BindingDB logo
myBDB logout

17 similar compounds to monomer 50432614

Compile data set for download or QSAR
Wt: 395.3
BDBM124140
Wt: 417.4
BDBM124146
Wt: 427.3
BDBM124149
Wt: 429.4
BDBM124179
Wt: 419.3
BDBM50432615
Wt: 463.3
BDBM50432616
Wt: 395.3
BDBM50432617
Wt: 413.3
BDBM171563
Wt: 427.4
BDBM171565
Wt: 431.3
BDBM171461
Wt: 445.3
BDBM171462
Wt: 471.4
BDBM171786
Wt: 421.3
BDBM171792
Wt: 435.3
BDBM171513
Wt: 445.3
BDBM171514
Displayed 1 to 15 (of 17 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 44 hits for monomerid = 124140,124146,124149,124179,50432615,50432616,50432617,171563,171565,171461,171462,171786,171792,171513,171514   
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))
BDBM124140
PNG
(US8754075, 10)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F
Show InChI InChI=1S/C17H16F3N5O3/c1-17(13(20)7-27-16(21)25-17)10-4-9(2-3-11(10)19)24-15(26)12-5-23-14(6-22-12)28-8-18/h2-6,13H,7-8H2,1H3,(H2,21,25)(H,24,26)/t13-,17+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 24n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...


US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM171792
PNG
(US9085576, 417 | US9611261, Example 417)
Show SMILES CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F
Show InChI InChI=1S/C19H18F3N5O3/c1-2-29-15-8-24-13(7-25-15)16(28)26-9-3-4-12(20)10(5-9)19(17(21)22)11-6-14(11)30-18(23)27-19/h3-5,7-8,11,14,17H,2,6H2,1H3,(H2,23,27)(H,26,28)/t11-,14+,19+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.47E+6n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme ...


US Patent US9611261 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM124149
PNG
(US8754075, 19)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2cnc(OCC(F)F)cn2)ccc1F
Show InChI InChI=1S/C18H17F4N5O3/c1-18(13(20)7-30-17(23)27-18)10-4-9(2-3-11(10)19)26-16(28)12-5-25-15(6-24-12)29-8-14(21)22/h2-6,13-14H,7-8H2,1H3,(H2,23,27)(H,26,28)/t13-,18+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...


US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM124179
PNG
(US8754075, 50)
Show SMILES CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OC[C@]1(C)F
Show InChI InChI=1S/C21H21F2N5O3/c1-4-5-8-30-17-11-25-16(10-26-17)18(29)27-13-6-7-15(22)14(9-13)21(3)20(2,23)12-31-19(24)28-21/h6-7,9-11H,8,12H2,1-3H3,(H2,24,28)(H,27,29)/t20-,21+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.100n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...


US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM124146
PNG
(US8754075, 16)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2cnc(OCC3CC3)cn2)ccc1F
Show InChI InChI=1S/C20H21F2N5O3/c1-20(16(22)10-30-19(23)27-20)13-6-12(4-5-14(13)21)26-18(28)15-7-25-17(8-24-15)29-9-11-2-3-11/h4-8,11,16H,2-3,9-10H2,1H3,(H2,23,27)(H,26,28)/t16-,20+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 590n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...


US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM171461
PNG
(US9085576, 95 | US9611261, Example 95)
Show SMILES NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F
Show InChI InChI=1S/C20H16F3N5O3/c1-2-5-30-16-9-25-14(8-26-16)17(29)27-10-3-4-13(21)11(6-10)20(18(22)23)12-7-15(12)31-19(24)28-20/h1,3-4,6,8-9,12,15,18H,5,7H2,(H2,24,28)(H,27,29)/t12-,15+,20+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.5n/an/an/an/a4.2n/a



AMGEN INC.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...


