BindingDB logo
myBDB logout

5 similar compounds to monomer 50352854

Compile data set for download or QSAR
Wt: 422.4
BDBM50352849
Wt: 422.4
BDBM50352851
Wt: 384.4
BDBM50352867
Wt: 405.4
BDBM50352884
Wt: 366.4
BDBM50352886

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50352849,50352851,50352867,50352884,50352886   
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))
BDBM50352867
PNG
(CHEMBL1824357)
Show SMILES CN1C(N)=NC(C1=O)(c1ccsc1)c1ccc(F)c(c1)-c1cccnc1F
Show InChI InChI=1S/C19H14F2N4OS/c1-25-17(26)19(24-18(25)22,12-6-8-27-10-12)11-4-5-15(20)14(9-11)13-3-2-7-23-16(13)21/h2-10H,1H3,(H2,22,24)
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 BACE1 by FRET assay


Bioorg Med Chem Lett 21: 5164-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.057
BindingDB Entry DOI: 10.7270/Q2WQ045T
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50352886
PNG
(CHEMBL1824355)
Show SMILES CN1C(N)=NC(C1=O)(c1ccsc1)c1cccc(c1)-c1cccnc1F
Show InChI InChI=1S/C19H15FN4OS/c1-24-17(25)19(23-18(24)21,14-7-9-26-11-14)13-5-2-4-12(10-13)15-6-3-8-22-16(15)20/h2-11H,1H3,(H2,21,23)
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 8.00E+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 21: 5164-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.057
BindingDB Entry DOI: 10.7270/Q2WQ045T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50352886
PNG
(CHEMBL1824355)
Show SMILES CN1C(N)=NC(C1=O)(c1ccsc1)c1cccc(c1)-c1cccnc1F
Show InChI InChI=1S/C19H15FN4OS/c1-24-17(25)19(23-18(24)21,14-7-9-26-11-14)13-5-2-4-12(10-13)15-6-3-8-22-16(15)20/h2-11H,1H3,(H2,21,23)
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 BACE1 by FRET assay


Bioorg Med Chem Lett 21: 5164-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.057
BindingDB Entry DOI: 10.7270/Q2WQ045T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50352849
PNG
(CHEMBL1824360)
Show SMILES CCC(=O)c1cc(cs1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F
Show InChI InChI=1S/C22H19FN4O2S/c1-3-17(28)18-11-15(12-30-18)22(20(29)27(2)21(24)26-22)14-7-4-6-13(10-14)16-8-5-9-25-19(16)23/h4-12H,3H2,1-2H3,(H2,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay


Bioorg Med Chem Lett 21: 5164-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.057
BindingDB Entry DOI: 10.7270/Q2WQ045T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50352849
PNG
(CHEMBL1824360)
Show SMILES CCC(=O)c1cc(cs1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F
Show InChI InChI=1S/C22H19FN4O2S/c1-3-17(28)18-11-15(12-30-18)22(20(29)27(2)21(24)26-22)14-7-4-6-13(10-14)16-8-5-9-25-19(16)23/h4-12H,3H2,1-2H3,(H2,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 30n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressed in CHO cells expressing wild type human APP assessed as inhibition of amyloid beta-40 or 42 production by ELISA assay


Bioorg Med Chem Lett 21: 5164-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.057
BindingDB Entry DOI: 10.7270/Q2WQ045T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50352851
PNG
(CHEMBL1824362)
Show SMILES CCC(=O)c1cc(cs1)[C@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F
Show InChI InChI=1S/C22H19FN4O2S/c1-3-17(28)18-11-15(12-30-18)22(20(29)27(2)21(24)26-22)14-7-4-6-13(10-14)16-8-5-9-25-19(16)23/h4-12H,3H2,1-2H3,(H2,24,26)/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 2.90E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressed in CHO cells expressing wild type human APP assessed as inhibition of amyloid beta-40 or 42 production by ELISA assay


