Found 7 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 |
|---|
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM93325
(Carbamate {3,21}, 1)Show SMILES OCCN(CCO)C1CCN(CC1)NC(=O)OC1(CC1)[C@H]1CCCC(N1CS(=O)(=O)c1ccc(F)c(F)c1)c1cccc(F)c1 |r| Show InChI InChI=1S/C31H41F3N4O6S/c32-23-4-1-3-22(19-23)28-5-2-6-29(38(28)21-45(42,43)25-7-8-26(33)27(34)20-25)31(11-12-31)44-30(41)35-37-13-9-24(10-14-37)36(15-17-39)16-18-40/h1,3-4,7-8,19-20,24,28-29,39-40H,2,5-6,9-18,21H2,(H,35,41)/t28?,29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | 7.0 | 37 |
Schering-Plough Research Institute
| Assay Description
Inhibition assay using gamma-secretase. |
J Comb Chem 10: 56-62 (2008)
Article DOI: 10.1021/cc700100r
BindingDB Entry DOI: 10.7270/Q2ZS2V3P |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM93326
(Carbamate {3,19}, 2)Show SMILES Fc1cccc(c1)C1CCC[C@@H](N1CS(=O)(=O)c1ccc(F)c(F)c1)C1(CC1)OC(=O)NN1CCC(CC1)N1CCCC1 |r| Show InChI InChI=1S/C31H39F3N4O4S/c32-23-6-3-5-22(19-23)28-7-4-8-29(38(28)21-43(40,41)25-9-10-26(33)27(34)20-25)31(13-14-31)42-30(39)35-37-17-11-24(12-18-37)36-15-1-2-16-36/h3,5-6,9-10,19-20,24,28-29H,1-2,4,7-8,11-18,21H2,(H,35,39)/t28?,29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | 7.0 | 37 |
Schering-Plough Research Institute
| Assay Description
Inhibition assay using gamma-secretase. |
J Comb Chem 10: 56-62 (2008)
Article DOI: 10.1021/cc700100r
BindingDB Entry DOI: 10.7270/Q2ZS2V3P |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM93327
(Carbamate {5,21}, 3)Show SMILES Cc1ccc(cc1F)S(=O)(=O)CN1C(CCC[C@@H]1C1(CC1)OC(=O)NN1CCC(CC1)N(CCO)CCO)c1cccc(F)c1 |r| Show InChI InChI=1S/C32H44F2N4O6S/c1-23-8-9-27(21-28(23)34)45(42,43)22-38-29(24-4-2-5-25(33)20-24)6-3-7-30(38)32(12-13-32)44-31(41)35-37-14-10-26(11-15-37)36(16-18-39)17-19-40/h2,4-5,8-9,20-21,26,29-30,39-40H,3,6-7,10-19,22H2,1H3,(H,35,41)/t29?,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.20 | n/a | n/a | n/a | n/a | 7.0 | 37 |
Schering-Plough Research Institute
| Assay Description
Inhibition assay using gamma-secretase. |
J Comb Chem 10: 56-62 (2008)
Article DOI: 10.1021/cc700100r
BindingDB Entry DOI: 10.7270/Q2ZS2V3P |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM93328
(Carbamate {3,17}, 4)Show SMILES Fc1cccc(c1)C1CCC[C@@H](N1CS(=O)(=O)c1ccc(F)c(F)c1)C1(CC1)OC(=O)NN1CCN(CC1)C1CCCCC1 |r| Show InChI InChI=1S/C32H41F3N4O4S/c33-24-7-4-6-23(20-24)29-10-5-11-30(39(29)22-44(41,42)26-12-13-27(34)28(35)21-26)32(14-15-32)43-31(40)36-38-18-16-37(17-19-38)25-8-2-1-3-9-25/h4,6-7,12-13,20-21,25,29-30H,1-3,5,8-11,14-19,22H2,(H,36,40)/t29?,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.30 | n/a | n/a | n/a | n/a | 7.0 | 37 |
Schering-Plough Research Institute
| Assay Description
Inhibition assay using gamma-secretase. |
J Comb Chem 10: 56-62 (2008)
Article DOI: 10.1021/cc700100r
BindingDB Entry DOI: 10.7270/Q2ZS2V3P |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM93329
(Carbamate {5,19}, 5)Show SMILES Cc1ccc(cc1F)S(=O)(=O)CN1C(CCC[C@@H]1C1(CC1)OC(=O)NN1CCC(CC1)N1CCCC1)c1cccc(F)c1 |r| Show InChI InChI=1S/C32H42F2N4O4S/c1-23-10-11-27(21-28(23)34)43(40,41)22-38-29(24-6-4-7-25(33)20-24)8-5-9-30(38)32(14-15-32)42-31(39)35-37-18-12-26(13-19-37)36-16-2-3-17-36/h4,6-7,10-11,20-21,26,29-30H,2-3,5,8-9,12-19,22H2,1H3,(H,35,39)/t29?,30-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | 7.0 | 37 |
Schering-Plough Research Institute
| Assay Description
Inhibition assay using gamma-secretase. |
J Comb Chem 10: 56-62 (2008)
Article DOI: 10.1021/cc700100r
BindingDB Entry DOI: 10.7270/Q2ZS2V3P |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM93330
(Carbamate {1,21}, 6)Show SMILES OCCN(CCO)C1CCN(CC1)NC(=O)OC1(CC1)[C@H]1CCCC(N1CS(=O)(=O)c1cccc(F)c1)c1cccc(F)c1 |r| Show InChI InChI=1S/C31H42F2N4O6S/c32-24-5-1-4-23(20-24)28-8-3-9-29(37(28)22-44(41,42)27-7-2-6-25(33)21-27)31(12-13-31)43-30(40)34-36-14-10-26(11-15-36)35(16-18-38)17-19-39/h1-2,4-7,20-21,26,28-29,38-39H,3,8-19,22H2,(H,34,40)/t28?,29-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | 7.0 | 37 |
Schering-Plough Research Institute
| Assay Description
Inhibition assay using gamma-secretase. |
J Comb Chem 10: 56-62 (2008)
Article DOI: 10.1021/cc700100r
BindingDB Entry DOI: 10.7270/Q2ZS2V3P |
More data for this
Ligand-Target Pair | |
Amyloid-beta precursor protein
(Homo sapiens (Human)) | BDBM93331
(Carbamate {3,13}, 7)Show SMILES OCCN1CCN(CC1)NC(=O)OC1(CC1)[C@H]1CCCC(N1CS(=O)(=O)c1ccc(F)c(F)c1)c1cccc(F)c1 |r| Show InChI InChI=1S/C28H35F3N4O5S/c29-21-4-1-3-20(17-21)25-5-2-6-26(35(25)19-41(38,39)22-7-8-23(30)24(31)18-22)28(9-10-28)40-27(37)32-34-13-11-33(12-14-34)15-16-36/h1,3-4,7-8,17-18,25-26,36H,2,5-6,9-16,19H2,(H,32,37)/t25?,26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | 7.0 | 37 |
Schering-Plough Research Institute
| Assay Description
Inhibition assay using gamma-secretase. |
J Comb Chem 10: 56-62 (2008)
Article DOI: 10.1021/cc700100r
BindingDB Entry DOI: 10.7270/Q2ZS2V3P |
More data for this
Ligand-Target Pair | |
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