US Patent US9085576 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9NWF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM171462
PNG
(US9085576, 96 | US9611261, Example 96)
Show SMILES CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F
Show InChI InChI=1S/C21H18F3N5O3/c1-2-3-6-31-17-10-26-15(9-27-17)18(30)28-11-4-5-14(22)12(7-11)21(19(23)24)13-8-16(13)32-20(25)29-21/h4-5,7,9-10,13,16,19H,6,8H2,1H3,(H2,25,29)(H,28,30)/t13-,16+,21+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/an/an/an/a4.2n/a



AMGEN INC.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...


US Patent US9085576 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9NWF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM171513
PNG
(US9085576, 147 | US9611261, Example 147)
Show SMILES CC(C)Oc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F
Show InChI InChI=1S/C20H20F3N5O3/c1-9(2)30-16-8-25-14(7-26-16)17(29)27-10-3-4-13(21)11(5-10)20(18(22)23)12-6-15(12)31-19(24)28-20/h3-5,7-9,12,15,18H,6H2,1-2H3,(H2,24,28)(H,27,29)/t12-,15+,20+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 732n/an/an/an/a4.2n/a



AMGEN INC.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...


US Patent US9085576 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9NWF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM171514
PNG
(US9085576, 148 | US9611261, Example 148)
Show SMILES C[C@@H](Oc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#C
Show InChI InChI=1S/C21H18F3N5O3/c1-3-10(2)31-17-9-26-15(8-27-17)18(30)28-11-4-5-14(22)12(6-11)21(19(23)24)13-7-16(13)32-20(25)29-21/h1,4-6,8-10,13,16,19H,7H2,2H3,(H2,25,29)(H,28,30)/t10-,13+,16-,21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 195n/an/an/an/a4.2n/a



AMGEN INC.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...


US Patent US9085576 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9NWF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM171563
PNG
(US9085576, 197 | US9611261, Example 197)
Show SMILES NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F
Show InChI InChI=1S/C20H17F2N5O3/c1-2-5-29-17-9-24-15(8-25-17)18(28)26-11-3-4-14(22)12(6-11)20(10-21)13-7-16(13)30-19(23)27-20/h1,3-4,6,8-9,13,16H,5,7,10H2,(H2,23,27)(H,26,28)/t13-,16+,20+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6.60n/an/an/an/a4.2n/a



AMGEN INC.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...


US Patent US9085576 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9NWF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM171565
PNG
(US9085576, 199 | US9611261, Example 199)
Show SMILES CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12
Show InChI InChI=1S/C21H19F2N5O3/c1-2-3-6-30-18-10-25-16(9-26-18)19(29)27-12-4-5-15(23)13(7-12)21(11-22)14-8-17(14)31-20(24)28-21/h4-5,7,9-10,14,17H,6,8,11H2,1H3,(H2,24,28)(H,27,29)/t14-,17+,21+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.20n/an/an/an/a4.2n/a



AMGEN INC.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...


US Patent US9085576 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9NWF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM171786
PNG
(US9085576, 411)
Show SMILES NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#CC3CC3)cn2)ccc1F
Show InChI InChI=1S/C23H20F3N5O3/c24-16-6-5-13(8-14(16)23(21(25)26)15-9-18(15)34-22(27)31-23)30-20(32)17-10-29-19(11-28-17)33-7-1-2-12-3-4-12/h5-6,8,10-12,15,18,21H,3-4,7,9H2,(H2,27,31)(H,30,32)/t15-,18+,23+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 7.60n/an/an/an/a4.2n/a



AMGEN INC.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...


US Patent US9085576 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9NWF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM171792
PNG
(US9085576, 417 | US9611261, Example 417)
Show SMILES CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F
Show InChI InChI=1S/C19H18F3N5O3/c1-2-29-15-8-24-13(7-25-15)16(28)26-9-3-4-12(20)10(5-9)19(17(21)22)11-6-14(11)30-18(23)27-19/h3-5,7-8,11,14,17H,2,6H2,1H3,(H2,23,27)(H,26,28)/t11-,14+,19+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 115n/an/an/an/a4.2n/a



AMGEN INC.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...


