H2,28,32) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of BACE-1-mediated sAPPbeta production in human SH-SY5Y cells after 16 hrs |
Bioorg Med Chem Lett 22: 1854-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50419860
(CHEMBL1957471)Show SMILES COc1cccc(-c2cccc(c2)[C@@]2(N=C(N)N3CC(F)(F)CN=C23)c2ccncc2)c1F |r,t:15,24| Show InChI InChI=1S/C24H20F3N5O/c1-33-19-7-3-6-18(20(19)25)15-4-2-5-17(12-15)24(16-8-10-29-11-9-16)21-30-13-23(26,27)14-32(21)22(28)31-24/h2-12H,13-14H2,1H3,(H2,28,31)/t24-/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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human BACE-1 using (Eu)CEVNLDAEFK(Qsy7) as substrate preincubated for 10 mins prior substrate addition measured after 15 mins by FRET-b... |
Bioorg Med Chem Lett 22: 1854-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50419872
(CHEMBL1957469)Show SMILES COc1ccc(cc1)C1(N=C(N)N2CCCN=C12)c1cccc(c1)-c1cc(Cl)cc(Cl)c1 |t:10,17| Show InChI InChI=1S/C25H22Cl2N4O/c1-32-22-8-6-18(7-9-22)25(23-29-10-3-11-31(23)24(28)30-25)19-5-2-4-16(12-19)17-13-20(26)15-21(27)14-17/h2,4-9,12-15H,3,10-11H2,1H3,(H2,28,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human BACE-1 using (Eu)CEVNLDAEFK(Qsy7) as substrate preincubated for 10 mins prior substrate addition measured after 15 mins by FRET-b... |
Bioorg Med Chem Lett 22: 1854-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50419862
(CHEMBL1957474)Show SMILES NC1=NC(C2=NCC(F)(F)CN12)(c1ccc(OC(F)F)cc1)c1cccc(c1)-c1cncnc1 |t:1,4| Show InChI InChI=1S/C23H18F4N6O/c24-20(25)34-18-6-4-16(5-7-18)23(19-31-11-22(26,27)12-33(19)21(28)32-23)17-3-1-2-14(8-17)15-9-29-13-30-10-15/h1-10,13,20H,11-12H2,(H2,28,32) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human BACE-1 using (Eu)CEVNLDAEFK(Qsy7) as substrate preincubated for 10 mins prior substrate addition measured after 15 mins by FRET-b... |
Bioorg Med Chem Lett 22: 1854-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50419869
(CHEMBL1957477)Show SMILES COc1ccc(F)c(c1)-c1cccc(c1)C1(N=C(N)N2CC(F)(F)CN=C12)c1ccncc1 |t:18,27| Show InChI InChI=1S/C24H20F3N5O/c1-33-18-5-6-20(25)19(12-18)15-3-2-4-17(11-15)24(16-7-9-29-10-8-16)21-30-13-23(26,27)14-32(21)22(28)31-24/h2-12H,13-14H2,1H3,(H2,28,31) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human BACE-1 using (Eu)CEVNLDAEFK(Qsy7) as substrate preincubated for 10 mins prior substrate addition measured after 15 mins by FRET-b... |
Bioorg Med Chem Lett 22: 1854-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50419864
(CHEMBL1957476)Show SMILES NC1=NC(C2=NCC(F)(F)CN12)(c1ccc(OC(F)F)cc1)c1cccc(c1)-c1cccnc1F |t:1,4| Show InChI InChI=1S/C24H18F5N5O/c25-19-18(5-2-10-31-19)14-3-1-4-16(11-14)24(15-6-8-17(9-7-15)35-21(26)27)20-32-12-23(28,29)13-34(20)22(30)33-24/h1-11,21H,12-13H2,(H2,30,33) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human BACE-1 using (Eu)CEVNLDAEFK(Qsy7) as substrate preincubated for 10 mins prior substrate addition measured after 15 mins by FRET-b... |
Bioorg Med Chem Lett 22: 1854-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50419860
(CHEMBL1957471)Show SMILES COc1cccc(-c2cccc(c2)[C@@]2(N=C(N)N3CC(F)(F)CN=C23)c2ccncc2)c1F |r,t:15,24| Show InChI InChI=1S/C24H20F3N5O/c1-33-19-7-3-6-18(20(19)25)15-4-2-5-17(12-15)24(16-8-10-29-11-9-16)21-30-13-23(26,27)14-32(21)22(28)31-24/h2-12H,13-14H2,1H3,(H2,28,31)/t24-/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 | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of BACE-1-mediated sAPPbeta production in human SH-SY5Y cells after 16 hrs |