Bioorg Med Chem Lett 21: 5164-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.057
BindingDB Entry DOI: 10.7270/Q2WQ045T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50352867
PNG
(CHEMBL1824357)
Show SMILES CN1C(N)=NC(C1=O)(c1ccsc1)c1ccc(F)c(c1)-c1cccnc1F
Show InChI InChI=1S/C19H14F2N4OS/c1-25-17(26)19(24-18(25)22,12-6-8-27-10-12)11-4-5-15(20)14(9-11)13-3-2-7-23-16(13)21/h2-10H,1H3,(H2,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 200n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressed in CHO cells expressing wild type human APP assessed as inhibition of amyloid beta-40 or 42 production by ELISA assay


Bioorg Med Chem Lett 21: 5164-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.057
BindingDB Entry DOI: 10.7270/Q2WQ045T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50352886
PNG
(CHEMBL1824355)
Show SMILES CN1C(N)=NC(C1=O)(c1ccsc1)c1cccc(c1)-c1cccnc1F
Show InChI InChI=1S/C19H15FN4OS/c1-24-17(25)19(23-18(24)21,14-7-9-26-11-14)13-5-2-4-12(10-13)15-6-3-8-22-16(15)20/h2-11H,1H3,(H2,21,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 150n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressed in CHO cells expressing wild type human APP assessed as inhibition of amyloid beta-40 or 42 production by ELISA assay


Bioorg Med Chem Lett 21: 5164-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.057
BindingDB Entry DOI: 10.7270/Q2WQ045T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50352884
PNG
(CHEMBL1824353)
Show SMILES CCC(=O)c1cc(cs1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1
Show InChI InChI=1S/C21H19N5O2S/c1-3-17(27)18-8-16(11-29-18)21(19(28)26(2)20(22)25-21)15-6-4-5-13(7-15)14-9-23-12-24-10-14/h4-12H,3H2,1-2H3,(H2,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 70n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 expressed in CHO cells expressing wild type human APP assessed as inhibition of amyloid beta-40 or 42 production by ELISA assay


Bioorg Med Chem Lett 21: 5164-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.057
BindingDB Entry DOI: 10.7270/Q2WQ045T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50352849
PNG
(CHEMBL1824360)
Show SMILES CCC(=O)c1cc(cs1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F
Show InChI InChI=1S/C22H19FN4O2S/c1-3-17(28)18-11-15(12-30-18)22(20(29)27(2)21(24)26-22)14-7-4-6-13(10-14)16-8-5-9-25-19(16)23/h4-12H,3H2,1-2H3,(H2,24,26)
PDB

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 21: 5164-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.057
BindingDB Entry DOI: 10.7270/Q2WQ045T
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50352849
PNG
(CHEMBL1824360)
Show SMILES CCC(=O)c1cc(cs1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F
Show InChI InChI=1S/C22H19FN4O2S/c1-3-17(28)18-11-15(12-30-18)22(20(29)27(2)21(24)26-22)14-7-4-6-13(10-14)16-8-5-9-25-19(16)23/h4-12H,3H2,1-2H3,(H2,24,26)
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 4.10E+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 21: 5164-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.057
BindingDB Entry DOI: 10.7270/Q2WQ045T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50352851
PNG
(CHEMBL1824362)
Show SMILES CCC(=O)c1cc(cs1)[C@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F
Show InChI InChI=1S/C22H19FN4O2S/c1-3-17(28)18-11-15(12-30-18)22(20(29)27(2)21(24)26-22)14-7-4-6-13(10-14)16-8-5-9-25-19(16)23/h4-12H,3H2,1-2H3,(H2,24,26)/t22-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.45E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE2 by FRET assay


