BindingDB logo
myBDB logout

23 similar compounds to monomer 50329576

Compile data set for download or QSAR
Wt: 355.3
BDBM50329542
Wt: 369.3
BDBM50329543
Wt: 383.3
BDBM50329544
Wt: 397.4
BDBM50329545
Wt: 387.3
BDBM50329546
Wt: 401.3
BDBM50329547
Wt: 429.4
BDBM50329548
Wt: 397.4
BDBM50329549
Wt: 395.4
BDBM50329550
Wt: 437.4
BDBM50329551
Wt: 399.3
BDBM50329552
Wt: 413.4
BDBM50329553
Wt: 399.3
BDBM50329554
Wt: 399.3
BDBM50329555
Wt: 427.4
BDBM50329556
Displayed 1 to 15 (of 23 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 53 hits for monomerid = 50329542,50329543,50329544,50329545,50329546,50329547,50329548,50329549,50329550,50329551,50329552,50329553,50329554,50329555,50329556   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))
BDBM50329547
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-...)
Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCF
Show InChI InChI=1S/C21H18F3N3O2/c1-27-18(28)21(26-20(27)25,15-8-10-17(11-9-15)29-19(23)24)16-7-4-6-14(13-16)5-2-3-12-22/h4,6-11,13,19H,3,12H2,1H3,(H2,25,26)/t21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/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))
BDBM50329553
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-...)
Show SMILES COCCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C22H21F2N3O3/c1-27-19(28)22(26-21(27)25,16-9-11-18(12-10-16)30-20(23)24)17-8-5-7-15(14-17)6-3-4-13-29-2/h5,7-12,14,20H,4,13H2,1-2H3,(H2,25,26)/t22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.10E+3n/an/an/an/an/an/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
Beta-secretase 1


