Found 35 hits Enz. Inhib. hit(s) with all data for entry = 50031465 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)) | BDBM50313806
((1R,3S)-N-((2S,3S)-3-hydroxy-4-(3-isopropylbenzyla...)Show SMILES CC(C)c1cccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)N2CCCCC2=O)c1 |r| Show InChI InChI=1S/C35H51N3O3/c1-25(2)28-15-10-14-27(20-28)23-36-24-32(39)31(21-26-12-6-5-7-13-26)37-34(41)29-16-11-17-30(22-29)35(3,4)38-19-9-8-18-33(38)40/h5-7,10,12-15,20,25,29-32,36,39H,8-9,11,16-19,21-24H2,1-4H3,(H,37,41)/t29-,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 | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50313798
((2R,4S,5S)-5-((S)-2-((S)-2-acetamido-4-methylpenta...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C27H52N4O5S/c1-9-10-12-28-25(34)19(6)16-24(33)22(14-17(2)3)31-26(35)21(11-13-37-8)30-27(36)23(15-18(4)5)29-20(7)32/h17-19,21-24,33H,9-16H2,1-8H3,(H,28,34)(H,29,32)(H,30,36)(H,31,35)/t19-,21+,22+,23+,24+/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
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of Cathepsin D |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50313805
((1R,3S)-N-((2S,3S)-3-hydroxy-4-(3-isopropylbenzyla...)Show SMILES CC(C)c1cccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)N2CCCC2=O)c1 |r| Show InChI InChI=1S/C34H49N3O3/c1-24(2)27-14-8-13-26(19-27)22-35-23-31(38)30(20-25-11-6-5-7-12-25)36-33(40)28-15-9-16-29(21-28)34(3,4)37-18-10-17-32(37)39/h5-8,11-14,19,24,28-31,35,38H,9-10,15-18,20-23H2,1-4H3,(H,36,40)/t28-,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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50313796
((2R,4S,5S)-5-((S)-2-((S)-2-acetamidopropanamido)-4...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(C)=O |r| Show InChI InChI=1S/C24H46N4O5S/c1-8-9-11-25-22(31)16(4)14-21(30)20(13-15(2)3)28-24(33)19(10-12-34-7)27-23(32)17(5)26-18(6)29/h15-17,19-21,30H,8-14H2,1-7H3,(H,25,31)(H,26,29)(H,27,32)(H,28,33)/t16-,17+,19+,20+,21+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of Cathepsin D |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50313797
((2R,4S,5S)-5-((S)-2-((S)-2-acetamido-3-methylbutan...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(C)=O)C(C)C |r| Show InChI InChI=1S/C26H50N4O5S/c1-9-10-12-27-24(33)18(6)15-22(32)21(14-16(2)3)30-25(34)20(11-13-36-8)29-26(35)23(17(4)5)28-19(7)31/h16-18,20-23,32H,9-15H2,1-8H3,(H,27,33)(H,28,31)(H,29,35)(H,30,34)/t18-,20+,21+,22+,23+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of Cathepsin D |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50313798
((2R,4S,5S)-5-((S)-2-((S)-2-acetamido-4-methylpenta...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C27H52N4O5S/c1-9-10-12-28-25(34)19(6)16-24(33)22(14-17(2)3)31-26(35)21(11-13-37-8)30-27(36)23(15-18(4)5)29-20(7)32/h17-19,21-24,33H,9-16H2,1-8H3,(H,28,34)(H,29,32)(H,30,36)(H,31,35)/t19-,21+,22+,23+,24+/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 | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50313806
((1R,3S)-N-((2S,3S)-3-hydroxy-4-(3-isopropylbenzyla...)Show SMILES CC(C)c1cccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)N2CCCCC2=O)c1 |r| Show InChI InChI=1S/C35H51N3O3/c1-25(2)28-15-10-14-27(20-28)23-36-24-32(39)31(21-26-12-6-5-7-13-26)37-34(41)29-16-11-17-30(22-29)35(3,4)38-19-9-8-18-33(38)40/h5-7,10,12-15,20,25,29-32,36,39H,8-9,11,16-19,21-24H2,1-4H3,(H,37,41)/t29-,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 | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 expressed in CHO cells co-transfected with human APP assessed as inhibition of cellular release of Abeta 40 after 24 hrs |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM16077
