Found 42 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 |
|---|
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108544
(4-(2-{5-[2-(2-Acetylamino-3-methyl-butyrylamino)-4...)Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)C[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C41H66N6O11S/c1-22(2)19-31(46-39(55)30(17-18-59-9)45-40(56)35(24(5)6)43-26(8)48)33(49)21-28(23(3)4)37(53)42-25(7)36(52)44-29(15-16-34(50)51)38(54)47-32(41(57)58)20-27-13-11-10-12-14-27/h10-14,22-25,28-33,35,49H,15-21H2,1-9H3,(H,42,53)(H,43,48)(H,44,52)(H,45,56)(H,46,55)(H,47,54)(H,50,51)(H,57,58)/t25-,28-,29-,30-,31-,32-,33?,35-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50100436
(CHEMBL412768 | NH2-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Val...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C73H118N16O27/c1-11-37(8)59(88-66(108)45(23-27-56(101)102)79-63(105)43(21-25-54(97)98)81-72(114)60(39(10)91)89-62(104)41(75)19-15-16-28-74)71(113)85-49(33-90)68(110)80-44(22-26-55(99)100)65(107)87-58(36(6)7)70(112)83-47(31-51(76)93)67(109)82-46(29-34(2)3)50(92)32-52(94)86-57(35(4)5)69(111)77-38(9)61(103)78-42(20-24-53(95)96)64(106)84-48(73(115)116)30-40-17-13-12-14-18-40/h12-14,17-18,34-39,41-50,57-60,90-92H,11,15-16,19-33,74-75H2,1-10H3,(H2,76,93)(H,77,111)(H,78,103)(H,79,105)(H,80,110)(H,81,114)(H,82,109)(H,83,112)(H,84,106)(H,85,113)(H,86,94)(H,87,107)(H,88,108)(H,89,104)(H,95,96)(H,97,98)(H,99,100)(H,101,102)(H,115,116)/t37-,38-,39+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,57-,58-,59-,60-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108528
(4-{2-[2-(4-{2-[2-(2-Amino-4-carboxy-butyrylamino)-...)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(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C44H69N9O15/c1-21(2)17-28(49-41(64)29(19-32(46)55)50-43(66)37(23(5)6)53-39(62)26(45)13-15-34(57)58)31(54)20-33(56)52-36(22(3)4)42(65)47-24(7)38(61)48-27(14-16-35(59)60)40(63)51-30(44(67)68)18-25-11-9-8-10-12-25/h8-12,21-24,26-31,36-37,54H,13-20,45H2,1-7H3,(H2,46,55)(H,47,65)(H,48,61)(H,49,64)(H,50,66)(H,51,63)(H,52,56)(H,53,62)(H,57,58)(H,59,60)(H,67,68)/t24-,26-,27-,28?,29-,30-,31?,36-,37-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108549
(4-[2-(2-{4-[2-(2-Acetylamino-3-methyl-butyrylamino...)Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C42H67N7O12S/c1-22(2)19-30(47-39(57)29(17-18-62-9)46-41(59)35(23(3)4)44-26(8)50)32(51)21-33(52)49-36(24(5)6)40(58)43-25(7)37(55)45-28(15-16-34(53)54)38(56)48-31(42(60)61)20-27-13-11-10-12-14-27/h10-14,22-25,28-32,35-36,51H,15-21H2,1-9H3,(H,43,58)(H,44,50)(H,45,55)(H,46,59)(H,47,57)(H,48,56)(H,49,52)(H,53,54)(H,60,61)/t25-,28-,29-,30?,31-,32?,35-,36-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108551
(CHEMBL2370121 | NH2-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Va...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[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 Show InChI InChI=1S/C71H114N16O27/c1-10-35(6)57(86-65(107)44(22-26-55(99)100)78-62(104)42(20-24-53(95)96)80-70(112)58(38(9)89)87-61(103)40(73)18-14-15-27-72)69(111)84-48(32-88)67(109)79-43(21-25-54(97)98)64(106)85-56(34(4)5)68(110)82-46(30-50(74)91)66(108)81-45(28-33(2)3)49(90)31-51(92)75-36(7)59(101)76-37(8)60(102)77-41(19-23-52(93)94)63(105)83-47(71(113)114)29-39-16-12-11-13-17-39/h11-13,16-17,33-38,40-49,56-58,88-90H,10,14-15,18-32,72-73H2,1-9H3,(H2,74,91)(H,75,92)(H,76,101)(H,77,102)(H,78,104)(H,79,109)(H,80,112)(H,81,108)(H,82,110)(H,83,105)(H,84,111)(H,85,106)(H,86,107)(H,87,103)(H,93,94)(H,95,96)(H,97,98)(H,99,100)(H,113,114)/t35-,36-,37-,38+,40-,41-,42-,43-,44-,45?,46-,47-,48-,49-,56-,57-,58-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108538
(4-[2-(2-{4-[2-(2-Acetylamino-3-methyl-butyrylamino...)Show SMILES CC(C)CC(NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(C)=O)C(C)C)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C41H64N8O13/c1-20(2)16-27(46-38(58)28(18-31(42)52)47-40(60)34(21(3)4)44-24(8)50)30(51)19-32(53)49-35(22(5)6)39(59)43-23(7)36(56)45-26(14-15-33(54)55)37(57)48-29(41(61)62)17-25-12-10-9-11-13-25/h9-13,20-23,26-30,34-35,51H,14-19H2,1-8H3,(H2,42,52)(H,43,59)(H,44,50)(H,45,56)(H,46,58)(H,47,60)(H,48,57)(H,49,53)(H,54,55)(H,61,62)/t23-,26-,27?,28-,29-,30?,34-,35-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108520