US Patent US9085576 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9NWF
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM171461
PNG
(US9085576, 95 | US9611261, Example 95)
Show SMILES NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F
Show InChI InChI=1S/C20H16F3N5O3/c1-2-5-30-16-9-25-14(8-26-16)17(29)27-10-3-4-13(21)11(6-10)20(18(22)23)12-7-15(12)31-19(24)28-20/h1,3-4,6,8-9,12,15,18H,5,7H2,(H2,24,28)(H,27,29)/t12-,15+,20+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.43E+5n/an/an/an/a3.5n/a



AMGEN INC.

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme ...


US Patent US9085576 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9NWF
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM171462
PNG
(US9085576, 96 | US9611261, Example 96)
Show SMILES CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F
Show InChI InChI=1S/C21H18F3N5O3/c1-2-3-6-31-17-10-26-15(9-27-17)18(30)28-11-4-5-14(22)12(7-11)21(19(23)24)13-8-16(13)32-20(25)29-21/h4-5,7,9-10,13,16,19H,6,8H2,1H3,(H2,25,29)(H,28,30)/t13-,16+,21+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4.67E+5n/an/an/an/a3.5n/a



AMGEN INC.

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme ...


US Patent US9085576 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9NWF
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM171513
PNG
(US9085576, 147 | US9611261, Example 147)
Show SMILES CC(C)Oc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F
Show InChI InChI=1S/C20H20F3N5O3/c1-9(2)30-16-8-25-14(7-26-16)17(29)27-10-3-4-13(21)11(5-10)20(18(22)23)12-6-15(12)31-19(24)28-20/h3-5,7-9,12,15,18H,6H2,1-2H3,(H2,24,28)(H,27,29)/t12-,15+,20+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 7.06E+5n/an/an/an/a3.5n/a



AMGEN INC.

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme ...


US Patent US9085576 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9NWF
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM171514
PNG
(US9085576, 148 | US9611261, Example 148)
Show SMILES C[C@@H](Oc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#C
Show InChI InChI=1S/C21H18F3N5O3/c1-3-10(2)31-17-9-26-15(8-27-17)18(30)28-11-4-5-14(22)12(6-11)21(19(23)24)13-7-16(13)32-20(25)29-21/h1,4-6,8-10,13,16,19H,7H2,2H3,(H2,25,29)(H,28,30)/t10-,13+,16-,21-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8.49E+5n/an/an/an/a3.5n/a



AMGEN INC.

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme ...


US Patent US9085576 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9NWF
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM171563
PNG
(US9085576, 197 | US9611261, Example 197)
Show SMILES NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F
Show InChI InChI=1S/C20H17F2N5O3/c1-2-5-29-17-9-24-15(8-25-17)18(28)26-11-3-4-14(22)12(6-11)20(10-21)13-7-16(13)30-19(23)27-20/h1,3-4,6,8-9,13,16H,5,7,10H2,(H2,23,27)(H,26,28)/t13-,16+,20+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.61E+5n/an/an/an/a3.5n/a



AMGEN INC.

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme ...


US Patent US9085576 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9NWF
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM171565
PNG
(US9085576, 199 | US9611261, Example 199)
Show SMILES CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12
Show InChI InChI=1S/C21H19F2N5O3/c1-2-3-6-30-18-10-25-16(9-26-18)19(29)27-12-4-5-15(23)13(7-12)21(11-22)14-8-17(14)31-20(24)28-21/h4-5,7,9-10,14,17H,6,8,11H2,1H3,(H2,24,28)(H,27,29)/t14-,17+,21+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 9.59E+5n/an/an/an/a3.5n/a



AMGEN INC.

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme ...