((2R,4S,5S)-N-butyl-5-[(2S)-2-[(2S)-2-acetamido-4-m...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C25H48N4O5/c1-9-10-11-26-23(32)17(6)14-22(31)20(12-15(2)3)29-24(33)18(7)27-25(34)21(13-16(4)5)28-19(8)30/h15-18,20-22,31H,9-14H2,1-8H3,(H,26,32)(H,27,34)(H,28,30)(H,29,33)/t17-,18+,20+,21+,22+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50313806
((1R,3S)-N-((2S,3S)-3-hydroxy-4-(3-isopropylbenzyla...)Show SMILES CC(C)c1cccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)N2CCCCC2=O)c1 |r| Show InChI InChI=1S/C35H51N3O3/c1-25(2)28-15-10-14-27(20-28)23-36-24-32(39)31(21-26-12-6-5-7-13-26)37-34(41)29-16-11-17-30(22-29)35(3,4)38-19-9-8-18-33(38)40/h5-7,10,12-15,20,25,29-32,36,39H,8-9,11,16-19,21-24H2,1-4H3,(H,37,41)/t29-,30+,31+,32+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of Cathepsin D |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50313805
((1R,3S)-N-((2S,3S)-3-hydroxy-4-(3-isopropylbenzyla...)Show SMILES CC(C)c1cccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)N2CCCC2=O)c1 |r| Show InChI InChI=1S/C34H49N3O3/c1-24(2)27-14-8-13-26(19-27)22-35-23-31(38)30(20-25-11-6-5-7-12-25)36-33(40)28-15-9-16-29(21-28)34(3,4)37-18-10-17-32(37)39/h5-8,11-14,19,24,28-31,35,38H,9-10,15-18,20-23H2,1-4H3,(H,36,40)/t28-,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 | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 expressed in CHO cells co-transfected with human APP assessed as inhibition of cellular release of Abeta 40 after 24 hrs |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50313806
((1R,3S)-N-((2S,3S)-3-hydroxy-4-(3-isopropylbenzyla...)Show SMILES CC(C)c1cccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)N2CCCCC2=O)c1 |r| Show InChI InChI=1S/C35H51N3O3/c1-25(2)28-15-10-14-27(20-28)23-36-24-32(39)31(21-26-12-6-5-7-13-26)37-34(41)29-16-11-17-30(22-29)35(3,4)38-19-9-8-18-33(38)40/h5-7,10,12-15,20,25,29-32,36,39H,8-9,11,16-19,21-24H2,1-4H3,(H,37,41)/t29-,30+,31+,32+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50313799
((1R,3S)-3-((S)-1-acetamido-2-methylpropyl)-N-((2S,...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[C@@H](C1)[C@@H](NC(C)=O)C(C)C |r| Show InChI InChI=1S/C30H49N3O4/c1-6-7-16-31-29(36)21(4)17-27(35)26(18-23-12-9-8-10-13-23)33-30(37)25-15-11-14-24(19-25)28(20(2)3)32-22(5)34/h8-10,12-13,20-21,24-28,35H,6-7,11,14-19H2,1-5H3,(H,31,36)(H,32,34)(H,33,37)/t21-,24+,25-,26+,27+,28+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of Cathepsin D |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50313804
((1R,3S)-N-((2S,3S)-3-hydroxy-4-(3-isopropylbenzyla...)Show SMILES CCC(=O)N(C)C(C)(C)[C@H]1CCC[C@H](C1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNCc1cccc(c1)C(C)C |r| Show InChI InChI=1S/C34H51N3O3/c1-7-32(39)37(6)34(4,5)29-18-12-17-28(21-29)33(40)36-30(20-25-13-9-8-10-14-25)31(38)23-35-22-26-15-11-16-27(19-26)24(2)3/h8-11,13-16,19,24,28-31,35,38H,7,12,17-18,20-23H2,1-6H3,(H,36,40)/t28-,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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50313801
((1R,3S)-3-(1-acetamidocyclopentyl)-N-((2S,3S,5R)-6...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[C@@H](C1)C1(CCCC1)NC(C)=O |r| Show InChI InChI=1S/C31H49N3O4/c1-4-5-18-32-29(37)22(2)19-28(36)27(20-24-12-7-6-8-13-24)33-30(38)25-14-11-15-26(21-25)31(34-23(3)35)16-9-10-17-31/h6-8,12-13,22,25-28,36H,4-5,9-11,14-21H2,1-3H3,(H,32,37)(H,33,38)(H,34,35)/t22-,25-,26+,27+,28+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of Cathepsin D |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50313799