(Homo sapiens (Human))
BDBM50329555
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-((R...)
Show SMILES C[C@@H](O)C#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C21H19F2N3O3/c1-13(27)6-7-14-4-3-5-16(12-14)21(18(28)26(2)20(24)25-21)15-8-10-17(11-9-15)29-19(22)23/h3-5,8-13,19,27H,1-2H3,(H2,24,25)/t13-,21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/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))
BDBM50329556
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(6-...)
Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCCCO
Show InChI InChI=1S/C23H23F2N3O3/c1-28-20(30)23(27-22(28)26,17-10-12-19(13-11-17)31-21(24)25)18-9-6-8-16(15-18)7-4-2-3-5-14-29/h6,8-13,15,21,29H,2-3,5,14H2,1H3,(H2,26,27)/t23-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/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))
BDBM50329543
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl...)
Show SMILES CC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C20H17F2N3O2/c1-3-5-13-6-4-7-15(12-13)20(17(26)25(2)19(23)24-20)14-8-10-16(11-9-14)27-18(21)22/h4,6-12,18H,1-2H3,(H2,23,24)/t20-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 70n/an/an/an/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))
BDBM50329544
PNG
((R)-2-amino-4-(3-(but-1-ynyl)phenyl)-4-(4-(difluor...)
Show SMILES CCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C21H19F2N3O2/c1-3-4-6-14-7-5-8-16(13-14)21(18(27)26(2)20(24)25-21)15-9-11-17(12-10-15)28-19(22)23/h5,7-13,19H,3H2,1-2H3,(H2,24,25)/t21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 80n/an/an/an/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))
BDBM50329553
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-...)
Show SMILES COCCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C22H21F2N3O3/c1-27-19(28)22(26-21(27)25,16-9-11-18(12-10-16)30-20(23)24)17-8-5-7-15(14-17)6-3-4-13-29-2/h5,7-12,14,20H,4,13H2,1-2H3,(H2,25,26)/t22-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/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))
BDBM50329554
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-...)
Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCO
Show InChI InChI=1S/C21H19F2N3O3/c1-26-18(28)21(25-20(26)24,15-8-10-17(11-9-15)29-19(22)23)16-7-4-6-14(13-16)5-2-3-12-27/h4,6-11,13,19,27H,3,12H2,1H3,(H2,24,25)/t21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/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))
BDBM50329542
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-eth...)
Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#C
Show InChI InChI=1S/C19H15F2N3O2/c1-3-12-5-4-6-14(11-12)19(16(25)24(2)18(22)23-19)13-7-9-15(10-8-13)26-17(20)21/h1,4-11,17H,2H3,(H2,22,23)/t19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.14E+3n/an/an/an/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))
BDBM50329551
PNG
((R)-2-amino-4-(3-(cyclohexylethynyl)phenyl)-4-(4-(...)
Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CC1CCCCC1
Show InChI InChI=1S/C25H25F2N3O2/c1-30-22(31)25(29-24(30)28,19-12-14-21(15-13-19)32-23(26)27)20-9-5-8-18(16-20)11-10-17-6-3-2-4-7-17/h5,8-9,12-17,23H,2-4,6-7H2,1H3,(H2,28,29)/t25-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.32E+3n/an/an/an/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))
BDBM50329552
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(3-...)
Show SMILES COCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C21H19F2N3O3/c1-26-18(27)21(25-20(26)24,15-8-10-17(11-9-15)29-19(22)23)16-7-3-5-14(13-16)6-4-12-28-2/h3,5,7-11,13,19H,12H2,1-2H3,(H2,24,25)/t21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 10n/an/an/an/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))
BDBM50329556
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(6-...)
Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCCCO
Show InChI InChI=1S/C23H23F2N3O3/c1-28-20(30)23(27-22(28)26,17-10-12-19(13-11-17)31-21(24)25)18-9-6-8-16(15-18)7-4-2-3-5-14-29/h6,8-13,15,21,29H,2-3,5,14H2,1H3,(H2,26,27)/t23-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 20n/an/an/an/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))
BDBM50329555
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-((R...)
Show SMILES C[C@@H](O)C#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C21H19F2N3O3/c1-13(27)6-7-14-4-3-5-16(12-14)21(18(28)26(2)20(24)25-21)15-8-10-17(11-9-15)29-19(22)23/h3-5,8-13,19,27H,1-2H3,(H2,24,25)/t13-,21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 70n/an/an/an/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))
BDBM50329545
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl...)
Show SMILES CCCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C22H21F2N3O2/c1-3-4-5-7-15-8-6-9-17(14-15)22(19(28)27(2)21(25)26-22)16-10-12-18(13-11-16)29-20(23)24/h6,8-14,20H,3-4H2,1-2H3,(H2,25,26)/t22-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/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))
BDBM50329546
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(3-...)
Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCF
Show InChI InChI=1S/C20H16F3N3O2/c1-26-17(27)20(25-19(26)24,14-7-9-16(10-8-14)28-18(22)23)15-6-2-4-13(12-15)5-3-11-21/h2,4,6-10,12,18H,11H2,1H3,(H2,24,25)/t20-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/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
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50329543
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl...)
Show SMILES CC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C20H17F2N3O2/c1-3-5-13-6-4-7-15(12-13)20(17(26)25(2)19(23)24-20)14-8-10-16(11-9-14)27-18(21)22/h4,6-12,18H,1-2H3,(H2,23,24)/t20-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<100n/an/an/an/an/an/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 1


