Found 13 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)) | BDBM50148338
(4-[((S)-2-{(3S,4S)-4-[(3S,4S)-4-((S)-2-Acetylamino...)Show SMILES CCC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](O)CC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O Show InChI InChI=1S/C41H61N5O9/c1-8-26(6)19-31(45-39(52)33(18-24(2)3)43-27(7)47)34(48)21-36(50)44-32(20-28-12-10-9-11-13-28)35(49)22-37(51)46-38(25(4)5)40(53)42-23-29-14-16-30(17-15-29)41(54)55/h9-17,24-26,31-35,38,48-49H,8,18-23H2,1-7H3,(H,42,53)(H,43,47)(H,44,50)(H,45,52)(H,46,51)(H,54,55)/t26?,31-,32-,33-,34-,35-,38-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Beta-secretase 1 |
Bioorg Med Chem Lett 14: 3457-60 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.068
BindingDB Entry DOI: 10.7270/Q2HX1C3V |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50148337
(4-[((S)-2-{(3S,4S)-4-[(3S,4S)-4-((S)-2-Acetylamino...)Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O Show InChI InChI=1S/C43H63N5O9/c1-26(2)20-35(45-28(5)49)41(54)47-34(22-30-14-10-7-11-15-30)37(51)23-38(52)46-33(21-29-12-8-6-9-13-29)36(50)24-39(53)48-40(27(3)4)42(55)44-25-31-16-18-32(19-17-31)43(56)57/h7,10-11,14-19,26-27,29,33-37,40,50-51H,6,8-9,12-13,20-25H2,1-5H3,(H,44,55)(H,45,49)(H,46,52)(H,47,54)(H,48,53)(H,56,57)/t33-,34-,35-,36-,37-,40-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Beta-secretase 1 |
Bioorg Med Chem Lett 14: 3457-60 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.068
BindingDB Entry DOI: 10.7270/Q2HX1C3V |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50148337
(4-[((S)-2-{(3S,4S)-4-[(3S,4S)-4-((S)-2-Acetylamino...)Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O Show InChI InChI=1S/C43H63N5O9/c1-26(2)20-35(45-28(5)49)41(54)47-34(22-30-14-10-7-11-15-30)37(51)23-38(52)46-33(21-29-12-8-6-9-13-29)36(50)24-39(53)48-40(27(3)4)42(55)44-25-31-16-18-32(19-17-31)43(56)57/h7,10-11,14-19,26-27,29,33-37,40,50-51H,6,8-9,12-13,20-25H2,1-5H3,(H,44,55)(H,45,49)(H,46,52)(H,47,54)(H,48,53)(H,56,57)/t33-,34-,35-,36-,37-,40-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Beta-secretase 1 |
Bioorg Med Chem Lett 14: 3457-60 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.068
BindingDB Entry DOI: 10.7270/Q2HX1C3V |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50127427
((S)-4-[(S)-2-((S)-2-{(S)-4-[2-((1S,2S)-2-Acetylami...)Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)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/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
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Beta-secretase 1 |
Bioorg Med Chem Lett 14: 3457-60 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.068
BindingDB Entry DOI: 10.7270/Q2HX1C3V |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50148346
(4-[((S)-2-{(S)-4-[(3S,4S)-4-((S)-2-Acetylamino-4-m...)Show SMILES CCC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](O)CC(=O)NC(CCSC)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O Show InChI InChI=1S/C37H61N5O9S/c1-9-23(6)17-28(41-35(48)29(16-21(2)3)39-24(7)43)31(45)19-32(46)40-27(14-15-52-8)30(44)18-33(47)42-34(22(4)5)36(49)38-20-25-10-12-26(13-11-25)37(50)51/h10-13,21-23,27-31,34,44-45H,9,14-20H2,1-8H3,(H,38,49)(H,39,43)(H,40,46)(H,41,48)(H,42,47)(H,50,51)/t23?,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