((1R,3S)-3-((S)-1-acetamido-2-methylpropyl)-N-((2S,...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[C@@H](C1)[C@@H](NC(C)=O)C(C)C |r| Show InChI InChI=1S/C30H49N3O4/c1-6-7-16-31-29(36)21(4)17-27(35)26(18-23-12-9-8-10-13-23)33-30(37)25-15-11-14-24(19-25)28(20(2)3)32-22(5)34/h8-10,12-13,20-21,24-28,35H,6-7,11,14-19H2,1-5H3,(H,31,36)(H,32,34)(H,33,37)/t21-,24+,25-,26+,27+,28+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50313804
((1R,3S)-N-((2S,3S)-3-hydroxy-4-(3-isopropylbenzyla...)Show SMILES CCC(=O)N(C)C(C)(C)[C@H]1CCC[C@H](C1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNCc1cccc(c1)C(C)C |r| Show InChI InChI=1S/C34H51N3O3/c1-7-32(39)37(6)34(4,5)29-18-12-17-28(21-29)33(40)36-30(20-25-13-9-8-10-14-25)31(38)23-35-22-26-15-11-16-27(19-26)24(2)3/h8-11,13-16,19,24,28-31,35,38H,7,12,17-18,20-23H2,1-6H3,(H,36,40)/t28-,29+,30+,31+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50313800
((1R,3S)-3-(2-acetamidopropan-2-yl)-N-((2S,3S,5R)-6...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[C@@H](C1)C(C)(C)NC(C)=O |r| Show InChI InChI=1S/C29H47N3O4/c1-6-7-16-30-27(35)20(2)17-26(34)25(18-22-12-9-8-10-13-22)31-28(36)23-14-11-15-24(19-23)29(4,5)32-21(3)33/h8-10,12-13,20,23-26,34H,6-7,11,14-19H2,1-5H3,(H,30,35)(H,31,36)(H,32,33)/t20-,23-,24+,25+,26+/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
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of Cathepsin D |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM16077
((2R,4S,5S)-N-butyl-5-[(2S)-2-[(2S)-2-acetamido-4-m...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(C)=O |r| Show InChI InChI=1S/C25H48N4O5/c1-9-10-11-26-23(32)17(6)14-22(31)20(12-15(2)3)29-24(33)18(7)27-25(34)21(13-16(4)5)28-19(8)30/h15-18,20-22,31H,9-14H2,1-8H3,(H,26,32)(H,27,34)(H,28,30)(H,29,33)/t17-,18+,20+,21+,22+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of Cathepsin D |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50313797
((2R,4S,5S)-5-((S)-2-((S)-2-acetamido-3-methylbutan...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(C)=O)C(C)C |r| Show InChI InChI=1S/C26H50N4O5S/c1-9-10-12-27-24(33)18(6)15-22(32)21(14-16(2)3)30-25(34)20(11-13-36-8)29-26(35)23(17(4)5)28-19(7)31/h16-18,20-23,32H,9-15H2,1-8H3,(H,27,33)(H,28,31)(H,29,35)(H,30,34)/t18-,20+,21+,22+,23+/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 | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50313800
((1R,3S)-3-(2-acetamidopropan-2-yl)-N-((2S,3S,5R)-6...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[C@@H](C1)C(C)(C)NC(C)=O |r| Show InChI InChI=1S/C29H47N3O4/c1-6-7-16-30-27(35)20(2)17-26(34)25(18-22-12-9-8-10-13-22)31-28(36)23-14-11-15-24(19-23)29(4,5)32-21(3)33/h8-10,12-13,20,23-26,34H,6-7,11,14-19H2,1-5H3,(H,30,35)(H,31,36)(H,32,33)/t20-,23-,24+,25+,26+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50313804
((1R,3S)-N-((2S,3S)-3-hydroxy-4-(3-isopropylbenzyla...)Show SMILES CCC(=O)N(C)C(C)(C)[C@H]1CCC[C@H](C1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNCc1cccc(c1)C(C)C |r| Show InChI InChI=1S/C34H51N3O3/c1-7-32(39)37(6)34(4,5)29-18-12-17-28(21-29)33(40)36-30(20-25-13-9-8-10-14-25)31(38)23-35-22-26-15-11-16-27(19-26)24(2)3/h8-11,13-16,19,24,28-31,35,38H,7,12,17-18,20-23H2,1-6H3,(H,36,40)/t28-,29+,30+,31+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of Cathepsin D |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50313805