Bioorg Med Chem Lett 22: 1854-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50419871
(CHEMBL1957483)Show SMILES NC1=N[C@](C2=NCC(F)(F)CN12)(c1ccc(OC(F)F)cc1)c1cccc(OCCCF)c1 |r,t:1,4| Show InChI InChI=1S/C22H21F5N4O2/c23-9-2-10-32-17-4-1-3-15(11-17)22(14-5-7-16(8-6-14)33-19(24)25)18-29-12-21(26,27)13-31(18)20(28)30-22/h1,3-8,11,19H,2,9-10,12-13H2,(H2,28,30)/t22-/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 | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human BACE-1 using (Eu)CEVNLDAEFK(Qsy7) as substrate preincubated for 10 mins prior substrate addition measured after 15 mins by FRET-b... |
Bioorg Med Chem Lett 22: 1854-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50419857
(CHEMBL1957480)Show SMILES COCC#Cc1cccc(c1)C1(N=C(N)N2CC(F)(F)CN=C12)c1ccc(OC(F)F)cc1 |t:13,22| Show InChI InChI=1S/C23H20F4N4O2/c1-32-11-3-5-15-4-2-6-17(12-15)23(16-7-9-18(10-8-16)33-20(24)25)19-29-13-22(26,27)14-31(19)21(28)30-23/h2,4,6-10,12,20H,11,13-14H2,1H3,(H2,28,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of BACE-1-mediated sAPPbeta production in human SH-SY5Y cells after 16 hrs |
Bioorg Med Chem Lett 22: 1854-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50419865
(CHEMBL1957478)Show SMILES COc1ccc(cc1C)C1(N=C(N)N2CC(F)(F)CN=C12)c1ccc(F)c(c1)-c1cccnc1 |t:11,20| Show InChI InChI=1S/C25H22F3N5O/c1-15-10-17(6-8-21(15)34-2)25(22-31-13-24(27,28)14-33(22)23(29)32-25)18-5-7-20(26)19(11-18)16-4-3-9-30-12-16/h3-12H,13-14H2,1-2H3,(H2,29,32) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human BACE-1 using (Eu)CEVNLDAEFK(Qsy7) as substrate preincubated for 10 mins prior substrate addition measured after 15 mins by FRET-b... |
Bioorg Med Chem Lett 22: 1854-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50419860
(CHEMBL1957471)Show SMILES COc1cccc(-c2cccc(c2)[C@@]2(N=C(N)N3CC(F)(F)CN=C23)c2ccncc2)c1F |r,t:15,24| Show InChI InChI=1S/C24H20F3N5O/c1-33-19-7-3-6-18(20(19)25)15-4-2-5-17(12-15)24(16-8-10-29-11-9-16)21-30-13-23(26,27)14-32(21)22(28)31-24/h2-12H,13-14H2,1H3,(H2,28,31)/t24-/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 | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human BACE-1 using (Eu)CEVNLDAEFK(Qsy7) as substrate preincubated for 10 mins prior substrate addition measured after 15 mins by FRET-b... |
Bioorg Med Chem Lett 22: 1854-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50419865
(CHEMBL1957478)Show SMILES COc1ccc(cc1C)C1(N=C(N)N2CC(F)(F)CN=C12)c1ccc(F)c(c1)-c1cccnc1 |t:11,20| Show InChI InChI=1S/C25H22F3N5O/c1-15-10-17(6-8-21(15)34-2)25(22-31-13-24(27,28)14-33(22)23(29)32-25)18-5-7-20(26)19(11-18)16-4-3-9-30-12-16/h3-12H,13-14H2,1-2H3,(H2,29,32) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of BACE-1-mediated sAPPbeta production in human SH-SY5Y cells after 16 hrs |
Bioorg Med Chem Lett 22: 1854-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50419860