| Article
PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Beta-secretase 1 |
Bioorg Med Chem Lett 14: 3457-60 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.068
BindingDB Entry DOI: 10.7270/Q2HX1C3V |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50148344
(4-[((S)-2-{(3S,4S)-4-[(3S,4S)-4-((S)-2-Acetylamino...)Show SMILES CCC(C)C[C@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O Show InChI InChI=1S/C41H61N5O9/c1-8-26(6)19-31(34(48)22-37(51)46-38(25(4)5)40(53)42-23-29-14-16-30(17-15-29)41(54)55)44-36(50)21-35(49)32(20-28-12-10-9-11-13-28)45-39(52)33(18-24(2)3)43-27(7)47/h9-17,24-26,31-35,38,48-49H,8,18-23H2,1-7H3,(H,42,53)(H,43,47)(H,44,50)(H,45,52)(H,46,51)(H,54,55)/t26?,31-,32-,33-,34-,35-,38-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Beta-secretase 1 |
Bioorg Med Chem Lett 14: 3457-60 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.068
BindingDB Entry DOI: 10.7270/Q2HX1C3V |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50148340
(4-{[(S)-2-((2S,4S)-5-Cyclohexyl-3-hydroxy-4-{(3S,4...)Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)NCc1ccc(cc1)C(O)=O Show InChI InChI=1S/C40H57N5O8/c1-25(2)37(39(51)42-24-28-15-17-29(18-16-28)40(52)53)45-36(49)23-33(46)31(20-26-10-5-3-6-11-26)43-35(48)22-34(47)32(21-27-12-7-4-8-13-27)44-38(50)30-14-9-19-41-30/h4,7-8,12-13,15-18,25-26,30-34,37,41,46-47H,3,5-6,9-11,14,19-24H2,1-2H3,(H,42,51)(H,43,48)(H,44,50)(H,45,49)(H,52,53)/t30-,31-,32-,33-,34-,37-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Beta-secretase 1 |
Bioorg Med Chem Lett 14: 3457-60 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.068
BindingDB Entry DOI: 10.7270/Q2HX1C3V |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50148343
(4-[((S)-2-{(1S,5S)-4-[(2S,4S)-4-((S)-2-Acetylamino...)Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)NCc1ccc(cc1)C(O)=O Show InChI InChI=1S/C46H61N5O9/c1-29(2)43(45(58)47-28-34-19-21-35(22-20-34)46(59)60)51-42(56)27-39(53)36(23-31-13-7-4-8-14-31)49-41(55)26-40(54)37(24-32-15-9-5-10-16-32)50-44(57)38(48-30(3)52)25-33-17-11-6-12-18-33/h5-6,9-12,15-22,29,31,36-40,43,53-54H,4,7-8,13-14,23-28H2,1-3H3,(H,47,58)(H,48,52)(H,49,55)(H,50,57)(H,51,56)(H,59,60)/t36-,37-,38-,39-,40-,43-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Beta-secretase 1 |
Bioorg Med Chem Lett 14: 3457-60 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.068
BindingDB Entry DOI: 10.7270/Q2HX1C3V |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50148341
(4-[((S)-2-{(3S,4S)-4-[(3S,4S)-4-(2-Acetylamino-ace...)Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)CNC(C)=O)C(=O)NCc1ccc(cc1)C(O)=O Show InChI InChI=1S/C39H55N5O9/c1-24(2)37(38(51)41-22-28-14-16-29(17-15-28)39(52)53)44-35(49)21-33(47)30(18-26-10-6-4-7-11-26)42-34(48)20-32(46)31(19-27-12-8-5-9-13-27)43-36(50)23-40-25(3)45/h5,8-9,12-17,24,26,30-33,37,46-47H,4,6-7,10-11,18-23H2,1-3H3,(H,40,45)(H,41,51)(H,42,48)(H,43,50)(H,44,49)(H,52,53)/t30-,31-,32-,33-,37-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Beta-secretase 1 |
