Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50045030 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)) | BDBM50042296
(CHEMBL3352906)Show SMILES CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)Cc1nc(C)cs1)C(C)C |r| Show InChI InChI=1S/C35H62N6O7S/c1-19(2)13-25(27(42)14-22(7)31(44)41-29(21(5)6)33(46)36-16-20(3)4)39-32(45)26(17-37-34(47)48-35(10,11)12)40-30(43)23(8)15-28-38-24(9)18-49-28/h18-23,25-27,29,42H,13-17H2,1-12H3,(H,36,46)(H,37,47)(H,39,45)(H,40,43)(H,41,44)/t22-,23+,25+,26+,27+,29+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BACE1 (unknown origin) |
Bioorg Med Chem Lett 25: 668-72 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.087
BindingDB Entry DOI: 10.7270/Q2N58P0J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM16253
((3,5-dimethyl-1H-pyrazol-1-yl)methyl N-[(1R)-1-{[(...)Show SMILES CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OCn1nc(C)cc1C)C(C)C |r| Show InChI InChI=1S/C30H54N6O8S/c1-17(2)11-23(25(37)12-20(7)27(38)34-26(19(5)6)29(40)31-14-18(3)4)32-28(39)24(15-45(10,42)43)33-30(41)44-16-36-22(9)13-21(8)35-36/h13,17-20,23-26,37H,11-12,14-16H2,1-10H3,(H,31,40)(H,32,39)(H,33,41)(H,34,38)/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
Patents
Similars
| MMDB
PDB
Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BACE1 (unknown origin) |
Bioorg Med Chem Lett 25: 668-72 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.087
BindingDB Entry DOI: 10.7270/Q2N58P0J |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cathepsin D
(Homo sapiens (Human)) | BDBM50042296
(CHEMBL3352906)Show SMILES CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)Cc1nc(C)cs1)C(C)C |r| Show InChI InChI=1S/C35H62N6O7S/c1-19(2)13-25(27(42)14-22(7)31(44)41-29(21(5)6)33(46)36-16-20(3)4)39-32(45)26(17-37-34(47)48-35(10,11)12)40-30(43)23(8)15-28-38-24(9)18-49-28/h18-23,25-27,29,42H,13-17H2,1-12H3,(H,36,46)(H,37,47)(H,39,45)(H,40,43)(H,41,44)/t22-,23+,25+,26+,27+,29+/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
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of Cathepsin D (unknown origin) |
Bioorg Med Chem Lett 25: 668-72 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.087
BindingDB Entry DOI: 10.7270/Q2N58P0J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50042285
(CHEMBL3361302)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29-,30+,34-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BACE1 (unknown origin) |
Bioorg Med Chem Lett 25: 668-72 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.087
BindingDB Entry DOI: 10.7270/Q2N58P0J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50042297
(CHEMBL3361313)Show SMILES CC[C@@H](Cc1nc(C)cs1)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C |r| Show InChI InChI=1S/C36H64N6O7S/c1-13-25(16-29-39-24(9)19-50-29)32(45)41-27(18-38-35(48)49-36(10,11)12)33(46)40-26(14-20(2)3)28(43)15-23(8)31(44)42-30(22(6)7)34(47)37-17-21(4)5/h19-23,25-28,30,43H,13-18H2,1-12H3,(H,37,47)(H,38,48)(H,40,46)(H,41,45)(H,42,44)/t23-,25+,26+,27+,28+,30+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BACE1 (unknown origin) |
Bioorg Med Chem Lett 25: 668-72 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.087
BindingDB Entry DOI: 10.7270/Q2N58P0J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50042295
(CHEMBL3361312)Show SMILES CC[C@@H](Cc1csc(C)n1)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C |r| Show InChI InChI=1S/C36H64N6O7S/c1-13-25(16-26-19-50-24(9)39-26)32(45)41-28(18-38-35(48)49-36(10,11)12)33(46)40-27(14-20(2)3)29(43)15-23(8)31(44)42-30(22(6)7)34(47)37-17-21(4)5/h19-23,25,27-30,43H,13-18H2,1-12H3,(H,37,47)(H,38,48)(H,40,46)(H,41,45)(H,42,44)/t23-,25+,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
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BACE1 (unknown origin) |
Bioorg Med Chem Lett 25: 668-72 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.087