(CHEMBL1957471)Show SMILES COc1cccc(-c2cccc(c2)[C@@]2(N=C(N)N3CC(F)(F)CN=C23)c2ccncc2)c1F |r,t:15,24| Show InChI InChI=1S/C24H20F3N5O/c1-33-19-7-3-6-18(20(19)25)15-4-2-5-17(12-15)24(16-8-10-29-11-9-16)21-30-13-23(26,27)14-32(21)22(28)31-24/h2-12H,13-14H2,1H3,(H2,28,31)/t24-/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 | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of BACE-1-mediated sAPPbeta production in human SH-SY5Y cells after 16 hrs |
Bioorg Med Chem Lett 22: 1854-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50419858
(CHEMBL1957481)Show SMILES COCCC#Cc1cccc(c1)C1(N=C(N)N2CC(F)(F)CN=C12)c1ccc(OC(F)F)cc1 |t:14,23| Show InChI InChI=1S/C24H22F4N4O2/c1-33-12-3-2-5-16-6-4-7-18(13-16)24(17-8-10-19(11-9-17)34-21(25)26)20-30-14-23(27,28)15-32(20)22(29)31-24/h4,6-11,13,21H,3,12,14-15H2,1H3,(H2,29,31) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human BACE-1 using (Eu)CEVNLDAEFK(Qsy7) as substrate preincubated for 10 mins prior substrate addition measured after 15 mins by FRET-b... |
Bioorg Med Chem Lett 22: 1854-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50419859
(CHEMBL1957482)Show SMILES NC1=NC(C2=NCC(F)(F)CN12)(c1ccc(OC(F)F)cc1)c1cccc(OCCCF)c1 |t:1,4| Show InChI InChI=1S/C22H21F5N4O2/c23-9-2-10-32-17-4-1-3-15(11-17)22(14-5-7-16(8-6-14)33-19(24)25)18-29-12-21(26,27)13-31(18)20(28)30-22/h1,3-8,11,19H,2,9-10,12-13H2,(H2,28,30) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human BACE-1 using (Eu)CEVNLDAEFK(Qsy7) as substrate preincubated for 10 mins prior substrate addition measured after 15 mins by FRET-b... |
Bioorg Med Chem Lett 22: 1854-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50419857
(CHEMBL1957480)Show SMILES COCC#Cc1cccc(c1)C1(N=C(N)N2CC(F)(F)CN=C12)c1ccc(OC(F)F)cc1 |t:13,22| Show InChI InChI=1S/C23H20F4N4O2/c1-32-11-3-5-15-4-2-6-17(12-15)23(16-7-9-18(10-8-16)33-20(24)25)19-29-13-22(26,27)14-31(19)21(28)30-23/h2,4,6-10,12,20H,11,13-14H2,1H3,(H2,28,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human BACE-1 using (Eu)CEVNLDAEFK(Qsy7) as substrate preincubated for 10 mins prior substrate addition measured after 15 mins by FRET-b... |
Bioorg Med Chem Lett 22: 1854-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50419866
(CHEMBL1957468)Show SMILES COc1cccc(-c2cccc(c2)C2(N=C(N)N3CCCN=C23)c2ccncc2)c1F |t:15,22| Show InChI InChI=1S/C24H22FN5O/c1-31-20-8-3-7-19(21(20)25)16-5-2-6-18(15-16)24(17-9-12-27-13-10-17)22-28-11-4-14-30(22)23(26)29-24/h2-3,5-10,12-13,15H,4,11,14H2,1H3,(H2,26,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human BACE-1 using (Eu)CEVNLDAEFK(Qsy7) as substrate preincubated for 10 mins prior substrate addition measured after 15 mins by FRET-b... |
Bioorg Med Chem Lett 22: 1854-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50300721
(8-(4-methoxyphenyl)-8-(3-(pyrimidin-5-yl)phenyl)-2...)Show SMILES COc1ccc(cc1)C1(N=C(N)N2CCCN=C12)c1cccc(c1)-c1cncnc1 |t:10,17| Show InChI InChI=1S/C23H22N6O/c1-30-20-8-6-18(7-9-20)23(21-27-10-3-11-29(21)22(24)28-23)19-5-2-4-16(12-19)17-13-25-15-26-14-17/h2,4-9,12-15H,3,10-11H2,1H3,(H2,24,28) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human BACE-1 using (Eu)CEVNLDAEFK(Qsy7) as substrate preincubated for 10 mins prior substrate addition measured after 15 mins by FRET-b... |
Bioorg Med Chem Lett 22: 1854-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50419861