((1R,3S)-N-((2S,3S)-3-hydroxy-4-(3-isopropylbenzyla...)Show SMILES CC(C)c1cccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)N2CCCC2=O)c1 |r| Show InChI InChI=1S/C34H49N3O3/c1-24(2)27-14-8-13-26(19-27)22-35-23-31(38)30(20-25-11-6-5-7-12-25)36-33(40)28-15-9-16-29(21-28)34(3,4)37-18-10-17-32(37)39/h5-8,11-14,19,24,28-31,35,38H,9-10,15-18,20-23H2,1-4H3,(H,36,40)/t28-,29+,30+,31+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of Cathepsin D |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50313803
((1R,3S)-N-((2S,3S)-3-hydroxy-4-(3-isopropylbenzyla...)Show SMILES CCC(=O)NC(C)(C)[C@H]1CCC[C@H](C1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNCc1cccc(c1)C(C)C |r| Show InChI InChI=1S/C33H49N3O3/c1-6-31(38)36-33(4,5)28-17-11-16-27(20-28)32(39)35-29(19-24-12-8-7-9-13-24)30(37)22-34-21-25-14-10-15-26(18-25)23(2)3/h7-10,12-15,18,23,27-30,34,37H,6,11,16-17,19-22H2,1-5H3,(H,35,39)(H,36,38)/t27-,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 | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50313804
((1R,3S)-N-((2S,3S)-3-hydroxy-4-(3-isopropylbenzyla...)Show SMILES CCC(=O)N(C)C(C)(C)[C@H]1CCC[C@H](C1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNCc1cccc(c1)C(C)C |r| Show InChI InChI=1S/C34H51N3O3/c1-7-32(39)37(6)34(4,5)29-18-12-17-28(21-29)33(40)36-30(20-25-13-9-8-10-14-25)31(38)23-35-22-26-15-11-16-27(19-26)24(2)3/h8-11,13-16,19,24,28-31,35,38H,7,12,17-18,20-23H2,1-6H3,(H,36,40)/t28-,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 | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 expressed in CHO cells co-transfected with human APP assessed as inhibition of cellular release of Abeta 40 after 24 hrs |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50313799
((1R,3S)-3-((S)-1-acetamido-2-methylpropyl)-N-((2S,...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[C@@H](C1)[C@@H](NC(C)=O)C(C)C |r| Show InChI InChI=1S/C30H49N3O4/c1-6-7-16-31-29(36)21(4)17-27(35)26(18-23-12-9-8-10-13-23)33-30(37)25-15-11-14-24(19-25)28(20(2)3)32-22(5)34/h8-10,12-13,20-21,24-28,35H,6-7,11,14-19H2,1-5H3,(H,31,36)(H,32,34)(H,33,37)/t21-,24+,25-,26+,27+,28+/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 | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50313805
((1R,3S)-N-((2S,3S)-3-hydroxy-4-(3-isopropylbenzyla...)Show SMILES CC(C)c1cccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)N2CCCC2=O)c1 |r| Show InChI InChI=1S/C34H49N3O3/c1-24(2)27-14-8-13-26(19-27)22-35-23-31(38)30(20-25-11-6-5-7-12-25)36-33(40)28-15-9-16-29(21-28)34(3,4)37-18-10-17-32(37)39/h5-8,11-14,19,24,28-31,35,38H,9-10,15-18,20-23H2,1-4H3,(H,36,40)/t28-,29+,30+,31+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 960 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50313801
((1R,3S)-3-(1-acetamidocyclopentyl)-N-((2S,3S,5R)-6...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[C@@H](C1)C1(CCCC1)NC(C)=O |r| Show InChI InChI=1S/C31H49N3O4/c1-4-5-18-32-29(37)22(2)19-28(36)27(20-24-12-7-6-8-13-24)33-30(38)25-14-11-15-26(21-25)31(34-23(3)35)16-9-10-17-31/h6-8,12-13,22,25-28,36H,4-5,9-11,14-21H2,1-3H3,(H,32,37)(H,33,38)(H,34,35)/t22-,25-,26+,27+,28+/m1/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 |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50313801
((1R,3S)-3-(1-acetamidocyclopentyl)-N-((2S,3S,5R)-6...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[C@@H](C1)C1(CCCC1)NC(C)=O |r| Show InChI InChI=1S/C31H49N3O4/c1-4-5-18-32-29(37)22(2)19-28(36)27(20-24-12-7-6-8-13-24)33-30(38)25-14-11-15-26(21-25)31(34-23(3)35)16-9-10-17-31/h6-8,12-13,22,25-28,36H,4-5,9-11,14-21H2,1-3H3,(H,32,37)(H,33,38)(H,34,35)/t22-,25-,26+,27+,28+/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 | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50313800