US Patent US9085576 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9NWF
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM171786
PNG
(US9085576, 411)
Show SMILES NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#CC3CC3)cn2)ccc1F
Show InChI InChI=1S/C23H20F3N5O3/c24-16-6-5-13(8-14(16)23(21(25)26)15-9-18(15)34-22(27)31-23)30-20(32)17-10-29-19(11-28-17)33-7-1-2-12-3-4-12/h5-6,8,10-12,15,18,21H,3-4,7,9H2,(H2,27,31)(H,30,32)/t15-,18+,23+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.60E+5n/an/an/an/a3.5n/a



AMGEN INC.

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme ...


US Patent US9085576 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9NWF
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM171792
PNG
(US9085576, 417 | US9611261, Example 417)
Show SMILES CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F
Show InChI InChI=1S/C19H18F3N5O3/c1-2-29-15-8-24-13(7-25-15)16(28)26-9-3-4-12(20)10(5-9)19(17(21)22)11-6-14(11)30-18(23)27-19/h3-5,7-8,11,14,17H,2,6H2,1H3,(H2,23,27)(H,26,28)/t11-,14+,19+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.47E+6n/an/an/an/a3.5n/a



AMGEN INC.

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme ...


US Patent US9085576 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9NWF
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432615
PNG
(CHEMBL2347197)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F
Show InChI InChI=1S/C19H16F3N5O3/c1-3-6-29-15-9-24-14(8-25-15)16(28)26-11-4-5-13(20)12(7-11)18(2)19(21,22)10-30-17(23)27-18/h1,4-5,7-9H,6,10H2,2H3,(H2,23,27)(H,26,28)/t18-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human BACE1 in HEK293 cells transfected with wild type APP assessed as reduction of amyloid beta40 level after 18 to 20 hrs by AlphaLIS...


J Med Chem 56: 3980-95 (2013)


Article DOI: 10.1021/jm400225m
BindingDB Entry DOI: 10.7270/Q2RX9DFZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432616
PNG
(CHEMBL2347196)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)ccc1F
Show InChI InChI=1S/C18H15F6N5O3/c1-16(17(20,21)7-32-15(25)29-16)10-4-9(2-3-11(10)19)28-14(30)12-5-27-13(6-26-12)31-8-18(22,23)24/h2-6H,7-8H2,1H3,(H2,25,29)(H,28,30)/t16-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human BACE1 in HEK293 cells transfected with wild type APP assessed as reduction of amyloid beta40 level after 18 to 20 hrs by AlphaLIS...


J Med Chem 56: 3980-95 (2013)


Article DOI: 10.1021/jm400225m
BindingDB Entry DOI: 10.7270/Q2RX9DFZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432617
PNG
(CHEMBL2347195)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OCC1(F)F
Show InChI InChI=1S/C17H16F3N5O3/c1-16(17(19,20)8-28-15(21)25-16)10-5-9(3-4-11(10)18)24-14(26)12-6-23-13(27-2)7-22-12/h3-7H,8H2,1-2H3,(H2,21,25)(H,24,26)/t16-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human BACE1 in HEK293 cells transfected with wild type APP assessed as reduction of amyloid beta40 level after 18 to 20 hrs by AlphaLIS...


J Med Chem 56: 3980-95 (2013)


Article DOI: 10.1021/jm400225m
BindingDB Entry DOI: 10.7270/Q2RX9DFZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432617
PNG
(CHEMBL2347195)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OCC1(F)F
Show InChI InChI=1S/C17H16F3N5O3/c1-16(17(19,20)8-28-15(21)25-16)10-5-9(3-4-11(10)18)24-14(26)12-6-23-13(27-2)7-22-12/h3-7H,8H2,1-2H3,(H2,21,25)(H,24,26)/t16-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 27n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human BACE1 using MR121-labeled substrate incubated for 4 mins prior to substrate addition measured after 2 mins by spectrophotometric ...


