Found 6 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)) | BDBM50182869
(CHEMBL439521 | N-((S)-2-amino-3-((S)-1-((S)-1-((2S...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)-c1nnn[nH]1)-c1nnn[nH]1 Show InChI InChI=1S/C34H44N18O6/c1-16(2)10-24(39-32(56)25(17(3)4)40-30(54)22(35)15-36-34(58)29-45-51-52-46-29)31(55)38-23(11-18-8-6-5-7-9-18)26(53)33(57)37-21-13-19(27-41-47-48-42-27)12-20(14-21)28-43-49-50-44-28/h5-9,12-14,16-17,22-26,53H,10-11,15,35H2,1-4H3,(H,36,58)(H,37,57)(H,38,55)(H,39,56)(H,40,54)(H,41,42,47,48)(H,43,44,49,50)(H,45,46,51,52)/t22-,23-,24-,25-,26+/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 | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 1649-53 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.058
BindingDB Entry DOI: 10.7270/Q2PV6M6V |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50157441
(5-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-3-(2H-tetr...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O Show InChI InChI=1S/C34H44N10O10/c1-16(2)10-24(39-30(48)25(17(3)4)40-28(46)22(35)15-36-32(50)27-41-43-44-42-27)29(47)38-23(11-18-8-6-5-7-9-18)26(45)31(49)37-21-13-19(33(51)52)12-20(14-21)34(53)54/h5-9,12-14,16-17,22-26,45H,10-11,15,35H2,1-4H3,(H,36,50)(H,37,49)(H,38,47)(H,39,48)(H,40,46)(H,51,52)(H,53,54)(H,41,42,43,44)/t22-,23-,24-,25-,26+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 1649-53 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.058
BindingDB Entry DOI: 10.7270/Q2PV6M6V |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50234178
(CHEMBL255838 | N-((S)-3-((S)-1-((S)-1-((2S,3R)-4-(...)Show SMILES CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C39H49FN12O8/c1-20(2)29(46-33(54)25(41)19-42-36(57)30-28(40)35(56)48-39(60)47-30)37(58)45-27(17-22-12-7-4-8-13-22)34(55)44-26(16-21-10-5-3-6-11-21)31(53)38(59)43-24-15-9-14-23(18-24)32-49-51-52-50-32/h3,5-6,9-11,14-15,18,20,22,25-27,29,31,53H,4,7-8,12-13,16-17,19,41H2,1-2H3,(H,42,57)(H,43,59)(H,44,55)(H,45,58)(H,46,54)(H2,47,48,56,60)(H,49,50,51,52)/t25-,26-,27-,29-,31+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 1649-53 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.058
BindingDB Entry DOI: 10.7270/Q2PV6M6V |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50157439
(3-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-3-(2H-tetr...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(c1)C(O)=O Show InChI InChI=1S/C33H44N10O8/c1-17(2)13-24(38-30(47)25(18(3)4)39-28(45)22(34)16-35-32(49)27-40-42-43-41-27)29(46)37-23(14-19-9-6-5-7-10-19)26(44)31(48)36-21-12-8-11-20(15-21)33(50)51/h5-12,15,17-18,22-26,44H,13-14,16,34H2,1-4H3,(H,35,49)(H,36,48)(H,37,46)(H,38,47)(H,39,45)(H,50,51)(H,40,41,42,43)/t22-,23-,24-,25-,26+/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 | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 |
Bioorg Med Chem Lett 18: 1649-53 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.058
BindingDB Entry DOI: 10.7270/Q2PV6M6V |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50372558
(CHEMBL257587)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C32H42Cl2N10O6/c1-16(2)10-24(39-30(48)25(17(3)4)40-28(46)22(35)15-36-32(50)27-41-43-44-42-27)29(47)38-23(11-18-8-6-5-7-9-18)26(45)31(49)37-21-13-19(33)12-20(34)14-21/h5-9,12-14,16-17,22-26,45H,10-11,15,35H2,1-4H3,(H,36,50)(H,37,49)(H,38,47)(H,39,48)(H,40,46)(H,41,42,43,44)/t22-,23-,24-,25-,26+/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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 |
Bioorg Med Chem Lett 18: 1649-53 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.058
BindingDB Entry DOI: 10.7270/Q2PV6M6V |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50372559
(CHEMBL270172)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)NS(=O)(=O)C(F)(F)F Show InChI InChI=1S/C27H39F3N10O8S/c1-13(2)10-18(34-24(44)19(14(3)4)35-22(42)16(31)12-32-26(46)21-36-39-40-37-21)23(43)33-17(11-15-8-6-5-7-9-15)20(41)25(45)38-49(47,48)27(28,29)30/h5-9,13-14,16-20,41H,10-12,31H2,1-4H3,(H,32,46)(H,33,43)(H,34,44)(H,35,42)(H,38,45)(H,36,37,39,40)/t16-,17-,18-,19-,20+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 |
Bioorg Med Chem Lett 18: 1649-53 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.058
BindingDB Entry DOI: 10.7270/Q2PV6M6V |
More data for this
Ligand-Target Pair | |
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