(4-[2-(2-{4-[2-(2-Acetylamino-3-methyl-butyrylamino...)Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C45H65N7O12S/c1-25(2)38(47-28(6)53)44(62)49-32(20-21-65-7)42(60)50-33(22-29-14-10-8-11-15-29)35(54)24-36(55)52-39(26(3)4)43(61)46-27(5)40(58)48-31(18-19-37(56)57)41(59)51-34(45(63)64)23-30-16-12-9-13-17-30/h8-17,25-27,31-35,38-39,54H,18-24H2,1-7H3,(H,46,61)(H,47,53)(H,48,58)(H,49,62)(H,50,60)(H,51,59)(H,52,55)(H,56,57)(H,63,64)/t27-,31-,32-,33-,34-,35?,38-,39-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108548
(2-[2-(2-{4-[2-(2-Acetylamino-3-methyl-butyrylamino...)Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C33H58N6O11S/c1-16(2)14-23(38-30(46)21(12-13-51-9)36-32(48)27(17(3)4)35-20(8)40)24(41)15-25(42)39-28(18(5)6)31(47)34-19(7)29(45)37-22(33(49)50)10-11-26(43)44/h16-19,21-24,27-28,41H,10-15H2,1-9H3,(H,34,47)(H,35,40)(H,36,48)(H,37,45)(H,38,46)(H,39,42)(H,43,44)(H,49,50)/t19-,21-,22-,23?,24?,27-,28-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108521
(4-[2-(2-{4-[2-(2-Acetylamino-3-methyl-butyrylamino...)Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(O)=O Show InChI InChI=1S/C37H65N7O12S/c1-18(2)16-25(43-33(52)24(14-15-57-11)42-34(53)29(19(3)4)40-22(7)45)26(46)17-27(47)44-30(37(8,9)10)35(54)38-20(5)31(50)41-23(12-13-28(48)49)32(51)39-21(6)36(55)56/h18-21,23-26,29-30,46H,12-17H2,1-11H3,(H,38,54)(H,39,51)(H,40,45)(H,41,50)(H,42,53)(H,43,52)(H,44,47)(H,48,49)(H,55,56)/t20-,21-,23-,24-,25?,26?,29-,30+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108539
(2-{2-[2-(2-{4-[2-(2-Acetylamino-3-methyl-butyrylam...)Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C40H65N7O10S/c1-21(2)18-29(45-37(53)28(16-17-58-10)44-39(55)33(22(3)4)43-26(9)48)31(49)20-32(50)47-34(23(5)6)38(54)42-24(7)35(51)41-25(8)36(52)46-30(40(56)57)19-27-14-12-11-13-15-27/h11-15,21-25,28-31,33-34,49H,16-20H2,1-10H3,(H,41,51)(H,42,54)(H,43,48)(H,44,55)(H,45,53)(H,46,52)(H,47,50)(H,56,57)/t24-,25-,28-,29?,30-,31?,33-,34-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108526
(4-{2-[2-(4-{2-[2-(2-Amino-4-carboxy-butyrylamino)-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(O)=O)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C42H65N9O15/c1-20(2)16-27(48-40(63)28(18-31(44)53)49-37(60)22(5)45-38(61)25(43)12-14-33(55)56)30(52)19-32(54)51-35(21(3)4)41(64)46-23(6)36(59)47-26(13-15-34(57)58)39(62)50-29(42(65)66)17-24-10-8-7-9-11-24/h7-11,20-23,25-30,35,52H,12-19,43H2,1-6H3,(H2,44,53)(H,45,61)(H,46,64)(H,47,59)(H,48,63)(H,49,60)(H,50,62)(H,51,54)(H,55,56)(H,57,58)(H,65,66)/t22-,23-,25-,26-,27?,28-,29-,30?,35-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108535
(CHEMBL441187 | NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C91H150N24O32/c1-14-44(9)70(114-82(138)59(39-62(94)120)108-84(140)67(95)47(12)117)87(143)103-50(24-19-20-34-92)76(132)115-72(48(13)118)89(145)104-52(27-31-64(123)124)74(130)101-54(29-33-66(127)128)78(134)113-71(45(10)15-2)88(144)110-60(40-116)83(139)102-53(28-32-65(125)126)77(133)111-69(43(7)8)86(142)109-58(38-61(93)119)80(136)106-56(36-41(3)4)81(137)112-68(42(5)6)85(141)99-46(11)73(129)100-51(26-30-63(121)122)75(131)107-57(37-49-22-17-16-18-23-49)79(135)105-55(90(146)147)25-21-35-98-91(96)97/h16-18,22-23,41-48,50-60,67-72,116-118H,14-15,19-21,24-40,92,95H2,1-13H3,(H2,93,119)(H2,94,120)(H,99,141)(H,100,129)(H,101,130)(H,102,139)(H,103,143)(H,104,145)(H,105,135)(H,106,136)(H,107,131)(H,108,140)(H,109,142)(H,110,144)(H,111,133)(H,112,137)(H,113,134)(H,114,138)(H,115,132)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,146,147)(H4,96,97,98)/t44-,45-,46-,47+,48+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,67-,68-,69-,70-,71-,72-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108557
(4-[2-(2-{4-[2-(2-Acetylamino-3-methyl-butyrylamino...)Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)NC(CC(C)C)C(O)CC(=O)N[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 Show InChI InChI=1S/C40H63N7O12S/c1-21(2)18-29(46-38(56)28(16-17-60-8)45-39(57)34(22(3)4)43-25(7)48)31(49)20-32(50)41-23(5)35(53)42-24(6)36(54)44-27(14-15-33(51)52)37(55)47-30(40(58)59)19-26-12-10-9-11-13-26/h9-13,21-24,27-31,34,49H,14-20H2,1-8H3,(H,41,50)(H,42,53)(H,43,48)(H,44,54)(H,45,57)(H,46,56)(H,47,55)(H,51,52)(H,58,59)/t23-,24-,27-,28-,29?,30-,31?,34-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108542