J Med Chem 56: 3980-95 (2013)


Article DOI: 10.1021/jm400225m
BindingDB Entry DOI: 10.7270/Q2RX9DFZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432616
PNG
(CHEMBL2347196)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)ccc1F
Show InChI InChI=1S/C18H15F6N5O3/c1-16(17(20,21)7-32-15(25)29-16)10-4-9(2-3-11(10)19)28-14(30)12-5-27-13(6-26-12)31-8-18(22,23)24/h2-6H,7-8H2,1H3,(H2,25,29)(H,28,30)/t16-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human BACE1 using MR121-labeled substrate incubated for 4 mins prior to substrate addition measured after 2 mins by spectrophotometric ...


J Med Chem 56: 3980-95 (2013)


Article DOI: 10.1021/jm400225m
BindingDB Entry DOI: 10.7270/Q2RX9DFZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50432615
PNG
(CHEMBL2347197)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F
Show InChI InChI=1S/C19H16F3N5O3/c1-3-6-29-15-9-24-14(8-25-15)16(28)26-11-4-5-13(20)12(7-11)18(2)19(21,22)10-30-17(23)27-18/h1,4-5,7-9H,6,10H2,2H3,(H2,23,27)(H,26,28)/t18-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human BACE1 using MR121-labeled substrate incubated for 4 mins prior to substrate addition measured after 2 mins by spectrophotometric ...


J Med Chem 56: 3980-95 (2013)


Article DOI: 10.1021/jm400225m
BindingDB Entry DOI: 10.7270/Q2RX9DFZ
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50432615
PNG
(CHEMBL2347197)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F
Show InChI InChI=1S/C19H16F3N5O3/c1-3-6-29-15-9-24-14(8-25-15)16(28)26-11-4-5-13(20)12(7-11)18(2)19(21,22)10-30-17(23)27-18/h1,4-5,7-9H,6,10H2,2H3,(H2,23,27)(H,26,28)/t18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 175n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human BACE2 using MR121-labeled substrate incubated for 4 mins prior to substrate addition measured after 2 mins by spectrophotometric ...


J Med Chem 56: 3980-95 (2013)


Article DOI: 10.1021/jm400225m
BindingDB Entry DOI: 10.7270/Q2RX9DFZ
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50432616
PNG
(CHEMBL2347196)
Show SMILES C[C@@]1(N=C(N)OCC1(F)F)c1cc(NC(=O)c2cnc(OCC(F)(F)F)cn2)ccc1F
Show InChI InChI=1S/C18H15F6N5O3/c1-16(17(20,21)7-32-15(25)29-16)10-4-9(2-3-11(10)19)28-14(30)12-5-27-13(6-26-12)31-8-18(22,23)24/h2-6H,7-8H2,1H3,(H2,25,29)(H,28,30)/t16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 943n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human BACE2 using MR121-labeled substrate incubated for 4 mins prior to substrate addition measured after 2 mins by spectrophotometric ...


J Med Chem 56: 3980-95 (2013)


Article DOI: 10.1021/jm400225m
BindingDB Entry DOI: 10.7270/Q2RX9DFZ
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM50432617
PNG
(CHEMBL2347195)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OCC1(F)F
Show InChI InChI=1S/C17H16F3N5O3/c1-16(17(19,20)8-28-15(21)25-16)10-5-9(3-4-11(10)18)24-14(26)12-6-23-13(27-2)7-22-12/h3-7H,8H2,1-2H3,(H2,21,25)(H,24,26)/t16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 119n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of human BACE2 using MR121-labeled substrate incubated for 4 mins prior to substrate addition measured after 2 mins by spectrophotometric ...


J Med Chem 56: 3980-95 (2013)


Article DOI: 10.1021/jm400225m
BindingDB Entry DOI: 10.7270/Q2RX9DFZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM171461
PNG
(US9085576, 95 | US9611261, Example 95)
Show SMILES NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F
Show InChI InChI=1S/C20H16F3N5O3/c1-2-5-30-16-9-25-14(8-26-16)17(29)27-10-3-4-13(21)11(6-10)20(18(22)23)12-7-15(12)31-19(24)28-20/h1,3-4,6,8-9,12,15,18H,5,7H2,(H2,24,28)(H,27,29)/t12-,15+,20+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...


