Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50034076 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)) | BDBM50356525
(CHEMBL1909686)Show SMILES OC(CN(C(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C28H22Cl2N2O2/c29-24-15-14-19(16-25(24)30)28(34)31(20-8-2-1-3-9-20)17-21(33)18-32-26-12-6-4-10-22(26)23-11-5-7-13-27(23)32/h1-16,21,33H,17-18H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356521
(CHEMBL579169 | GNF-PF-1829)Show InChI InChI=1S/C25H22N2O/c28-19(16-26-23-13-7-9-18-8-1-2-10-20(18)23)17-27-24-14-5-3-11-21(24)22-12-4-6-15-25(22)27/h1-15,19,26,28H,16-17H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356524
(CHEMBL1909685)Show SMILES COc1ccc(cc1)C(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)c1ccccc1 Show InChI InChI=1S/C29H26N2O3/c1-34-24-17-15-21(16-18-24)29(33)30(22-9-3-2-4-10-22)19-23(32)20-31-27-13-7-5-11-25(27)26-12-6-8-14-28(26)31/h2-18,23,32H,19-20H2,1H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356523
(CHEMBL1909684)Show SMILES OC(CN(C(=O)c1ccc(Cl)cc1)c1ccccc1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C28H23ClN2O2/c29-21-16-14-20(15-17-21)28(33)30(22-8-2-1-3-9-22)18-23(32)19-31-26-12-6-4-10-24(26)25-11-5-7-13-27(25)31/h1-17,23,32H,18-19H2 | 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 |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356519
(CHEMBL1909699)Show SMILES OC(CN(CCc1ccccc1)C(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C30H28N2O2/c33-25(22-32-28-17-9-7-15-26(28)27-16-8-10-18-29(27)32)21-31(20-19-23-11-3-1-4-12-23)30(34)24-13-5-2-6-14-24/h1-18,25,33H,19-22H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356534
(CHEMBL1909695)Show SMILES OC(CN(Cc1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C29H24Cl2N2O2/c30-25-15-14-21(16-26(25)31)29(35)32(17-20-8-2-1-3-9-20)18-22(34)19-33-27-12-6-4-10-23(27)24-11-5-7-13-28(24)33/h1-16,22,34H,17-19H2 | 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356518
(CHEMBL1909698)Show SMILES COc1ccc(CN(CC(O)Cn2c3ccccc3c3ccccc23)C(=O)c2ccccc2)cc1 Show InChI InChI=1S/C30H28N2O3/c1-35-25-17-15-22(16-18-25)19-31(30(34)23-9-3-2-4-10-23)20-24(33)21-32-28-13-7-5-11-26(28)27-12-6-8-14-29(27)32/h2-18,24,33H,19-21H2,1H3 | 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356526
(CHEMBL1909687)Show SMILES OC(CN(C(=O)c1ccccc1)c1ccc(cc1)C(F)(F)F)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C29H23F3N2O2/c30-29(31,32)21-14-16-22(17-15-21)33(28(36)20-8-2-1-3-9-20)18-23(35)19-34-26-12-6-4-10-24(26)25-11-5-7-13-27(25)34/h1-17,23,35H,18-19H2 | 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356517
(CHEMBL1909697)Show SMILES Cc1ccc(CN(CC(O)Cn2c3ccccc3c3ccccc23)C(=O)c2ccccc2)cc1 Show InChI InChI=1S/C30H28N2O2/c1-22-15-17-23(18-16-22)19-31(30(34)24-9-3-2-4-10-24)20-25(33)21-32-28-13-7-5-11-26(28)27-12-6-8-14-29(27)32/h2-18,25,33H,19-21H2,1H3 | 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356520
(CHEMBL1909700)Show SMILES OC(CN(C1CCCCC1)C(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C28H30N2O2/c31-23(20-30-26-17-9-7-15-24(26)25-16-8-10-18-27(25)30)19-29(22-13-5-2-6-14-22)28(32)21-11-3-1-4-12-21/h1,3-4,7-12,15-18,22-23,31H,2,5-6,13-14,19-20H2 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356528