(4-[2-(2-{4-[2-(2-Acetylamino-3-methyl-butyrylamino...)Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC1CCCCC1)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C45H71N7O12S/c1-25(2)38(47-28(6)53)44(62)49-32(20-21-65-7)42(60)50-33(22-29-14-10-8-11-15-29)35(54)24-36(55)52-39(26(3)4)43(61)46-27(5)40(58)48-31(18-19-37(56)57)41(59)51-34(45(63)64)23-30-16-12-9-13-17-30/h9,12-13,16-17,25-27,29,31-35,38-39,54H,8,10-11,14-15,18-24H2,1-7H3,(H,46,61)(H,47,53)(H,48,58)(H,49,62)(H,50,60)(H,51,59)(H,52,55)(H,56,57)(H,63,64)/t27-,31-,32-,33-,34-,35?,38-,39-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108555
(4-[2-(2-{4-[2-(2-Amino-3-methyl-butyrylamino)-3-ca...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)C(C)C)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C39H62N8O12/c1-19(2)15-25(44-36(55)26(17-29(40)49)45-37(56)32(41)20(3)4)28(48)18-30(50)47-33(21(5)6)38(57)42-22(7)34(53)43-24(13-14-31(51)52)35(54)46-27(39(58)59)16-23-11-9-8-10-12-23/h8-12,19-22,24-28,32-33,48H,13-18,41H2,1-7H3,(H2,40,49)(H,42,57)(H,43,53)(H,44,55)(H,45,56)(H,46,54)(H,47,50)(H,51,52)(H,58,59)/t22-,24-,25?,26-,27-,28?,32-,33-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108550
(4-[2-(2-{4-[2-(2-Acetylamino-3-methyl-butyrylamino...)Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C46H67N7O12S/c1-26(2)22-34(52-43(61)33(20-21-66-7)51-45(63)40(27(3)4)48-29(6)54)37(55)25-38(56)49-35(23-30-14-10-8-11-15-30)44(62)47-28(5)41(59)50-32(18-19-39(57)58)42(60)53-36(46(64)65)24-31-16-12-9-13-17-31/h8-17,26-28,32-37,40,55H,18-25H2,1-7H3,(H,47,62)(H,48,54)(H,49,56)(H,50,59)(H,51,63)(H,52,61)(H,53,60)(H,57,58)(H,64,65)/t28-,32-,33-,34?,35-,36-,37?,40-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108522
(4-[2-(2-{4-[2-(2-Acetylamino-3-methyl-butyrylamino...)Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(O)=O)C(C)(C)C Show InChI InChI=1S/C36H63N7O12S/c1-17(2)15-25(42-33(51)24(13-14-56-10)41-35(53)29(18(3)4)39-22(9)44)26(45)16-27(46)43-30(19(5)6)34(52)37-20(7)31(49)40-23(11-12-28(47)48)32(50)38-21(8)36(54)55/h17-21,23-26,29-30,45H,11-16H2,1-10H3,(H,37,52)(H,38,50)(H,39,44)(H,40,49)(H,41,53)(H,42,51)(H,43,46)(H,47,48)(H,54,55)/t20-,21-,23-,24-,25?,26?,29-,30-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108537
(CHEMBL2370074 | NH2-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Va...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C72H114N16O29/c1-9-35(6)58(87-65(109)43(21-25-55(100)101)79-62(106)41(19-23-53(96)97)81-71(115)59(37(8)90)88-61(105)39(74)17-13-14-26-73)70(114)85-48(32-89)68(112)80-42(20-24-54(98)99)64(108)86-57(34(4)5)69(113)83-45(29-50(75)92)67(111)82-44(27-33(2)3)49(91)31-51(93)77-46(30-56(102)103)66(110)76-36(7)60(104)78-40(18-22-52(94)95)63(107)84-47(72(116)117)28-38-15-11-10-12-16-38/h10-12,15-16,33-37,39-49,57-59,89-91H,9,13-14,17-32,73-74H2,1-8H3,(H2,75,92)(H,76,110)(H,77,93)(H,78,104)(H,79,106)(H,80,112)(H,81,115)(H,82,111)(H,83,113)(H,84,107)(H,85,114)(H,86,108)(H,87,109)(H,88,105)(H,94,95)(H,96,97)(H,98,99)(H,100,101)(H,102,103)(H,116,117)/t35-,36-,37+,39-,40-,41-,42-,43-,44?,45-,46-,47-,48-,49-,57-,58-,59-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108531
(CHEMBL406089 | NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C92H153N25O32/c1-12-45(7)71(116-84(141)61(41-64(96)122)111-86(143)69(97)48(10)119)88(145)106-52(25-18-20-36-94)78(135)117-73(49(11)120)90(147)107-54(28-32-66(125)126)76(133)104-56(30-34-68(129)130)80(137)115-72(46(8)13-2)89(146)113-62(42-118)85(142)105-55(29-33-67(127)128)79(136)114-70(44(5)6)87(144)112-60(40-63(95)121)83(140)109-58(38-43(3)4)81(138)103-51(24-17-19-35-93)75(132)101-47(9)74(131)102-53(27-31-65(123)124)77(134)110-59(39-50-22-15-14-16-23-50)82(139)108-57(91(148)149)26-21-37-100-92(98)99/h14-16,22-23,43-49,51-62,69-73,118-120H,12-13,17-21,24-42,93-94,97H2,1-11H3,(H2,95,121)(H2,96,122)(H,101,132)(H,102,131)(H,103,138)(H,104,133)(H,105,142)(H,106,145)(H,107,147)(H,108,139)(H,109,140)(H,110,134)(H,111,143)(H,112,144)(H,113,146)(H,114,136)(H,115,137)(H,116,141)(H,117,135)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,148,149)(H4,98,99,100)/t45-,46-,47-,48+,49+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,69-,70-,71-,72-,73-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108547