((1R,3S)-3-(2-acetamidopropan-2-yl)-N-((2S,3S,5R)-6...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[C@@H](C1)C(C)(C)NC(C)=O |r| Show InChI InChI=1S/C29H47N3O4/c1-6-7-16-30-27(35)20(2)17-26(34)25(18-22-12-9-8-10-13-22)31-28(36)23-14-11-15-24(19-23)29(4,5)32-21(3)33/h8-10,12-13,20,23-26,34H,6-7,11,14-19H2,1-5H3,(H,30,35)(H,31,36)(H,32,33)/t20-,23-,24+,25+,26+/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 | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50313803
((1R,3S)-N-((2S,3S)-3-hydroxy-4-(3-isopropylbenzyla...)Show SMILES CCC(=O)NC(C)(C)[C@H]1CCC[C@H](C1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNCc1cccc(c1)C(C)C |r| Show InChI InChI=1S/C33H49N3O3/c1-6-31(38)36-33(4,5)28-17-11-16-27(20-28)32(39)35-29(19-24-12-8-7-9-13-24)30(37)22-34-21-25-14-10-15-26(18-25)23(2)3/h7-10,12-15,18,23,27-30,34,37H,6,11,16-17,19-22H2,1-5H3,(H,35,39)(H,36,38)/t27-,28+,29+,30+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50313802
((1R,3S)-3-(2-acetamidopropan-2-yl)-N-((2S,3S)-3-hy...)Show SMILES CC(C)c1cccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)NC(C)=O)c1 |r| Show InChI InChI=1S/C32H47N3O3/c1-22(2)26-14-9-13-25(17-26)20-33-21-30(37)29(18-24-11-7-6-8-12-24)34-31(38)27-15-10-16-28(19-27)32(4,5)35-23(3)36/h6-9,11-14,17,22,27-30,33,37H,10,15-16,18-21H2,1-5H3,(H,34,38)(H,35,36)/t27-,28+,29+,30+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50313796
((2R,4S,5S)-5-((S)-2-((S)-2-acetamidopropanamido)-4...)Show SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(C)=O |r| Show InChI InChI=1S/C24H46N4O5S/c1-8-9-11-25-22(31)16(4)14-21(30)20(13-15(2)3)28-24(33)19(10-12-34-7)27-23(32)17(5)26-18(6)29/h15-17,19-21,30H,8-14H2,1-7H3,(H,25,31)(H,26,29)(H,27,32)(H,28,33)/t16-,17+,19+,20+,21+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
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 |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50313802
((1R,3S)-3-(2-acetamidopropan-2-yl)-N-((2S,3S)-3-hy...)Show SMILES CC(C)c1cccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)NC(C)=O)c1 |r| Show InChI InChI=1S/C32H47N3O3/c1-22(2)26-14-9-13-25(17-26)20-33-21-30(37)29(18-24-11-7-6-8-12-24)34-31(38)27-15-10-16-28(19-27)32(4,5)35-23(3)36/h6-9,11-14,17,22,27-30,33,37H,10,15-16,18-21H2,1-5H3,(H,34,38)(H,35,36)/t27-,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 | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50313803
((1R,3S)-N-((2S,3S)-3-hydroxy-4-(3-isopropylbenzyla...)Show SMILES CCC(=O)NC(C)(C)[C@H]1CCC[C@H](C1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNCc1cccc(c1)C(C)C |r| Show InChI InChI=1S/C33H49N3O3/c1-6-31(38)36-33(4,5)28-17-11-16-27(20-28)32(39)35-29(19-24-12-8-7-9-13-24)30(37)22-34-21-25-14-10-15-26(18-25)23(2)3/h7-10,12-15,18,23,27-30,34,37H,6,11,16-17,19-22H2,1-5H3,(H,35,39)(H,36,38)/t27-,28+,29+,30+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of Cathepsin D |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50313802
((1R,3S)-3-(2-acetamidopropan-2-yl)-N-((2S,3S)-3-hy...)Show SMILES CC(C)c1cccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)NC(C)=O)c1 |r| Show InChI InChI=1S/C32H47N3O3/c1-22(2)26-14-9-13-25(17-26)20-33-21-30(37)29(18-24-11-7-6-8-12-24)34-31(38)27-15-10-16-28(19-27)32(4,5)35-23(3)36/h6-9,11-14,17,22,27-30,33,37H,10,15-16,18-21H2,1-5H3,(H,34,38)(H,35,36)/t27-,28+,29+,30+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of Cathepsin D |
Bioorg Med Chem Lett 20: 1924-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.139
BindingDB Entry DOI: 10.7270/Q2TD9XHH |
More data for this
Ligand-Target Pair | |
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