(CHEMBL1909689)Show SMILES OC(CN(C(=O)c1ccccc1)c1ccc(Cl)cc1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C28H23ClN2O2/c29-21-14-16-22(17-15-21)30(28(33)20-8-2-1-3-9-20)18-23(32)19-31-26-12-6-4-10-24(26)25-11-5-7-13-27(25)31/h1-17,23,32H,18-19H2 | 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356527
(CHEMBL1909688)Show SMILES OC(CN(C(=O)c1ccccc1)c1ccc(cc1)[N+]([O-])=O)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C28H23N3O4/c32-23(19-30-26-12-6-4-10-24(26)25-11-5-7-13-27(25)30)18-29(28(33)20-8-2-1-3-9-20)21-14-16-22(17-15-21)31(34)35/h1-17,23,32H,18-19H2 | 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356530
(CHEMBL1909691)Show SMILES Cc1ccc(cc1)N(CC(O)Cn1c2ccccc2c2ccccc12)C(=O)c1ccccc1 Show InChI InChI=1S/C29H26N2O2/c1-21-15-17-23(18-16-21)30(29(33)22-9-3-2-4-10-22)19-24(32)20-31-27-13-7-5-11-25(27)26-12-6-8-14-28(26)31/h2-18,24,32H,19-20H2,1H3 | 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356516
(CHEMBL1909696)Show SMILES OC(CN(Cc1ccc(Cl)cc1)C(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C29H25ClN2O2/c30-23-16-14-21(15-17-23)18-31(29(34)22-8-2-1-3-9-22)19-24(33)20-32-27-12-6-4-10-25(27)26-11-5-7-13-28(26)32/h1-17,24,33H,18-20H2 | 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356522
(CHEMBL1909683)Show SMILES OC(CN(C(=O)c1ccccc1)c1ccccc1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C28H24N2O2/c31-23(20-30-26-17-9-7-15-24(26)25-16-8-10-18-27(25)30)19-29(22-13-5-2-6-14-22)28(32)21-11-3-1-4-12-21/h1-18,23,31H,19-20H2 | 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356531
(CHEMBL1909692)Show SMILES OC(CN(Cc1ccccc1)C(=O)c1ccccc1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C29H26N2O2/c32-24(21-31-27-17-9-7-15-25(27)26-16-8-10-18-28(26)31)20-30(19-22-11-3-1-4-12-22)29(33)23-13-5-2-6-14-23/h1-18,24,32H,19-21H2 | 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356529
(CHEMBL1909690)Show SMILES OC(CN(C(=O)c1ccccc1)c1ccc(F)cc1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C28H23FN2O2/c29-21-14-16-22(17-15-21)30(28(33)20-8-2-1-3-9-20)18-23(32)19-31-26-12-6-4-10-24(26)25-11-5-7-13-27(25)31/h1-17,23,32H,18-19H2 | 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356533
(CHEMBL1909694)Show SMILES COc1ccc(cc1)C(=O)N(CC(O)Cn1c2ccccc2c2ccccc12)Cc1ccccc1 Show InChI InChI=1S/C30H28N2O3/c1-35-25-17-15-23(16-18-25)30(34)31(19-22-9-3-2-4-10-22)20-24(33)21-32-28-13-7-5-11-26(28)27-12-6-8-14-29(27)32/h2-18,24,33H,19-21H2,1H3 | 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50356532
(CHEMBL1909693)Show SMILES OC(CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1)Cn1c2ccccc2c2ccccc12 Show InChI InChI=1S/C29H25ClN2O2/c30-23-16-14-22(15-17-23)29(34)31(18-21-8-2-1-3-9-21)19-24(33)20-32-27-12-6-4-10-25(27)26-11-5-7-13-28(26)32/h1-17,24,33H,18-20H2 | 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+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description
Inhibition of BACE1 by fluorescence-based assay |
Bioorg Med Chem Lett 21: 6657-61 (2011)
Article DOI: 10.1016/j.bmcl.2011.09.064
BindingDB Entry DOI: 10.7270/Q2ST7Q7H |
More data for this
Ligand-Target Pair | |
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