BindingDB Entry DOI: 10.7270/Q2N58P0J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50042298
(CHEMBL3361314)Show SMILES CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](Cc1nc(C)cs1)C(C)C)C(C)C |r| Show InChI InChI=1S/C37H66N6O7S/c1-20(2)14-27(29(44)15-24(9)32(45)43-31(23(7)8)35(48)38-17-21(3)4)41-34(47)28(18-39-36(49)50-37(11,12)13)42-33(46)26(22(5)6)16-30-40-25(10)19-51-30/h19-24,26-29,31,44H,14-18H2,1-13H3,(H,38,48)(H,39,49)(H,41,47)(H,42,46)(H,43,45)/t24-,26-,27+,28+,29+,31+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BACE1 (unknown origin) |
Bioorg Med Chem Lett 25: 668-72 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.087
BindingDB Entry DOI: 10.7270/Q2N58P0J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50042294
(CHEMBL3361311)Show SMILES CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)Cc1csc(C)n1)C(C)C |r| Show InChI InChI=1S/C35H62N6O7S/c1-19(2)13-26(28(42)15-23(8)31(44)41-29(21(5)6)33(46)36-16-20(3)4)39-32(45)27(17-37-34(47)48-35(10,11)12)40-30(43)22(7)14-25-18-49-24(9)38-25/h18-23,26-29,42H,13-17H2,1-12H3,(H,36,46)(H,37,47)(H,39,45)(H,40,43)(H,41,44)/t22-,23+,26-,27-,28-,29-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BACE1 (unknown origin) |
Bioorg Med Chem Lett 25: 668-72 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.087
BindingDB Entry DOI: 10.7270/Q2N58P0J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50042286
(CHEMBL3361303)Show SMILES CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)Cn1nc(C)cc1C)C(C)C |r| Show InChI InChI=1S/C36H65N7O7/c1-20(2)14-27(29(44)15-23(7)31(45)41-30(22(5)6)34(48)37-17-21(3)4)39-33(47)28(18-38-35(49)50-36(11,12)13)40-32(46)24(8)19-43-26(10)16-25(9)42-43/h16,20-24,27-30,44H,14-15,17-19H2,1-13H3,(H,37,48)(H,38,49)(H,39,47)(H,40,46)(H,41,45)/t23-,24+,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
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BACE1 (unknown origin) |
Bioorg Med Chem Lett 25: 668-72 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.087
BindingDB Entry DOI: 10.7270/Q2N58P0J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50042288
(CHEMBL3361305)Show SMILES CC[C@@H](Cn1nc(C)cc1C)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C |r| Show InChI InChI=1S/C37H67N7O7/c1-14-27(20-44-26(10)17-25(9)43-44)33(47)41-29(19-39-36(50)51-37(11,12)13)34(48)40-28(15-21(2)3)30(45)16-24(8)32(46)42-31(23(6)7)35(49)38-18-22(4)5/h17,21-24,27-31,45H,14-16,18-20H2,1-13H3,(H,38,49)(H,39,50)(H,40,48)(H,41,47)(H,42,46)/t24-,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
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BACE1 (unknown origin) |
Bioorg Med Chem Lett 25: 668-72 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.087
BindingDB Entry DOI: 10.7270/Q2N58P0J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50042292
(CHEMBL3361309)Show SMILES CSC[C@H](NC(=O)[C@@H](C)Cn1nc(C)cc1C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C |r| Show InChI InChI=1S/C32H58N6O5S/c1-18(2)12-25(27(39)13-21(7)29(40)36-28(20(5)6)32(43)33-15-19(3)4)34-31(42)26(17-44-11)35-30(41)22(8)16-38-24(10)14-23(9)37-38/h14,18-22,25-28,39H,12-13,15-17H2,1-11H3,(H,33,43)(H,34,42)(H,35,41)(H,36,40)/t21-,22+,25+,26+,27+,28+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BACE1 (unknown origin) |
Bioorg Med Chem Lett 25: 668-72 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.087
BindingDB Entry DOI: 10.7270/Q2N58P0J |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50042296
(CHEMBL3352906)Show SMILES CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)Cc1nc(C)cs1)C(C)C |r| Show InChI InChI=1S/C35H62N6O7S/c1-19(2)13-25(27(42)14-22(7)31(44)41-29(21(5)6)33(46)36-16-20(3)4)39-32(45)26(17-37-34(47)48-35(10,11)12)40-30(43)23(8)15-28-38-24(9)18-49-28/h18-23,25-27,29,42H,13-17H2,1-12H3,(H,36,46)(H,37,47)(H,39,45)(H,40,43)(H,41,44)/t22-,23+,25+,26+,27+,29+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of memapsin 1 (unknown origin) |