(CHEMBL1957473)Show SMILES COc1ccc(cc1)C1(N=C(N)N2CC(F)(F)CN=C12)c1cccc(c1)-c1cncnc1 |t:10,19| Show InChI InChI=1S/C23H20F2N6O/c1-32-19-7-5-17(6-8-19)23(20-29-12-22(24,25)13-31(20)21(26)30-23)18-4-2-3-15(9-18)16-10-27-14-28-11-16/h2-11,14H,12-13H2,1H3,(H2,26,30) | 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human BACE-1 using (Eu)CEVNLDAEFK(Qsy7) as substrate preincubated for 10 mins prior substrate addition measured after 15 mins by FRET-b... |
Bioorg Med Chem Lett 22: 1854-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50419868
(CHEMBL1957472)Show SMILES NC1=NC(C2=NCC(F)(F)CN12)(c1ccncc1)c1cccc(c1)-c1cncnc1 |t:1,4| Show InChI InChI=1S/C21H17F2N7/c22-20(23)11-28-18-21(16-4-6-25-7-5-16,29-19(24)30(18)12-20)17-3-1-2-14(8-17)15-9-26-13-27-10-15/h1-10,13H,11-12H2,(H2,24,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human BACE-1 using (Eu)CEVNLDAEFK(Qsy7) as substrate preincubated for 10 mins prior substrate addition measured after 15 mins by FRET-b... |
Bioorg Med Chem Lett 22: 1854-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50419861
(CHEMBL1957473)Show SMILES COc1ccc(cc1)C1(N=C(N)N2CC(F)(F)CN=C12)c1cccc(c1)-c1cncnc1 |t:10,19| Show InChI InChI=1S/C23H20F2N6O/c1-32-19-7-5-17(6-8-19)23(20-29-12-22(24,25)13-31(20)21(26)30-23)18-4-2-3-15(9-18)16-10-27-14-28-11-16/h2-11,14H,12-13H2,1H3,(H2,26,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 182 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of BACE-1-mediated sAPPbeta production in human SH-SY5Y cells after 16 hrs |
Bioorg Med Chem Lett 22: 1854-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93 |
More data for this Ligand-Target Pair | |
Myeloperoxidase
(Homo sapiens (Human)) | BDBM92469
(2-Thioxanthine, TX4)Show SMILES O=c1[nH]c(=S)n(C[C@H]2CCCO2)c2nc[nH]c12 |r| Show InChI InChI=1S/C10H12N4O2S/c15-9-7-8(12-5-11-7)14(10(17)13-9)4-6-2-1-3-16-6/h5-6H,1-4H2,(H,11,12)(H,13,15,17)/t6-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | 7.4 | 21 |
AstraZeneca R&D
| Assay Description The chlorination activity of MPO was determined by measuring the production of hypocholorous acid. |
J Biol Chem 286: 37578-89 (2011)
Article DOI: 10.1074/jbc.M111.266981 BindingDB Entry DOI: 10.7270/Q2M32TCV |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Myeloperoxidase
(Homo sapiens (Human)) | BDBM92467
(2-Thioxanthine, TX2)Show InChI InChI=1S/C12H9FN4OS/c13-8-3-1-7(2-4-8)5-17-10-9(14-6-15-10)11(18)16-12(17)19/h1-4,6H,5H2,(H,14,15)(H,16,18,19) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | 7.4 | 21 |
AstraZeneca R&D
| Assay Description The chlorination activity of MPO was determined by measuring the production of hypocholorous acid. |
J Biol Chem 286: 37578-89 (2011)
Article DOI: 10.1074/jbc.M111.266981 BindingDB Entry DOI: 10.7270/Q2M32TCV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50419867
(CHEMBL1955882)Show SMILES NC1=NC(C2=NCCCN12)(c1ccncc1)c1cccc(c1)-c1cncnc1 |t:1,4| Show InChI InChI=1S/C21H19N7/c22-20-27-21(17-5-8-23-9-6-17,19-26-7-2-10-28(19)20)18-4-1-3-15(11-18)16-12-24-14-25-13-16/h1,3-6,8-9,11-14H,2,7,10H2,(H2,22,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 263 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human BACE-1 using (Eu)CEVNLDAEFK(Qsy7) as substrate preincubated for 10 mins prior substrate addition measured after 15 mins by FRET-b... |
Bioorg Med Chem Lett 22: 1854-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50419869