Bioorg Med Chem Lett 21: 5164-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.057
BindingDB Entry DOI: 10.7270/Q2WQ045T
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50352851
PNG
(CHEMBL1824362)
Show SMILES CCC(=O)c1cc(cs1)[C@]1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cccnc1F
Show InChI InChI=1S/C22H19FN4O2S/c1-3-17(28)18-11-15(12-30-18)22(20(29)27(2)21(24)26-22)14-7-4-6-13(10-14)16-8-5-9-25-19(16)23/h4-12H,3H2,1-2H3,(H2,24,26)/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 7.84E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D by FRET assay


Bioorg Med Chem Lett 21: 5164-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.057
BindingDB Entry DOI: 10.7270/Q2WQ045T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50352867
PNG
(CHEMBL1824357)
Show SMILES CN1C(N)=NC(C1=O)(c1ccsc1)c1ccc(F)c(c1)-c1cccnc1F
Show InChI InChI=1S/C19H14F2N4OS/c1-25-17(26)19(24-18(25)22,12-6-8-27-10-12)11-4-5-15(20)14(9-11)13-3-2-7-23-16(13)21/h2-10H,1H3,(H2,22,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 410n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE2 by FRET assay


Bioorg Med Chem Lett 21: 5164-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.057
BindingDB Entry DOI: 10.7270/Q2WQ045T
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50352867
PNG
(CHEMBL1824357)
Show SMILES CN1C(N)=NC(C1=O)(c1ccsc1)c1ccc(F)c(c1)-c1cccnc1F
Show InChI InChI=1S/C19H14F2N4OS/c1-25-17(26)19(24-18(25)22,12-6-8-27-10-12)11-4-5-15(20)14(9-11)13-3-2-7-23-16(13)21/h2-10H,1H3,(H2,22,24)
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 2.20E+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 21: 5164-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.057
BindingDB Entry DOI: 10.7270/Q2WQ045T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50352884
PNG
(CHEMBL1824353)
Show SMILES CCC(=O)c1cc(cs1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1
Show InChI InChI=1S/C21H19N5O2S/c1-3-17(27)18-8-16(11-29-18)21(19(28)26(2)20(22)25-21)15-6-4-5-13(7-15)14-9-23-12-24-10-14/h4-12H,3H2,1-2H3,(H2,22,25)
PDB

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 21: 5164-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.057
BindingDB Entry DOI: 10.7270/Q2WQ045T
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50352884
PNG
(CHEMBL1824353)
Show SMILES CCC(=O)c1cc(cs1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1
Show InChI InChI=1S/C21H19N5O2S/c1-3-17(27)18-8-16(11-29-18)21(19(28)26(2)20(22)25-21)15-6-4-5-13(7-15)14-9-23-12-24-10-14/h4-12H,3H2,1-2H3,(H2,22,25)
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 1.31E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of cathepsin D by FRET assay


Bioorg Med Chem Lett 21: 5164-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.057
BindingDB Entry DOI: 10.7270/Q2WQ045T
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50352886
PNG
(CHEMBL1824355)
Show SMILES CN1C(N)=NC(C1=O)(c1ccsc1)c1cccc(c1)-c1cccnc1F
Show InChI InChI=1S/C19H15FN4OS/c1-24-17(25)19(23-18(24)21,14-7-9-26-11-14)13-5-2-4-12(10-13)15-6-3-8-22-16(15)20/h2-11H,1H3,(H2,21,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 230n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE2 by FRET assay


Bioorg Med Chem Lett 21: 5164-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.057
BindingDB Entry DOI: 10.7270/Q2WQ045T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50352884
PNG
(CHEMBL1824353)
Show SMILES CCC(=O)c1cc(cs1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1
Show InChI InChI=1S/C21H19N5O2S/c1-3-17(27)18-8-16(11-29-18)21(19(28)26(2)20(22)25-21)15-6-4-5-13(7-15)14-9-23-12-24-10-14/h4-12H,3H2,1-2H3,(H2,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by FRET assay


Bioorg Med Chem Lett 21: 5164-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.057
BindingDB Entry DOI: 10.7270/Q2WQ045T
More data for this
Ligand-Target Pair