(CHEMBL263333 | NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C95H150N24O32/c1-12-47(7)74(118-87(143)64(43-67(98)124)113-89(145)72(99)50(10)121)91(147)107-54(27-20-21-37-96)80(136)119-76(51(11)122)93(149)108-56(30-34-69(127)128)78(134)105-58(32-36-71(131)132)82(138)117-75(48(8)13-2)92(148)115-65(44-120)88(144)106-57(31-35-70(129)130)81(137)116-73(46(5)6)90(146)114-63(42-66(97)123)86(142)110-60(39-45(3)4)84(140)112-61(40-52-23-16-14-17-24-52)83(139)103-49(9)77(133)104-55(29-33-68(125)126)79(135)111-62(41-53-25-18-15-19-26-53)85(141)109-59(94(150)151)28-22-38-102-95(100)101/h14-19,23-26,45-51,54-65,72-76,120-122H,12-13,20-22,27-44,96,99H2,1-11H3,(H2,97,123)(H2,98,124)(H,103,139)(H,104,133)(H,105,134)(H,106,144)(H,107,147)(H,108,149)(H,109,141)(H,110,142)(H,111,135)(H,112,140)(H,113,145)(H,114,146)(H,115,148)(H,116,137)(H,117,138)(H,118,143)(H,119,136)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,150,151)(H4,100,101,102)/t47-,48-,49-,50+,51+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,72-,73-,74-,75-,76-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108524
(CHEMBL265158 | NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C92H152N24O32/c1-14-45(9)71(115-84(140)61(40-64(95)121)110-86(142)69(96)48(12)118)88(144)104-51(24-19-20-34-93)77(133)116-73(49(13)119)90(146)105-53(27-31-66(124)125)75(131)102-55(29-33-68(128)129)79(135)114-72(46(10)15-2)89(145)112-62(41-117)85(141)103-54(28-32-67(126)127)78(134)113-70(44(7)8)87(143)111-60(39-63(94)120)83(139)108-58(37-43(5)6)81(137)107-57(36-42(3)4)80(136)100-47(11)74(130)101-52(26-30-65(122)123)76(132)109-59(38-50-22-17-16-18-23-50)82(138)106-56(91(147)148)25-21-35-99-92(97)98/h16-18,22-23,42-49,51-62,69-73,117-119H,14-15,19-21,24-41,93,96H2,1-13H3,(H2,94,120)(H2,95,121)(H,100,136)(H,101,130)(H,102,131)(H,103,141)(H,104,144)(H,105,146)(H,106,138)(H,107,137)(H,108,139)(H,109,132)(H,110,142)(H,111,143)(H,112,145)(H,113,134)(H,114,135)(H,115,140)(H,116,133)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,147,148)(H4,97,98,99)/t45-,46-,47-,48+,49+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,69-,70-,71-,72-,73-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108558
(CHEMBL2370075 | NH2-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Va...)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#7])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6@@H](-[#8])-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C78H126N20O30/c1-9-38(6)62(97-69(119)46(23-27-59(110)111)88-66(116)44(21-25-57(106)107)90-76(126)63(40(8)100)98-65(115)42(80)18-13-14-28-79)75(125)95-52(35-99)73(123)89-45(22-26-58(108)109)68(118)96-61(37(4)5)74(124)94-50(32-54(81)102)72(122)92-48(30-36(2)3)53(101)34-55(103)86-51(33-60(112)113)70(120)85-39(7)64(114)87-43(20-24-56(104)105)67(117)93-49(31-41-16-11-10-12-17-41)71(121)91-47(77(127)128)19-15-29-84-78(82)83/h10-12,16-17,36-40,42-53,61-63,99-101H,9,13-15,18-35,79-80H2,1-8H3,(H2,81,102)(H,85,120)(H,86,103)(H,87,114)(H,88,116)(H,89,123)(H,90,126)(H,91,121)(H,92,122)(H,93,117)(H,94,124)(H,95,125)(H,96,118)(H,97,119)(H,98,115)(H,104,105)(H,106,107)(H,108,109)(H,110,111)(H,112,113)(H,127,128)(H4,82,83,84)/t38-,39-,40+,42-,43-,44-,45-,46-,47-,48?,49-,50-,51-,52-,53-,61-,62-,63-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108552
(2-{4-[2-(2-Acetylamino-3-methyl-butyrylamino)-4-me...)Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](C(C)C)C(O)=O Show InChI InChI=1S/C25H46N4O7S/c1-13(2)11-18(19(31)12-20(32)29-22(15(5)6)25(35)36)28-23(33)17(9-10-37-8)27-24(34)21(14(3)4)26-16(7)30/h13-15,17-19,21-22,31H,9-12H2,1-8H3,(H,26,30)(H,27,34)(H,28,33)(H,29,32)(H,35,36)/t17-,18?,19?,21-,22-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108545
(4-[2-(2-{4-[2-(2-Acetylamino-3-methyl-butyrylamino...)Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(O)=O Show InChI InChI=1S/C35H59N7O14S/c1-16(2)13-23(42-32(52)22(11-12-57-8)41-34(54)29(17(3)4)38-20(7)43)25(44)15-26(45)39-24(14-28(48)49)33(53)36-18(5)30(50)40-21(9-10-27(46)47)31(51)37-19(6)35(55)56/h16-19,21-25,29,44H,9-15H2,1-8H3,(H,36,53)(H,37,51)(H,38,43)(H,39,45)(H,40,50)(H,41,54)(H,42,52)(H,46,47)(H,48,49)(H,55,56)/t18-,19-,21-,22-,23?,24-,25?,29-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50370144
(CHEMBL1790741)Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C41H65N7O13S/c1-21(2)18-29(46-38(57)28(16-17-62-8)45-39(58)34(22(3)4)43-25(7)50)31(51)20-32(52)48-35(24(6)49)40(59)42-23(5)36(55)44-27(14-15-33(53)54)37(56)47-30(41(60)61)19-26-12-10-9-11-13-26/h9-13,21-24,27-31,34-35,49,51H,14-20H2,1-8H3,(H,42,59)(H,43,50)(H,44,55)(H,45,58)(H,46,57)(H,47,56)(H,48,52)(H,53,54)(H,60,61)/t23-,24-,27-,28-,29?,30-,31?,34-,35-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108554
