Found 6 hits for monomerid = 50329569 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50329569
((R)-2-amino-4-(3-(cyclopropylethynyl)-4-fluorophen...)Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(c1)C#CC1CC1 |r,c:3| Show InChI InChI=1S/C22H18F3N3O2/c1-28-19(29)22(27-21(28)26,15-6-9-17(10-7-15)30-20(24)25)16-8-11-18(23)14(12-16)5-4-13-2-3-13/h6-13,20H,2-3H2,1H3,(H2,26,27)/t22-/m1/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 | n/a | n/a | 70 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant BACE1 expressed in CHO cells assessed as reduction in amyloid beta level by sandwich ELISA |
Bioorg Med Chem Lett 20: 6597-605 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.029
BindingDB Entry DOI: 10.7270/Q2C829JF |
More data for this
Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50329569
((R)-2-amino-4-(3-(cyclopropylethynyl)-4-fluorophen...)Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(c1)C#CC1CC1 |r,c:3| Show InChI InChI=1S/C22H18F3N3O2/c1-28-19(29)22(27-21(28)26,15-6-9-17(10-7-15)30-20(24)25)16-8-11-18(23)14(12-16)5-4-13-2-3-13/h6-13,20H,2-3H2,1H3,(H2,26,27)/t22-/m1/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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human BACE1 by FRET assay |
Bioorg Med Chem Lett 20: 6597-605 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.029
BindingDB Entry DOI: 10.7270/Q2C829JF |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50329569
((R)-2-amino-4-(3-(cyclopropylethynyl)-4-fluorophen...)Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(c1)C#CC1CC1 |r,c:3| Show InChI InChI=1S/C22H18F3N3O2/c1-28-19(29)22(27-21(28)26,15-6-9-17(10-7-15)30-20(24)25)16-8-11-18(23)14(12-16)5-4-13-2-3-13/h6-13,20H,2-3H2,1H3,(H2,26,27)/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of renin by FRET assay |
Bioorg Med Chem Lett 20: 6597-605 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.029
BindingDB Entry DOI: 10.7270/Q2C829JF |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50329569
((R)-2-amino-4-(3-(cyclopropylethynyl)-4-fluorophen...)Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(c1)C#CC1CC1 |r,c:3| Show InChI InChI=1S/C22H18F3N3O2/c1-28-19(29)22(27-21(28)26,15-6-9-17(10-7-15)30-20(24)25)16-8-11-18(23)14(12-16)5-4-13-2-3-13/h6-13,20H,2-3H2,1H3,(H2,26,27)/t22-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of cathepsin D by FRET assay |
Bioorg Med Chem Lett 20: 6597-605 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.029
BindingDB Entry DOI: 10.7270/Q2C829JF |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50329569
((R)-2-amino-4-(3-(cyclopropylethynyl)-4-fluorophen...)Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(c1)C#CC1CC1 |r,c:3| Show InChI InChI=1S/C22H18F3N3O2/c1-28-19(29)22(27-21(28)26,15-6-9-17(10-7-15)30-20(24)25)16-8-11-18(23)14(12-16)5-4-13-2-3-13/h6-13,20H,2-3H2,1H3,(H2,26,27)/t22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 20: 6597-605 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.029
BindingDB Entry DOI: 10.7270/Q2C829JF |
More data for this
Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50329569
((R)-2-amino-4-(3-(cyclopropylethynyl)-4-fluorophen...)Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1ccc(F)c(c1)C#CC1CC1 |r,c:3| Show InChI InChI=1S/C22H18F3N3O2/c1-28-19(29)22(27-21(28)26,15-6-9-17(10-7-15)30-20(24)25)16-8-11-18(23)14(12-16)5-4-13-2-3-13/h6-13,20H,2-3H2,1H3,(H2,26,27)/t22-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of BACE2 by FRET assay |
Bioorg Med Chem Lett 20: 6597-605 (2010)
Article DOI: 10.1016/j.bmcl.2010.09.029
BindingDB Entry DOI: 10.7270/Q2C829JF |
More data for this
Ligand-Target Pair | |
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