Found 6 hits for monomerid = 50329570 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)) | BDBM50329570
((R)-2-amino-4-(3-(cyclopropylethynyl)-4-fluorophen...)Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)c(C)c1)c1ccc(F)c(c1)C#CC1CC1 |r,c:3| Show InChI InChI=1S/C23H20F3N3O2/c1-13-11-16(8-10-19(13)31-21(25)26)23(20(30)29(2)22(27)28-23)17-7-9-18(24)15(12-17)6-5-14-3-4-14/h7-12,14,21H,3-4H2,1-2H3,(H2,27,28)/t23-/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 | 21 | 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 | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50329570
((R)-2-amino-4-(3-(cyclopropylethynyl)-4-fluorophen...)Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)c(C)c1)c1ccc(F)c(c1)C#CC1CC1 |r,c:3| Show InChI InChI=1S/C23H20F3N3O2/c1-13-11-16(8-10-19(13)31-21(25)26)23(20(30)29(2)22(27)28-23)17-7-9-18(24)15(12-17)6-5-14-3-4-14/h7-12,14,21H,3-4H2,1-2H3,(H2,27,28)/t23-/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 | n/a | n/a | 90 | 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 | |
Renin
(Homo sapiens (Human)) | BDBM50329570
((R)-2-amino-4-(3-(cyclopropylethynyl)-4-fluorophen...)Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)c(C)c1)c1ccc(F)c(c1)C#CC1CC1 |r,c:3| Show InChI InChI=1S/C23H20F3N3O2/c1-13-11-16(8-10-19(13)31-21(25)26)23(20(30)29(2)22(27)28-23)17-7-9-18(24)15(12-17)6-5-14-3-4-14/h7-12,14,21H,3-4H2,1-2H3,(H2,27,28)/t23-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.00E+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)) | BDBM50329570
((R)-2-amino-4-(3-(cyclopropylethynyl)-4-fluorophen...)Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)c(C)c1)c1ccc(F)c(c1)C#CC1CC1 |r,c:3| Show InChI InChI=1S/C23H20F3N3O2/c1-13-11-16(8-10-19(13)31-21(25)26)23(20(30)29(2)22(27)28-23)17-7-9-18(24)15(12-17)6-5-14-3-4-14/h7-12,14,21H,3-4H2,1-2H3,(H2,27,28)/t23-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.80E+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)) | BDBM50329570
((R)-2-amino-4-(3-(cyclopropylethynyl)-4-fluorophen...)Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)c(C)c1)c1ccc(F)c(c1)C#CC1CC1 |r,c:3| Show InChI InChI=1S/C23H20F3N3O2/c1-13-11-16(8-10-19(13)31-21(25)26)23(20(30)29(2)22(27)28-23)17-7-9-18(24)15(12-17)6-5-14-3-4-14/h7-12,14,21H,3-4H2,1-2H3,(H2,27,28)/t23-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.10E+3 | 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)) | BDBM50329570
((R)-2-amino-4-(3-(cyclopropylethynyl)-4-fluorophen...)Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)c(C)c1)c1ccc(F)c(c1)C#CC1CC1 |r,c:3| Show InChI InChI=1S/C23H20F3N3O2/c1-13-11-16(8-10-19(13)31-21(25)26)23(20(30)29(2)22(27)28-23)17-7-9-18(24)15(12-17)6-5-14-3-4-14/h7-12,14,21H,3-4H2,1-2H3,(H2,27,28)/t23-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 160 | 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 | |