Found 8 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)) | BDBM50330567
(CHEMBL1275915 | N-[(S)-3-(4-Benzhydryl-piperazin-1...)Show SMILES O[C@H](CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C34H38ClN3O3S/c35-31-16-18-33(19-17-31)42(40,41)38(21-20-28-10-4-1-5-11-28)27-32(39)26-36-22-24-37(25-23-36)34(29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-19,32,34,39H,20-27H2/t32-/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 | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence assay |
Bioorg Med Chem 18: 7991-6 (2010)
Article DOI: 10.1016/j.bmc.2010.09.032
BindingDB Entry DOI: 10.7270/Q27944X5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50330566
(CHEMBL1275914 | N-[(R)-3-(4-Benzhydryl-piperazin-1...)Show SMILES O[C@@H](CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C34H38ClN3O3S/c35-31-16-18-33(19-17-31)42(40,41)38(21-20-28-10-4-1-5-11-28)27-32(39)26-36-22-24-37(25-23-36)34(29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-19,32,34,39H,20-27H2/t32-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence assay |
Bioorg Med Chem 18: 7991-6 (2010)
Article DOI: 10.1016/j.bmc.2010.09.032
BindingDB Entry DOI: 10.7270/Q27944X5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50330573
(CHEMBL1276932 | N-[(S)-3-(4-Benzhydryl-piperazin-1...)Show SMILES O[C@H](CN(CC1CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C30H35Cl2N3O3S/c31-28-14-13-27(19-29(28)32)39(37,38)35(20-23-11-12-23)22-26(36)21-33-15-17-34(18-16-33)30(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-10,13-14,19,23,26,30,36H,11-12,15-18,20-22H2/t26-/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 | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence assay |
Bioorg Med Chem 18: 7991-6 (2010)
Article DOI: 10.1016/j.bmc.2010.09.032
BindingDB Entry DOI: 10.7270/Q27944X5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50330570
(CHEMBL1278097 | N-[(R)-3-(4-Benzhydryl-piperazin-1...)Show SMILES O[C@@H](CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C34H39N3O3S/c38-32(28-37(22-21-29-13-5-1-6-14-29)41(39,40)33-19-11-4-12-20-33)27-35-23-25-36(26-24-35)34(30-15-7-2-8-16-30)31-17-9-3-10-18-31/h1-20,32,34,38H,21-28H2/t32-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence assay |
Bioorg Med Chem 18: 7991-6 (2010)
Article DOI: 10.1016/j.bmc.2010.09.032
BindingDB Entry DOI: 10.7270/Q27944X5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50330572
(CHEMBL1276846 | N-[(R)-3-(4-Benzhydryl-piperazin-1...)Show SMILES O[C@@H](CN(CC1CC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C30H35Cl2N3O3S/c31-28-14-13-27(19-29(28)32)39(37,38)35(20-23-11-12-23)22-26(36)21-33-15-17-34(18-16-33)30(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-10,13-14,19,23,26,30,36H,11-12,15-18,20-22H2/t26-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence assay |
Bioorg Med Chem 18: 7991-6 (2010)
Article DOI: 10.1016/j.bmc.2010.09.032
BindingDB Entry DOI: 10.7270/Q27944X5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50330569
(CHEMBL1278005 | N-[(S)-3-(4-Benzhydryl-piperazin-1...)Show SMILES O[C@H](CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C33H36ClN3O3S/c34-30-16-18-32(19-17-30)41(39,40)37(24-27-10-4-1-5-11-27)26-31(38)25-35-20-22-36(23-21-35)33(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-19,31,33,38H,20-26H2/t31-/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 | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence assay |
Bioorg Med Chem 18: 7991-6 (2010)
Article DOI: 10.1016/j.bmc.2010.09.032
BindingDB Entry DOI: 10.7270/Q27944X5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50330568
(CHEMBL1277921 | N-[(R)-3-(4-Benzhydryl-piperazin-1...)Show SMILES O[C@@H](CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C33H36ClN3O3S/c34-30-16-18-32(19-17-30)41(39,40)37(24-27-10-4-1-5-11-27)26-31(38)25-35-20-22-36(23-21-35)33(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-19,31,33,38H,20-26H2/t31-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence assay |
Bioorg Med Chem 18: 7991-6 (2010)
Article DOI: 10.1016/j.bmc.2010.09.032
BindingDB Entry DOI: 10.7270/Q27944X5 |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50330571
(CHEMBL1278188 | N-[(S)-3-(4-Benzhydryl-piperazin-1...)Show SMILES O[C@H](CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C34H39N3O3S/c38-32(28-37(22-21-29-13-5-1-6-14-29)41(39,40)33-19-11-4-12-20-33)27-35-23-25-36(26-24-35)34(30-15-7-2-8-16-30)31-17-9-3-10-18-31/h1-20,32,34,38H,21-28H2/t32-/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 | 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence assay |
Bioorg Med Chem 18: 7991-6 (2010)
Article DOI: 10.1016/j.bmc.2010.09.032
BindingDB Entry DOI: 10.7270/Q27944X5 |
More data for this
Ligand-Target Pair | |
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