(Homo sapiens (Human))
BDBM50329551
PNG
((R)-2-amino-4-(3-(cyclohexylethynyl)phenyl)-4-(4-(...)
Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CC1CCCCC1
Show InChI InChI=1S/C25H25F2N3O2/c1-30-22(31)25(29-24(30)28,19-12-14-21(15-13-19)32-23(26)27)20-9-5-8-18(16-20)11-10-17-6-3-2-4-7-17/h5,8-9,12-17,23H,2-4,6-7H2,1H3,(H2,28,29)/t25-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 330n/an/an/an/an/an/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))
BDBM50329542
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-eth...)
Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#C
Show InChI InChI=1S/C19H15F2N3O2/c1-3-12-5-4-6-14(11-12)19(16(25)24(2)18(22)23-19)13-7-9-15(10-8-13)26-17(20)21/h1,4-11,17H,2H3,(H2,22,23)/t19-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 260n/an/an/an/an/an/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))
BDBM50329550
PNG
((R)-2-amino-4-(3-(cyclopropylethynyl)phenyl)-4-(4-...)
Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CC1CC1
Show InChI InChI=1S/C22H19F2N3O2/c1-27-19(28)22(26-21(27)25,16-9-11-18(12-10-16)29-20(23)24)17-4-2-3-15(13-17)8-7-14-5-6-14/h2-4,9-14,20H,5-6H2,1H3,(H2,25,26)/t22-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 100n/an/an/an/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))
BDBM50329552
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(3-...)
Show SMILES COCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C21H19F2N3O3/c1-26-18(27)21(25-20(26)24,15-8-10-17(11-9-15)29-19(22)23)16-7-3-5-14(13-16)6-4-12-28-2/h3,5,7-11,13,19H,12H2,1-2H3,(H2,24,25)/t21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/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))
BDBM50329549
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl...)
Show SMILES CC(C)C#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C22H21F2N3O2/c1-14(2)7-8-15-5-4-6-17(13-15)22(19(28)27(3)21(25)26-22)16-9-11-18(12-10-16)29-20(23)24/h4-6,9-14,20H,1-3H3,(H2,25,26)/t22-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 50n/an/an/an/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))
BDBM50329543
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl...)
Show SMILES CC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C20H17F2N3O2/c1-3-5-13-6-4-7-15(12-13)20(17(26)25(2)19(23)24-20)14-8-10-16(11-9-14)27-18(21)22/h4,6-12,18H,1-2H3,(H2,23,24)/t20-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/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))
BDBM50329544
PNG
((R)-2-amino-4-(3-(but-1-ynyl)phenyl)-4-(4-(difluor...)
Show SMILES CCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C21H19F2N3O2/c1-3-4-6-14-7-5-8-16(13-14)21(18(27)26(2)20(24)25-21)15-9-11-17(12-10-15)28-19(22)23/h5,7-13,19H,3H2,1-2H3,(H2,24,25)/t21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/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))
BDBM50329554
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-...)
Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCO
Show InChI InChI=1S/C21H19F2N3O3/c1-26-18(28)21(25-20(26)24,15-8-10-17(11-9-15)29-19(22)23)16-7-4-6-14(13-16)5-2-3-12-27/h4,6-11,13,19,27H,3,12H2,1H3,(H2,24,25)/t21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 20n/an/an/an/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))
BDBM50329553
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-...)
Show SMILES COCCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C22H21F2N3O3/c1-27-19(28)22(26-21(27)25,16-9-11-18(12-10-16)30-20(23)24)17-8-5-7-15(14-17)6-3-4-13-29-2/h5,7-12,14,20H,4,13H2,1-2H3,(H2,25,26)/t22-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 10n/an/an/an/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))
BDBM50329547
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-...)
Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCF
Show InChI InChI=1S/C21H18F3N3O2/c1-27-18(28)21(26-20(27)25,15-8-10-17(11-9-15)29-19(23)24)16-7-4-6-14(13-16)5-2-3-12-22/h4,6-11,13,19H,3,12H2,1H3,(H2,25,26)/t21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 130n/an/an/an/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))
BDBM50329549
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl...)
Show SMILES CC(C)C#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C22H21F2N3O2/c1-14(2)7-8-15-5-4-6-17(13-15)22(19(28)27(3)21(25)26-22)16-9-11-18(12-10-16)29-20(23)24/h4-6,9-14,20H,1-3H3,(H2,25,26)/t22-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/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))
BDBM50329548
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(6-...)
Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCCCF
Show InChI InChI=1S/C23H22F3N3O2/c1-29-20(30)23(28-22(29)27,17-10-12-19(13-11-17)31-21(25)26)18-9-6-8-16(15-18)7-4-2-3-5-14-24/h6,8-13,15,21H,2-3,5,14H2,1H3,(H2,27,28)/t23-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 70n/an/an/an/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))
BDBM50329550
PNG
((R)-2-amino-4-(3-(cyclopropylethynyl)phenyl)-4-(4-...)
Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CC1CC1
Show InChI InChI=1S/C22H19F2N3O2/c1-27-19(28)22(26-21(27)25,16-9-11-18(12-10-16)29-20(23)24)17-4-2-3-15(13-17)8-7-14-5-6-14/h2-4,9-14,20H,5-6H2,1H3,(H2,25,26)/t22-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/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))
BDBM50329545
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl...)
Show SMILES CCCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C22H21F2N3O2/c1-3-4-5-7-15-8-6-9-17(14-15)22(19(28)27(2)21(25)26-22)16-10-12-18(13-11-16)29-20(23)24/h6,8-14,20H,3-4H2,1-2H3,(H2,25,26)/t22-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 220n/an/an/an/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))
BDBM50329546
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(3-...)
Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCF
Show InChI InChI=1S/C20H16F3N3O2/c1-26-17(27)20(25-19(26)24,14-7-9-16(10-8-14)28-18(22)23)15-6-2-4-13(12-15)5-3-11-21/h2,4,6-10,12,18H,11H2,1H3,(H2,24,25)/t20-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 330n/an/an/an/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 2