(2-(2-{4-[2-(2-Acetylamino-3-methyl-butyrylamino)-4...)Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)NC(CC(C)C)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(O)=O Show InChI InChI=1S/C28H51N5O8S/c1-14(2)12-20(21(35)13-22(36)33-24(16(5)6)26(38)29-17(7)28(40)41)32-25(37)19(10-11-42-9)31-27(39)23(15(3)4)30-18(8)34/h14-17,19-21,23-24,35H,10-13H2,1-9H3,(H,29,38)(H,30,34)(H,31,39)(H,32,37)(H,33,36)(H,40,41)/t17-,19-,20?,21?,23-,24-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108532
(CHEMBL437918 | NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C88H144N24O32/c1-12-42(7)68(111-80(136)57(37-60(91)117)106-82(138)66(92)45(10)114)84(140)101-48(22-17-18-32-89)75(131)112-70(46(11)115)86(142)102-50(25-29-63(121)122)73(129)99-52(27-31-65(125)126)77(133)110-69(43(8)13-2)85(141)108-58(39-113)81(137)100-51(26-30-64(123)124)76(132)109-67(41(5)6)83(139)107-56(36-59(90)116)79(135)104-54(34-40(3)4)72(128)96-38-61(118)97-44(9)71(127)98-49(24-28-62(119)120)74(130)105-55(35-47-20-15-14-16-21-47)78(134)103-53(87(143)144)23-19-33-95-88(93)94/h14-16,20-21,40-46,48-58,66-70,113-115H,12-13,17-19,22-39,89,92H2,1-11H3,(H2,90,116)(H2,91,117)(H,96,128)(H,97,118)(H,98,127)(H,99,129)(H,100,137)(H,101,140)(H,102,142)(H,103,134)(H,104,135)(H,105,130)(H,106,138)(H,107,139)(H,108,141)(H,109,132)(H,110,133)(H,111,136)(H,112,131)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,143,144)(H4,93,94,95)/t42-,43-,44-,45+,46+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,66-,67-,68-,69-,70-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.19E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108553
(4-(2-{2-[4-(2-Amino-3-carbamoyl-propionylamino)-3-...)Show SMILES CC(C)CC(NC(=O)[C@@H](N)CC(N)=O)C(O)CC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C34H53N7O11/c1-17(2)13-23(39-31(48)21(35)15-26(36)43)25(42)16-27(44)41-29(18(3)4)33(50)37-19(5)30(47)38-22(11-12-28(45)46)32(49)40-24(34(51)52)14-20-9-7-6-8-10-20/h6-10,17-19,21-25,29,42H,11-16,35H2,1-5H3,(H2,36,43)(H,37,50)(H,38,47)(H,39,48)(H,40,49)(H,41,44)(H,45,46)(H,51,52)/t19-,21-,22-,23?,24-,25?,29-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108543
(CHEMBL405808 | NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C89H144N24O34S/c1-11-41(5)68(112-81(139)56(37-60(92)118)107-83(141)66(93)44(8)115)85(143)102-47(21-16-17-32-90)75(133)113-70(45(9)116)87(145)103-49(24-28-62(121)122)72(130)99-51(26-30-64(125)126)77(135)111-69(42(6)12-2)86(144)109-58(39-114)82(140)100-50(25-29-63(123)124)76(134)110-67(40(3)4)84(142)108-55(36-59(91)117)80(138)101-52(31-34-148-10)74(132)106-57(38-65(127)128)78(136)97-43(7)71(129)98-48(23-27-61(119)120)73(131)105-54(35-46-19-14-13-15-20-46)79(137)104-53(88(146)147)22-18-33-96-89(94)95/h13-15,19-20,40-45,47-58,66-70,114-116H,11-12,16-18,21-39,90,93H2,1-10H3,(H2,91,117)(H2,92,118)(H,97,136)(H,98,129)(H,99,130)(H,100,140)(H,101,138)(H,102,143)(H,103,145)(H,104,137)(H,105,131)(H,106,132)(H,107,141)(H,108,142)(H,109,144)(H,110,134)(H,111,135)(H,112,139)(H,113,133)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,146,147)(H4,94,95,96)/t41-,42-,43-,44+,45+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,66-,67-,68-,69-,70-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108536
(CHEMBL411367 | NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C90H147N27O34/c1-10-41(5)68(116-81(143)56(37-60(93)122)111-83(145)66(94)44(8)119)85(147)106-47(21-15-16-32-91)75(137)117-70(45(9)120)87(149)107-50(25-29-62(125)126)73(135)104-52(27-31-64(129)130)77(139)115-69(42(6)11-2)86(148)113-58(39-118)82(144)105-51(26-30-63(127)128)76(138)114-67(40(3)4)84(146)112-55(36-59(92)121)80(142)103-48(22-17-33-99-89(95)96)72(134)110-57(38-65(131)132)78(140)101-43(7)71(133)102-49(24-28-61(123)124)74(136)109-54(35-46-19-13-12-14-20-46)79(141)108-53(88(150)151)23-18-34-100-90(97)98/h12-14,19-20,40-45,47-58,66-70,118-120H,10-11,15-18,21-39,91,94H2,1-9H3,(H2,92,121)(H2,93,122)(H,101,140)(H,102,133)(H,103,142)(H,104,135)(H,105,144)(H,106,147)(H,107,149)(H,108,141)(H,109,136)(H,110,134)(H,111,145)(H,112,146)(H,113,148)(H,114,138)(H,115,139)(H,116,143)(H,117,137)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,150,151)(H4,95,96,99)(H4,97,98,100)/t41-,42-,43-,44+,45+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,66-,67-,68-,69-,70-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108533