Bioorg Med Chem Lett 25: 668-72 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.087
BindingDB Entry DOI: 10.7270/Q2N58P0J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50042290
(CHEMBL3361307)Show SMILES CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](CC(C)C)Cn1nc(C)cc1C)C(C)C |r| Show InChI InChI=1S/C39H71N7O7/c1-22(2)15-29(21-46-28(11)18-27(10)45-46)35(49)43-31(20-41-38(52)53-39(12,13)14)36(50)42-30(16-23(3)4)32(47)17-26(9)34(48)44-33(25(7)8)37(51)40-19-24(5)6/h18,22-26,29-33,47H,15-17,19-21H2,1-14H3,(H,40,51)(H,41,52)(H,42,50)(H,43,49)(H,44,48)/t26-,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
| 148 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BACE1 (unknown origin) |
Bioorg Med Chem Lett 25: 668-72 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.087
BindingDB Entry DOI: 10.7270/Q2N58P0J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50042293
(CHEMBL3361310)Show SMILES CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CS(C)(=O)=O)NC(=O)[C@@H](C)Cn1nc(C)cc1C)C(C)C |r| Show InChI InChI=1S/C32H58N6O7S/c1-18(2)12-25(27(39)13-21(7)29(40)36-28(20(5)6)32(43)33-15-19(3)4)34-31(42)26(17-46(11,44)45)35-30(41)22(8)16-38-24(10)14-23(9)37-38/h14,18-22,25-28,39H,12-13,15-17H2,1-11H3,(H,33,43)(H,34,42)(H,35,41)(H,36,40)/t21-,22+,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
| 192 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BACE1 (unknown origin) |
Bioorg Med Chem Lett 25: 668-72 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.087
BindingDB Entry DOI: 10.7270/Q2N58P0J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50042291
(CHEMBL3361308)Show SMILES CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)Cn1ccc(C)n1)C(C)C |r| Show InChI InChI=1S/C35H63N7O7/c1-20(2)15-26(28(43)16-23(7)30(44)40-29(22(5)6)33(47)36-17-21(3)4)38-32(46)27(18-37-34(48)49-35(10,11)12)39-31(45)24(8)19-42-14-13-25(9)41-42/h13-14,20-24,26-29,43H,15-19H2,1-12H3,(H,36,47)(H,37,48)(H,38,46)(H,39,45)(H,40,44)/t23-,24+,26+,27+,28+,29+/m1/s1 | PDB
MMDB
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UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 201 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BACE1 (unknown origin) |
Bioorg Med Chem Lett 25: 668-72 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.087
BindingDB Entry DOI: 10.7270/Q2N58P0J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50042289
(CHEMBL3361306)Show SMILES CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](Cn1nc(C)cc1C)C(C)C)C(C)C |r| Show InChI InChI=1S/C38H69N7O7/c1-21(2)15-29(31(46)16-25(9)33(47)43-32(24(7)8)36(50)39-18-22(3)4)41-35(49)30(19-40-37(51)52-38(12,13)14)42-34(48)28(23(5)6)20-45-27(11)17-26(10)44-45/h17,21-25,28-32,46H,15-16,18-20H2,1-14H3,(H,39,50)(H,40,51)(H,41,49)(H,42,48)(H,43,47)/t25-,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
| 471 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BACE1 (unknown origin) |
Bioorg Med Chem Lett 25: 668-72 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.087
BindingDB Entry DOI: 10.7270/Q2N58P0J |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50042287
(CHEMBL3361304)Show SMILES CC(C)CNC(=O)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H](C)Cn1nc(C)cc1C)C(C)C |r| Show InChI InChI=1S/C36H65N7O7/c1-20(2)14-27(29(44)15-23(7)31(45)41-30(22(5)6)34(48)37-17-21(3)4)39-33(47)28(18-38-35(49)50-36(11,12)13)40-32(46)24(8)19-43-26(10)16-25(9)42-43/h16,20-24,27-30,44H,14-15,17-19H2,1-13H3,(H,37,48)(H,38,49)(H,39,47)(H,40,46)(H,41,45)/t23-,24-,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
| 1.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant BACE1 (unknown origin) |
Bioorg Med Chem Lett 25: 668-72 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.087
BindingDB Entry DOI: 10.7270/Q2N58P0J |
More data for this
Ligand-Target Pair | |
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