(Homo sapiens (Human))
BDBM50329543
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl...)
Show SMILES CC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C20H17F2N3O2/c1-3-5-13-6-4-7-15(12-13)20(17(26)25(2)19(23)24-20)14-8-10-16(11-9-14)27-18(21)22/h4,6-12,18H,1-2H3,(H2,23,24)/t20-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 210n/an/an/an/an/an/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
Beta-secretase 2


(Homo sapiens (Human))
BDBM50329545
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl...)
Show SMILES CCCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C22H21F2N3O2/c1-3-4-5-7-15-8-6-9-17(14-15)22(19(28)27(2)21(25)26-22)16-10-12-18(13-11-16)29-20(23)24/h6,8-14,20H,3-4H2,1-2H3,(H2,25,26)/t22-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 350n/an/an/an/an/an/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
Beta-secretase 2


(Homo sapiens (Human))
BDBM50329548
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(6-...)
Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCCCF
Show InChI InChI=1S/C23H22F3N3O2/c1-29-20(30)23(28-22(29)27,17-10-12-19(13-11-17)31-21(25)26)18-9-6-8-16(15-18)7-4-2-3-5-14-24/h6,8-13,15,21H,2-3,5,14H2,1H3,(H2,27,28)/t23-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 320n/an/an/an/an/an/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
Beta-secretase 2


(Homo sapiens (Human))
BDBM50329549
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl...)
Show SMILES CC(C)C#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C22H21F2N3O2/c1-14(2)7-8-15-5-4-6-17(13-15)22(19(28)27(3)21(25)26-22)16-9-11-18(12-10-16)29-20(23)24/h4-6,9-14,20H,1-3H3,(H2,25,26)/t22-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/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
Beta-secretase 2


(Homo sapiens (Human))
BDBM50329550
PNG
((R)-2-amino-4-(3-(cyclopropylethynyl)phenyl)-4-(4-...)
Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CC1CC1
Show InChI InChI=1S/C22H19F2N3O2/c1-27-19(28)22(26-21(27)25,16-9-11-18(12-10-16)29-20(23)24)17-4-2-3-15(13-17)8-7-14-5-6-14/h2-4,9-14,20H,5-6H2,1H3,(H2,25,26)/t22-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/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
Beta-secretase 2


(Homo sapiens (Human))
BDBM50329552
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(3-...)
Show SMILES COCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C21H19F2N3O3/c1-26-18(27)21(25-20(26)24,15-8-10-17(11-9-15)29-19(22)23)16-7-3-5-14(13-16)6-4-12-28-2/h3,5,7-11,13,19H,12H2,1-2H3,(H2,24,25)/t21-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/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
Beta-secretase 2


(Homo sapiens (Human))
BDBM50329553
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-...)
Show SMILES COCCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C22H21F2N3O3/c1-27-19(28)22(26-21(27)25,16-9-11-18(12-10-16)30-20(23)24)17-8-5-7-15(14-17)6-3-4-13-29-2/h5,7-12,14,20H,4,13H2,1-2H3,(H2,25,26)/t22-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/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
Cathepsin D


(Homo sapiens (human))
BDBM50329543
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl...)
Show SMILES CC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C20H17F2N3O2/c1-3-5-13-6-4-7-15(12-13)20(17(26)25(2)19(23)24-20)14-8-10-16(11-9-14)27-18(21)22/h4,6-12,18H,1-2H3,(H2,23,24)/t20-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.12E+3n/an/an/an/an/an/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
Cathepsin D


(Homo sapiens (human))
BDBM50329545
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl...)
Show SMILES CCCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C22H21F2N3O2/c1-3-4-5-7-15-8-6-9-17(14-15)22(19(28)27(2)21(25)26-22)16-10-12-18(13-11-16)29-20(23)24/h6,8-14,20H,3-4H2,1-2H3,(H2,25,26)/t22-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.20E+3n/an/an/an/an/an/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
Cathepsin D


(Homo sapiens (human))
BDBM50329548
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(6-...)
Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCCCF
Show InChI InChI=1S/C23H22F3N3O2/c1-29-20(30)23(28-22(29)27,17-10-12-19(13-11-17)31-21(25)26)18-9-6-8-16(15-18)7-4-2-3-5-14-24/h6,8-13,15,21H,2-3,5,14H2,1H3,(H2,27,28)/t23-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/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
Cathepsin D