(CHEMBL2370095 | NH2-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Va...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)[C@H](O)CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C72H114N16O29/c1-9-35(6)58(87-65(109)43(21-25-55(100)101)79-62(106)41(19-23-53(96)97)81-71(115)59(37(8)90)88-61(105)39(74)17-13-14-26-73)70(114)85-48(32-89)68(112)80-42(20-24-54(98)99)64(108)86-57(34(4)5)69(113)83-45(29-50(75)92)67(111)82-44(27-33(2)3)49(91)31-51(93)77-46(30-56(102)103)66(110)76-36(7)60(104)78-40(18-22-52(94)95)63(107)84-47(72(116)117)28-38-15-11-10-12-16-38/h10-12,15-16,33-37,39-49,57-59,89-91H,9,13-14,17-32,73-74H2,1-8H3,(H2,75,92)(H,76,110)(H,77,93)(H,78,104)(H,79,106)(H,80,112)(H,81,115)(H,82,111)(H,83,113)(H,84,107)(H,85,114)(H,86,108)(H,87,109)(H,88,105)(H,94,95)(H,96,97)(H,98,99)(H,100,101)(H,102,103)(H,116,117)/t35-,36-,37+,39-,40-,41-,42-,43-,44?,45-,46-,47-,48-,49+,57-,58-,59-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108518
(CHEMBL266203 | NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C93H144N24O34/c1-10-44(5)72(116-85(143)60(40-64(96)122)111-87(145)70(97)47(8)119)89(147)105-51(25-18-19-35-94)78(136)117-74(48(9)120)91(149)106-53(28-32-66(125)126)76(134)103-55(30-34-68(129)130)80(138)115-73(45(6)11-2)90(148)113-62(42-118)86(144)104-54(29-33-67(127)128)79(137)114-71(43(3)4)88(146)112-59(39-63(95)121)84(142)109-58(38-50-23-16-13-17-24-50)83(141)110-61(41-69(131)132)81(139)101-46(7)75(133)102-52(27-31-65(123)124)77(135)108-57(37-49-21-14-12-15-22-49)82(140)107-56(92(150)151)26-20-36-100-93(98)99/h12-17,21-24,43-48,51-62,70-74,118-120H,10-11,18-20,25-42,94,97H2,1-9H3,(H2,95,121)(H2,96,122)(H,101,139)(H,102,133)(H,103,134)(H,104,144)(H,105,147)(H,106,149)(H,107,140)(H,108,135)(H,109,142)(H,110,141)(H,111,145)(H,112,146)(H,113,148)(H,114,137)(H,115,138)(H,116,143)(H,117,136)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,150,151)(H4,98,99,100)/t44-,45-,46-,47+,48+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,70-,71-,72-,73-,74-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108530
(CHEMBL413728 | NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C87H140N24O34/c1-11-39(5)66(110-79(137)54(35-58(90)116)105-81(139)64(91)43(9)113)83(141)100-46(21-16-17-31-88)73(131)111-68(44(10)114)85(143)101-48(24-28-60(119)120)71(129)98-50(26-30-62(123)124)75(133)109-67(40(6)12-2)84(142)107-56(37-112)80(138)99-49(25-29-61(121)122)74(132)108-65(38(3)4)82(140)106-53(34-57(89)115)76(134)95-42(8)70(128)103-55(36-63(125)126)77(135)96-41(7)69(127)97-47(23-27-59(117)118)72(130)104-52(33-45-19-14-13-15-20-45)78(136)102-51(86(144)145)22-18-32-94-87(92)93/h13-15,19-20,38-44,46-56,64-68,112-114H,11-12,16-18,21-37,88,91H2,1-10H3,(H2,89,115)(H2,90,116)(H,95,134)(H,96,135)(H,97,127)(H,98,129)(H,99,138)(H,100,141)(H,101,143)(H,102,136)(H,103,128)(H,104,130)(H,105,139)(H,106,140)(H,107,142)(H,108,132)(H,109,133)(H,110,137)(H,111,131)(H,117,118)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,144,145)(H4,92,93,94)/t39-,40-,41-,42-,43+,44+,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,64-,65-,66-,67-,68-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108540
(CHEMBL440612 | NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C86H138N24O34/c1-10-39(5)66(109-78(136)53(34-57(89)115)104-80(138)64(90)42(8)112)82(140)100-45(20-15-16-30-87)73(131)110-68(43(9)113)84(142)101-47(23-27-60(119)120)71(129)98-49(25-29-62(123)124)75(133)108-67(40(6)11-2)83(141)106-55(37-111)79(137)99-48(24-28-61(121)122)74(132)107-65(38(3)4)81(139)105-52(33-56(88)114)70(128)94-36-58(116)96-54(35-63(125)126)76(134)95-41(7)69(127)97-46(22-26-59(117)118)72(130)103-51(32-44-18-13-12-14-19-44)77(135)102-50(85(143)144)21-17-31-93-86(91)92/h12-14,18-19,38-43,45-55,64-68,111-113H,10-11,15-17,20-37,87,90H2,1-9H3,(H2,88,114)(H2,89,115)(H,94,128)(H,95,134)(H,96,116)(H,97,127)(H,98,129)(H,99,137)(H,100,140)(H,101,142)(H,102,135)(H,103,130)(H,104,138)(H,105,139)(H,106,141)(H,107,132)(H,108,133)(H,109,136)(H,110,131)(H,117,118)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,143,144)(H4,91,92,93)/t39-,40-,41-,42+,43+,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,64-,65-,66-,67-,68-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108529