US Patent US9611261 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM171461
PNG
(US9085576, 95 | US9611261, Example 95)
Show SMILES NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F
Show InChI InChI=1S/C20H16F3N5O3/c1-2-5-30-16-9-25-14(8-26-16)17(29)27-10-3-4-13(21)11(6-10)20(18(22)23)12-7-15(12)31-19(24)28-20/h1,3-4,6,8-9,12,15,18H,5,7H2,(H2,24,28)(H,27,29)/t12-,15+,20+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.43E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme ...


US Patent US9611261 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM171462
PNG
(US9085576, 96 | US9611261, Example 96)
Show SMILES CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F
Show InChI InChI=1S/C21H18F3N5O3/c1-2-3-6-31-17-10-26-15(9-27-17)18(30)28-11-4-5-14(22)12(7-11)21(19(23)24)13-8-16(13)32-20(25)29-21/h4-5,7,9-10,13,16,19H,6,8H2,1H3,(H2,25,29)(H,28,30)/t13-,16+,21+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...


US Patent US9611261 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM171462
PNG
(US9085576, 96 | US9611261, Example 96)
Show SMILES CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F
Show InChI InChI=1S/C21H18F3N5O3/c1-2-3-6-31-17-10-26-15(9-27-17)18(30)28-11-4-5-14(22)12(7-11)21(19(23)24)13-8-16(13)32-20(25)29-21/h4-5,7,9-10,13,16,19H,6,8H2,1H3,(H2,25,29)(H,28,30)/t13-,16+,21+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4.67E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme ...


US Patent US9611261 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM171513
PNG
(US9085576, 147 | US9611261, Example 147)
Show SMILES CC(C)Oc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F
Show InChI InChI=1S/C20H20F3N5O3/c1-9(2)30-16-8-25-14(7-26-16)17(29)27-10-3-4-13(21)11(5-10)20(18(22)23)12-6-15(12)31-19(24)28-20/h3-5,7-9,12,15,18H,6H2,1-2H3,(H2,24,28)(H,27,29)/t12-,15+,20+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 732n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...


US Patent US9611261 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM171513
PNG
(US9085576, 147 | US9611261, Example 147)
Show SMILES CC(C)Oc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F
Show InChI InChI=1S/C20H20F3N5O3/c1-9(2)30-16-8-25-14(7-26-16)17(29)27-10-3-4-13(21)11(5-10)20(18(22)23)12-6-15(12)31-19(24)28-20/h3-5,7-9,12,15,18H,6H2,1-2H3,(H2,24,28)(H,27,29)/t12-,15+,20+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 7.06E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme ...


US Patent US9611261 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM171514
PNG
(US9085576, 148 | US9611261, Example 148)
Show SMILES C[C@@H](Oc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#C
Show InChI InChI=1S/C21H18F3N5O3/c1-3-10(2)31-17-9-26-15(8-27-17)18(30)28-11-4-5-14(22)12(6-11)21(19(23)24)13-7-16(13)32-20(25)29-21/h1,4-6,8-10,13,16,19H,7H2,2H3,(H2,25,29)(H,28,30)/t10-,13+,16-,21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 195n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...


US Patent US9611261 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM171514
PNG
(US9085576, 148 | US9611261, Example 148)
Show SMILES C[C@@H](Oc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)C#C
Show InChI InChI=1S/C21H18F3N5O3/c1-3-10(2)31-17-9-26-15(8-27-17)18(30)28-11-4-5-14(22)12(6-11)21(19(23)24)13-7-16(13)32-20(25)29-21/h1,4-6,8-10,13,16,19H,7H2,2H3,(H2,25,29)(H,28,30)/t10-,13+,16-,21-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8.49E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme ...