Bioorg Med Chem Lett 14: 3457-60 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.068
BindingDB Entry DOI: 10.7270/Q2HX1C3V |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50148347
(4-[((S)-2-{(S)-4-[(3S,4S)-4-((S)-2-Acetylamino-4-m...)Show SMILES CCC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](O)CC(=O)NC(CCS(C)=O)[C@@H](O)CC(=O)N[C@@H](C(C)C)C(=O)NCc1ccc(cc1)C(O)=O Show InChI InChI=1S/C37H61N5O10S/c1-9-23(6)17-28(41-35(48)29(16-21(2)3)39-24(7)43)31(45)19-32(46)40-27(14-15-53(8)52)30(44)18-33(47)42-34(22(4)5)36(49)38-20-25-10-12-26(13-11-25)37(50)51/h10-13,21-23,27-31,34,44-45H,9,14-20H2,1-8H3,(H,38,49)(H,39,43)(H,40,46)(H,41,48)(H,42,47)(H,50,51)/t23?,27?,28-,29-,30-,31-,34-,53?/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Beta-secretase 1 |
Bioorg Med Chem Lett 14: 3457-60 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.068
BindingDB Entry DOI: 10.7270/Q2HX1C3V |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50148345
(4-[((S)-2-{(1S,5S)-4-[(2S,4S)-4-((S)-2-Acetylamino...)Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(=O)NCc1ccc(cc1)C(O)=O Show InChI InChI=1S/C42H59N5O11/c1-25(2)39(41(56)43-24-29-14-16-30(17-15-29)42(57)58)47-37(52)23-34(49)32(20-27-10-6-4-7-11-27)45-36(51)22-35(50)33(21-28-12-8-5-9-13-28)46-40(55)31(44-26(3)48)18-19-38(53)54/h5,8-9,12-17,25,27,31-35,39,49-50H,4,6-7,10-11,18-24H2,1-3H3,(H,43,56)(H,44,48)(H,45,51)(H,46,55)(H,47,52)(H,53,54)(H,57,58)/t31-,32-,33-,34-,35-,39-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Beta-secretase 1 |
Bioorg Med Chem Lett 14: 3457-60 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.068
BindingDB Entry DOI: 10.7270/Q2HX1C3V |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50148339
(4-({(S)-2-[(2S,4S)-4-((3S,4S)-4-tert-Butoxycarbony...)Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccc(cc1)C(O)=O Show InChI InChI=1S/C40H58N4O9/c1-25(2)36(37(49)41-24-28-16-18-29(19-17-28)38(50)51)44-35(48)23-32(45)30(20-26-12-8-6-9-13-26)42-34(47)22-33(46)31(21-27-14-10-7-11-15-27)43-39(52)53-40(3,4)5/h7,10-11,14-19,25-26,30-33,36,45-46H,6,8-9,12-13,20-24H2,1-5H3,(H,41,49)(H,42,47)(H,43,52)(H,44,48)(H,50,51)/t30-,31-,32-,33-,36-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Beta-secretase 1 |
Bioorg Med Chem Lett 14: 3457-60 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.068
BindingDB Entry DOI: 10.7270/Q2HX1C3V |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50148342
(4-({(S)-2-[(2S,4S)-4-((3S,4S)-4-Amino-3-hydroxy-5-...)Show SMILES CC(C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(O)=O Show InChI InChI=1S/C35H50N4O7/c1-22(2)33(34(44)37-21-25-13-15-26(16-14-25)35(45)46)39-32(43)20-30(41)28(18-24-11-7-4-8-12-24)38-31(42)19-29(40)27(36)17-23-9-5-3-6-10-23/h3,5-6,9-10,13-16,22,24,27-30,33,40-41H,4,7-8,11-12,17-21,36H2,1-2H3,(H,37,44)(H,38,42)(H,39,43)(H,45,46)/t27-,28-,29-,30-,33-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of human Beta-secretase 1 |
Bioorg Med Chem Lett 14: 3457-60 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.068
BindingDB Entry DOI: 10.7270/Q2HX1C3V |
More data for this
Ligand-Target Pair | |
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