(CHEMBL437425 | NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C90H146N24O34/c1-12-42(7)69(113-82(140)57(37-61(93)119)108-84(142)67(94)45(10)116)86(144)102-48(22-17-18-32-91)75(133)114-71(46(11)117)88(146)103-50(25-29-63(122)123)73(131)100-52(27-31-65(126)127)77(135)112-70(43(8)13-2)87(145)110-59(39-115)83(141)101-51(26-30-64(124)125)76(134)111-68(41(5)6)85(143)109-56(36-60(92)118)81(139)105-54(34-40(3)4)79(137)107-58(38-66(128)129)78(136)98-44(9)72(130)99-49(24-28-62(120)121)74(132)106-55(35-47-20-15-14-16-21-47)80(138)104-53(89(147)148)23-19-33-97-90(95)96/h14-16,20-21,40-46,48-59,67-71,115-117H,12-13,17-19,22-39,91,94H2,1-11H3,(H2,92,118)(H2,93,119)(H,98,136)(H,99,130)(H,100,131)(H,101,141)(H,102,144)(H,103,146)(H,104,138)(H,105,139)(H,106,132)(H,107,137)(H,108,142)(H,109,143)(H,110,145)(H,111,134)(H,112,135)(H,113,140)(H,114,133)(H,120,121)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,147,148)(H4,95,96,97)/t42-,43-,44-,45+,46+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,67-,68-,69-,70-,71-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108519
(CHEMBL2370123 | NH2-Lys-Thr-Glu-Glu-Ile-Ser-Glu-Va...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)OC(C)=O Show InChI InChI=1S/C74H116N16O30/c1-10-36(6)60(89-67(111)45(22-26-57(102)103)81-64(108)43(20-24-55(98)99)83-73(117)61(38(8)92)90-63(107)41(76)18-14-15-27-75)72(116)87-50(33-91)70(114)82-44(21-25-56(100)101)66(110)88-59(35(4)5)71(115)85-47(30-52(77)94)69(113)84-46(28-34(2)3)51(120-39(9)93)32-53(95)79-48(31-58(104)105)68(112)78-37(7)62(106)80-42(19-23-54(96)97)65(109)86-49(74(118)119)29-40-16-12-11-13-17-40/h11-13,16-17,34-38,41-51,59-61,91-92H,10,14-15,18-33,75-76H2,1-9H3,(H2,77,94)(H,78,112)(H,79,95)(H,80,106)(H,81,108)(H,82,114)(H,83,117)(H,84,113)(H,85,115)(H,86,109)(H,87,116)(H,88,110)(H,89,111)(H,90,107)(H,96,97)(H,98,99)(H,100,101)(H,102,103)(H,104,105)(H,118,119)/t36-,37-,38+,41-,42-,43-,44-,45-,46?,47-,48-,49-,50-,51-,59-,60-,61-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108559
(CHEMBL405443 | NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C89H144N24O34/c1-12-41(7)68(112-80(138)54(35-58(91)117)105-82(140)65(93)44(10)115)85(143)101-47(22-17-18-32-90)74(132)113-70(45(11)116)87(145)102-49(25-29-61(121)122)72(130)99-51(27-31-63(125)126)76(134)111-69(42(8)13-2)86(144)108-57(38-114)81(139)100-50(26-30-62(123)124)75(133)109-66(39(3)4)83(141)106-55(36-59(92)118)79(137)110-67(40(5)6)84(142)107-56(37-64(127)128)77(135)97-43(9)71(129)98-48(24-28-60(119)120)73(131)104-53(34-46-20-15-14-16-21-46)78(136)103-52(88(146)147)23-19-33-96-89(94)95/h14-16,20-21,39-45,47-57,65-70,114-116H,12-13,17-19,22-38,90,93H2,1-11H3,(H2,91,117)(H2,92,118)(H,97,135)(H,98,129)(H,99,130)(H,100,139)(H,101,143)(H,102,145)(H,103,136)(H,104,131)(H,105,140)(H,106,141)(H,107,142)(H,108,144)(H,109,133)(H,110,137)(H,111,134)(H,112,138)(H,113,132)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,146,147)(H4,94,95,96)/t41-,42-,43-,44+,45+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,65-,66-,67-,68-,69-,70-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108546
(4-{2-[(1-{4-[2-(2-Acetylamino-3-methyl-butyrylamin...)Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)NC(CC(C)C)C(O)CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C42H65N7O12S/c1-23(2)20-30(47-39(57)29(17-19-62-7)46-41(59)36(24(3)4)44-26(6)50)33(51)22-34(52)49-18-11-14-32(49)40(58)43-25(5)37(55)45-28(15-16-35(53)54)38(56)48-31(42(60)61)21-27-12-9-8-10-13-27/h8-10,12-13,23-25,28-33,36,51H,11,14-22H2,1-7H3,(H,43,58)(H,44,50)(H,45,55)(H,46,59)(H,47,57)(H,48,56)(H,53,54)(H,60,61)/t25-,28-,29-,30?,31-,32+,33?,36-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108534