(Homo sapiens (human))
BDBM50329549
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl...)
Show SMILES CC(C)C#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C22H21F2N3O2/c1-14(2)7-8-15-5-4-6-17(13-15)22(19(28)27(3)21(25)26-22)16-9-11-18(12-10-16)29-20(23)24/h4-6,9-14,20H,1-3H3,(H2,25,26)/t22-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/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
Cathepsin D


(Homo sapiens (human))
BDBM50329550
PNG
((R)-2-amino-4-(3-(cyclopropylethynyl)phenyl)-4-(4-...)
Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CC1CC1
Show InChI InChI=1S/C22H19F2N3O2/c1-27-19(28)22(26-21(27)25,16-9-11-18(12-10-16)29-20(23)24)17-4-2-3-15(13-17)8-7-14-5-6-14/h2-4,9-14,20H,5-6H2,1H3,(H2,25,26)/t22-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.75E+3n/an/an/an/an/an/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
Cathepsin D


(Homo sapiens (human))
BDBM50329552
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(3-...)
Show SMILES COCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C21H19F2N3O3/c1-26-18(27)21(25-20(26)24,15-8-10-17(11-9-15)29-19(22)23)16-7-3-5-14(13-16)6-4-12-28-2/h3,5,7-11,13,19H,12H2,1-2H3,(H2,24,25)/t21-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.20E+3n/an/an/an/an/an/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
Cathepsin D


(Homo sapiens (human))
BDBM50329553
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(4-...)
Show SMILES COCCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C22H21F2N3O3/c1-27-19(28)22(26-21(27)25,16-9-11-18(12-10-16)30-20(23)24)17-8-5-7-15(14-17)6-3-4-13-29-2/h5,7-12,14,20H,4,13H2,1-2H3,(H2,25,26)/t22-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.90E+3n/an/an/an/an/an/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 3A


(Homo sapiens (human))
BDBM50329550
PNG
((R)-2-amino-4-(3-(cyclopropylethynyl)phenyl)-4-(4-...)
Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CC1CC1
Show InChI InChI=1S/C22H19F2N3O2/c1-27-19(28)22(26-21(27)25,16-9-11-18(12-10-16)29-20(23)24)17-4-2-3-15(13-17)8-7-14-5-6-14/h2-4,9-14,20H,5-6H2,1H3,(H2,25,26)/t22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/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
Renin


(Homo sapiens (human))
BDBM50329543
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl...)
Show SMILES CC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C20H17F2N3O2/c1-3-5-13-6-4-7-15(12-13)20(17(26)25(2)19(23)24-20)14-8-10-16(11-9-14)27-18(21)22/h4,6-12,18H,1-2H3,(H2,23,24)/t20-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.60E+3n/an/an/an/an/an/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
Renin


(Homo sapiens (human))
BDBM50329545
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl...)
Show SMILES CCCC#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C22H21F2N3O2/c1-3-4-5-7-15-8-6-9-17(14-15)22(19(28)27(2)21(25)26-22)16-10-12-18(13-11-16)29-20(23)24/h6,8-14,20H,3-4H2,1-2H3,(H2,25,26)/t22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.90E+3n/an/an/an/an/an/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
Renin


(Homo sapiens (human))
BDBM50329548
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(3-(6-...)
Show SMILES CN1C(N)=N[C@](C1=O)(c1ccc(OC(F)F)cc1)c1cccc(c1)C#CCCCCF
Show InChI InChI=1S/C23H22F3N3O2/c1-29-20(30)23(28-22(29)27,17-10-12-19(13-11-17)31-21(25)26)18-9-6-8-16(15-18)7-4-2-3-5-14-24/h6,8-13,15,21H,2-3,5,14H2,1H3,(H2,27,28)/t23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.10E+3n/an/an/an/an/an/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
Renin


(Homo sapiens (human))
BDBM50329549
PNG
((R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl...)
Show SMILES CC(C)C#Cc1cccc(c1)[C@]1(N=C(N)N(C)C1=O)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C22H21F2N3O2/c1-14(2)7-8-15-5-4-6-17(13-15)22(19(28)27(3)21(25)26-22)16-9-11-18(12-10-16)29-20(23)24/h4-6,9-14,20H,1-3H3,(H2,25,26)/t22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.09E+4n/an/an/an/an/an/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
Displayed 1 to 50 (of 53 total )  |  Next  |  Last  >>