(CHEMBL1957477)Show SMILES COc1ccc(F)c(c1)-c1cccc(c1)C1(N=C(N)N2CC(F)(F)CN=C12)c1ccncc1 |t:18,27| Show InChI InChI=1S/C24H20F3N5O/c1-33-18-5-6-20(25)19(12-18)15-3-2-4-17(11-15)24(16-7-9-29-10-8-16)21-30-13-23(26,27)14-32(21)22(28)31-24/h2-12H,13-14H2,1H3,(H2,28,31) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 282 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of BACE-1-mediated sAPPbeta production in human SH-SY5Y cells after 16 hrs |
Bioorg Med Chem Lett 22: 1854-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93 |
More data for this Ligand-Target Pair | |
Myeloperoxidase
(Homo sapiens (Human)) | BDBM92470
(2-Thioxanthine, TX5)Show InChI InChI=1S/C8H10N4O2S/c1-14-3-2-12-6-5(9-4-10-6)7(13)11-8(12)15/h4H,2-3H2,1H3,(H,9,10)(H,11,13,15) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | 7.4 | 21 |
AstraZeneca R&D
| Assay Description The chlorination activity of MPO was determined by measuring the production of hypocholorous acid. |
J Biol Chem 286: 37578-89 (2011)
Article DOI: 10.1074/jbc.M111.266981 BindingDB Entry DOI: 10.7270/Q2M32TCV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Myeloperoxidase
(Homo sapiens (Human)) | BDBM92468
(2-Thioxanthine, TX3)Show InChI InChI=1S/C10H12N4O2S/c15-9-7-8(12-5-11-7)14(10(17)13-9)4-6-2-1-3-16-6/h5-6H,1-4H2,(H,11,12)(H,13,15,17) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | 7.4 | 21 |
AstraZeneca R&D
| Assay Description The chlorination activity of MPO was determined by measuring the production of hypocholorous acid. |
J Biol Chem 286: 37578-89 (2011)
Article DOI: 10.1074/jbc.M111.266981 BindingDB Entry DOI: 10.7270/Q2M32TCV |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Myeloperoxidase
(Homo sapiens (Human)) | BDBM92466
(2-Thioxanthine, TX1)Show InChI InChI=1S/C9H12N4OS/c1-5(2)3-13-7-6(10-4-11-7)8(14)12-9(13)15/h4-5H,3H2,1-2H3,(H,10,11)(H,12,14,15) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | 7.4 | 21 |
AstraZeneca R&D
| Assay Description The chlorination activity of MPO was determined by measuring the production of hypocholorous acid. |
J Biol Chem 286: 37578-89 (2011)
Article DOI: 10.1074/jbc.M111.266981 BindingDB Entry DOI: 10.7270/Q2M32TCV |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50419868
(CHEMBL1957472)Show SMILES NC1=NC(C2=NCC(F)(F)CN12)(c1ccncc1)c1cccc(c1)-c1cncnc1 |t:1,4| Show InChI InChI=1S/C21H17F2N7/c22-20(23)11-28-18-21(16-4-6-25-7-5-16,29-19(24)30(18)12-20)17-3-1-2-14(8-17)15-9-26-13-27-10-15/h1-10,13H,11-12H2,(H2,24,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of BACE-1-mediated sAPPbeta production in human SH-SY5Y cells after 16 hrs |
Bioorg Med Chem Lett 22: 1854-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93 |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50419870
(CHEMBL1957479)Show SMILES COc1ccc(cc1)C1(N=C(N)N2CC(F)(F)CN=C12)c1cccc(Br)c1 |t:10,19| Show InChI InChI=1S/C19H17BrF2N4O/c1-27-15-7-5-12(6-8-15)19(13-3-2-4-14(20)9-13)16-24-10-18(21,22)11-26(16)17(23)25-19/h2-9H,10-11H2,1H3,(H2,23,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human BACE-1 using (Eu)CEVNLDAEFK(Qsy7) as substrate preincubated for 10 mins prior substrate addition measured after 15 mins by FRET-b... |
Bioorg Med Chem Lett 22: 1854-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.079 BindingDB Entry DOI: 10.7270/Q2Z60Q93 |
More data for this Ligand-Target Pair | |