(CHEMBL427580 | NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[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)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C89H146N24O32/c1-13-42(7)68(112-81(137)58(38-61(92)118)107-83(139)66(93)46(11)115)85(141)102-49(23-18-19-33-90)75(131)113-70(47(12)116)87(143)103-51(26-30-63(121)122)73(129)100-53(28-32-65(125)126)77(133)111-69(43(8)14-2)86(142)109-59(39-114)82(138)101-52(27-31-64(123)124)76(132)110-67(41(5)6)84(140)108-57(37-60(91)117)80(136)105-55(35-40(3)4)78(134)98-44(9)71(127)97-45(10)72(128)99-50(25-29-62(119)120)74(130)106-56(36-48-21-16-15-17-22-48)79(135)104-54(88(144)145)24-20-34-96-89(94)95/h15-17,21-22,40-47,49-59,66-70,114-116H,13-14,18-20,23-39,90,93H2,1-12H3,(H2,91,117)(H2,92,118)(H,97,127)(H,98,134)(H,99,128)(H,100,129)(H,101,138)(H,102,141)(H,103,143)(H,104,135)(H,105,136)(H,106,130)(H,107,139)(H,108,140)(H,109,142)(H,110,132)(H,111,133)(H,112,137)(H,113,131)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,144,145)(H4,94,95,96)/t42-,43-,44-,45-,46+,47+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,66-,67-,68-,69-,70-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108527
(CHEMBL426153 | NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C90H142N26O34/c1-10-41(5)69(115-82(142)57(35-61(93)121)110-84(144)67(94)44(8)118)86(146)104-48(20-15-16-30-91)75(135)116-71(45(9)119)88(148)105-50(23-27-63(124)125)73(133)102-52(25-29-65(128)129)77(137)114-70(42(6)11-2)87(147)112-59(38-117)83(143)103-51(24-28-64(126)127)76(136)113-68(40(3)4)85(145)111-56(34-60(92)120)81(141)108-55(33-47-37-97-39-99-47)80(140)109-58(36-66(130)131)78(138)100-43(7)72(132)101-49(22-26-62(122)123)74(134)107-54(32-46-18-13-12-14-19-46)79(139)106-53(89(149)150)21-17-31-98-90(95)96/h12-14,18-19,37,39-45,48-59,67-71,117-119H,10-11,15-17,20-36,38,91,94H2,1-9H3,(H2,92,120)(H2,93,121)(H,97,99)(H,100,138)(H,101,132)(H,102,133)(H,103,143)(H,104,146)(H,105,148)(H,106,139)(H,107,134)(H,108,141)(H,109,140)(H,110,144)(H,111,145)(H,112,147)(H,113,136)(H,114,137)(H,115,142)(H,116,135)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,130,131)(H,149,150)(H4,95,96,98)/t41-,42-,43-,44+,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,67-,68-,69-,70-,71-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108556
(CHEMBL410405 | NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Ile...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O Show InChI InChI=1S/C89H142N24O36/c1-10-40(5)68(112-81(141)55(36-59(92)118)107-83(143)66(93)43(8)115)85(145)102-46(20-15-16-32-90)75(135)113-70(44(9)116)87(147)103-49(24-29-62(123)124)72(132)99-51(26-31-64(127)128)77(137)111-69(41(6)11-2)86(146)109-57(38-114)82(142)101-50(25-30-63(125)126)76(136)110-67(39(3)4)84(144)108-54(35-58(91)117)80(140)100-48(23-28-61(121)122)74(134)106-56(37-65(129)130)78(138)97-42(7)71(131)98-47(22-27-60(119)120)73(133)105-53(34-45-18-13-12-14-19-45)79(139)104-52(88(148)149)21-17-33-96-89(94)95/h12-14,18-19,39-44,46-57,66-70,114-116H,10-11,15-17,20-38,90,93H2,1-9H3,(H2,91,117)(H2,92,118)(H,97,138)(H,98,131)(H,99,132)(H,100,140)(H,101,142)(H,102,145)(H,103,147)(H,104,139)(H,105,133)(H,106,134)(H,107,143)(H,108,144)(H,109,146)(H,110,136)(H,111,137)(H,112,141)(H,113,135)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,148,149)(H4,94,95,96)/t40-,41-,42-,43+,44+,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,66-,67-,68-,69-,70-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50108525
(CHEMBL2370091 | NH2-Thr-Asn-Ile-Lys-Thr-Glu-Glu-Il...)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#6]-[#6])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O Show InChI InChI=1S/C88H142N24O35/c1-11-39(5)66(110-78(137)53(34-57(90)117)104-81(140)64(92)42(8)114)83(142)100-46(21-16-17-31-89)73(132)111-68(43(9)115)85(144)101-48(24-28-60(121)122)71(130)98-50(26-30-62(125)126)75(134)109-67(40(6)12-2)84(143)107-56(37-113)80(139)99-49(25-29-61(123)124)74(133)108-65(38(3)4)82(141)105-54(35-58(91)118)79(138)112-69(44(10)116)86(145)106-55(36-63(127)128)76(135)96-41(7)70(129)97-47(23-27-59(119)120)72(131)103-52(33-45-19-14-13-15-20-45)77(136)102-51(87(146)147)22-18-32-95-88(93)94/h13-15,19-20,38-44,46-56,64-69,113-116H,11-12,16-18,21-37,89,92H2,1-10H3,(H2,90,117)(H2,91,118)(H,96,135)(H,97,129)(H,98,130)(H,99,139)(H,100,142)(H,101,144)(H,102,136)(H,103,131)(H,104,140)(H,105,141)(H,106,145)(H,107,143)(H,108,133)(H,109,134)(H,110,137)(H,111,132)(H,112,138)(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,146,147)(H4,93,94,95)/t39-,40-,41-,42+,43+,44?,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,64-,65-,66-,67-,68-,69-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human brain beta-secretase, using MBPC125Swe (maltose-binding-protein C-125 Swedish) assay |
J Med Chem 45: 259-62 (2002)
BindingDB Entry DOI: 10.7270/Q23F4QC5 |
More data for this
Ligand-Target Pair | |
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