US Patent US9611261 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM171563
PNG
(US9085576, 197 | US9611261, Example 197)
Show SMILES NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F
Show InChI InChI=1S/C20H17F2N5O3/c1-2-5-29-17-9-24-15(8-25-17)18(28)26-11-3-4-14(22)12(6-11)20(10-21)13-7-16(13)30-19(23)27-20/h1,3-4,6,8-9,13,16H,5,7,10H2,(H2,23,27)(H,26,28)/t13-,16+,20+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6.60n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...


US Patent US9611261 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM171563
PNG
(US9085576, 197 | US9611261, Example 197)
Show SMILES NC1=N[C@@](CF)([C@H]2C[C@H]2O1)c1cc(NC(=O)c2cnc(OCC#C)cn2)ccc1F
Show InChI InChI=1S/C20H17F2N5O3/c1-2-5-29-17-9-24-15(8-25-17)18(28)26-11-3-4-14(22)12(6-11)20(10-21)13-7-16(13)30-19(23)27-20/h1,3-4,6,8-9,13,16H,5,7,10H2,(H2,23,27)(H,26,28)/t13-,16+,20+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.61E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme ...


US Patent US9611261 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM171565
PNG
(US9085576, 199 | US9611261, Example 199)
Show SMILES CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12
Show InChI InChI=1S/C21H19F2N5O3/c1-2-3-6-30-18-10-25-16(9-26-18)19(29)27-12-4-5-15(23)13(7-12)21(11-22)14-8-17(14)31-20(24)28-21/h4-5,7,9-10,14,17H,6,8,11H2,1H3,(H2,24,28)(H,27,29)/t14-,17+,21+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.20n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...


US Patent US9611261 (2017)

More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM171565
PNG
(US9085576, 199 | US9611261, Example 199)
Show SMILES CC#CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@@]1(CF)N=C(N)O[C@@H]2C[C@H]12
Show InChI InChI=1S/C21H19F2N5O3/c1-2-3-6-30-18-10-25-16(9-26-18)19(29)27-12-4-5-15(23)13(7-12)21(11-22)14-8-17(14)31-20(24)28-21/h4-5,7,9-10,14,17H,6,8,11H2,1H3,(H2,24,28)(H,27,29)/t14-,17+,21+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 9.59E+5n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme ...


US Patent US9611261 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM171792
PNG
(US9085576, 417 | US9611261, Example 417)
Show SMILES CCOc1cnc(cn1)C(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F
Show InChI InChI=1S/C19H18F3N5O3/c1-2-29-15-8-24-13(7-25-15)16(28)26-9-3-4-12(20)10(5-9)19(17(21)22)11-6-14(11)30-18(23)27-19/h3-5,7-8,11,14,17H,2,6H2,1H3,(H2,23,27)(H,26,28)/t11-,14+,19+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 115n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
The assay buffer used in this screen is 0.05 M acetate, pH 4.2, 10% DMSO final, 100 uM genapol (which is a nonionic detergent, below its Critical Mic...


US Patent US9611261 (2017)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM124146
PNG
(US8754075, 16)
Show SMILES C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)c2cnc(OCC3CC3)cn2)ccc1F
Show InChI InChI=1S/C20H21F2N5O3/c1-20(16(22)10-30-19(23)27-20)13-6-12(4-5-14(13)21)26-18(28)15-7-25-17(8-24-15)29-9-11-2-3-11/h4-8,11,16H,2-3,9-10H2,1H3,(H2,23,27)(H,26,28)/t16-,20+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 5n/an/an/an/an/a37



Hoffmann-La Roche Inc.

US Patent


Assay Description
The assay uses the principle of inhibition of human TMEM27 cleavage by endogenous cellular BACE2 in the Ins1e rat cell line and shedding from the cel...


US Patent US8754075 (2014)


BindingDB Entry DOI: 10.7270/Q2FX784Q
More data for this
Ligand-Target Pair