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Patent code US9006268

Compile Data Set for Download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM155349
PNG
(US9006268, 21)
Show SMILES Clc1ccc(cc1)-c1nc(c([nH]1)C1CCN(CCc2ccccc2)CC1)-c1ncccn1
Show InChI InChI=1S/C26H26ClN5/c27-22-9-7-21(8-10-22)25-30-23(24(31-25)26-28-14-4-15-29-26)20-12-17-32(18-13-20)16-11-19-5-2-1-3-6-19/h1-10,14-15,20H,11-13,16-18H2,(H,30,31)
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US Patent
n/an/a 0.700n/an/an/an/a5.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was run in a 384-well microtiter plate at 37° C. with a total volume of 50 uL. Final assay concentrations were 0.13 nM human PrCP (CHO) or...


US Patent US9006268 (2015)


BindingDB Entry DOI: 10.7270/Q2J38R9S
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM155348
PNG
(US9006268, 19)
Show SMILES Fc1ccc(cc1)-c1nc(c(o1)C1CCN(CCc2ccccc2)CC1)-c1ncccn1
Show InChI InChI=1S/C26H25FN4O/c27-22-9-7-21(8-10-22)26-30-23(25-28-14-4-15-29-25)24(32-26)20-12-17-31(18-13-20)16-11-19-5-2-1-3-6-19/h1-10,14-15,20H,11-13,16-18H2
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n/an/a 0.780n/an/an/an/a5.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was run in a 384-well microtiter plate at 37° C. with a total volume of 50 uL. Final assay concentrations were 0.13 nM human PrCP (CHO) or...


US Patent US9006268 (2015)


BindingDB Entry DOI: 10.7270/Q2J38R9S
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM155351
PNG
(US9006268, 23)
Show SMILES Fc1ccc(cc1)-c1nc(c(s1)C1CCN(CCc2ccccc2)CC1)-c1ccccn1
Show InChI InChI=1S/C27H26FN3S/c28-23-11-9-22(10-12-23)27-30-25(24-8-4-5-16-29-24)26(32-27)21-14-18-31(19-15-21)17-13-20-6-2-1-3-7-20/h1-12,16,21H,13-15,17-19H2
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n/an/a 2.40n/an/an/an/a5.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was run in a 384-well microtiter plate at 37° C. with a total volume of 50 uL. Final assay concentrations were 0.13 nM human PrCP (CHO) or...


US Patent US9006268 (2015)


BindingDB Entry DOI: 10.7270/Q2J38R9S
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM155350
PNG
(US9006268, 22)
Show SMILES C(Cc1ccccc1)N1C[C@@H](CC[C@H]1c1ccccc1)c1[nH]c(nc1-c1ccccn1)-c1ccccc1 |r|
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n/an/a 4.40n/an/an/an/a5.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was run in a 384-well microtiter plate at 37° C. with a total volume of 50 uL. Final assay concentrations were 0.13 nM human PrCP (CHO) or...


US Patent US9006268 (2015)


BindingDB Entry DOI: 10.7270/Q2J38R9S
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM155354
PNG
(US9006268, 10)
Show SMILES Clc1ccc(cc1)-c1nc(c([nH]1)[C@@H]1CC[C@@H](NC1)c1ccccc1)-c1ncccn1 |r|
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n/an/a 8n/an/an/an/a5.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was run in a 384-well microtiter plate at 37° C. with a total volume of 50 uL. Final assay concentrations were 0.13 nM human PrCP (CHO) or...


US Patent US9006268 (2015)


BindingDB Entry DOI: 10.7270/Q2J38R9S
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM155345
PNG
(US9006268, 3)
Show SMILES C1C[C@@H](NC[C@H]1c1oc(nc1-c1ccncc1)-c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H23N3O/c1-3-7-18(8-4-1)22-12-11-21(17-27-22)24-23(19-13-15-26-16-14-19)28-25(29-24)20-9-5-2-6-10-20/h1-10,13-16,21-22,27H,11-12,17H2/t21-,22+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was run in a 384-well microtiter plate at 37° C. with a total volume of 50 uL. Final assay concentrations were 0.13 nM human PrCP (CHO) or...


US Patent US9006268 (2015)


BindingDB Entry DOI: 10.7270/Q2J38R9S
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM155352
PNG
(US9006268, 24)
Show SMILES Clc1ccc(cc1)-c1nc(c(s1)C1CCN(CCc2ccccc2)CC1)-c1ccccn1
Show InChI InChI=1S/C27H26ClN3S/c28-23-11-9-22(10-12-23)27-30-25(24-8-4-5-16-29-24)26(32-27)21-14-18-31(19-15-21)17-13-20-6-2-1-3-7-20/h1-12,16,21H,13-15,17-19H2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was run in a 384-well microtiter plate at 37° C. with a total volume of 50 uL. Final assay concentrations were 0.13 nM human PrCP (CHO) or...


US Patent US9006268 (2015)


BindingDB Entry DOI: 10.7270/Q2J38R9S
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM155353
PNG
(US9006268, 25)
Show SMILES C(Cc1ccccc1)N1CCC(CC1)c1sc(nc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C28H28N2S/c1-4-10-22(11-5-1)16-19-30-20-17-24(18-21-30)27-26(23-12-6-2-7-13-23)29-28(31-27)25-14-8-3-9-15-25/h1-15,24H,16-21H2
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was run in a 384-well microtiter plate at 37° C. with a total volume of 50 uL. Final assay concentrations were 0.13 nM human PrCP (CHO) or...


US Patent US9006268 (2015)


BindingDB Entry DOI: 10.7270/Q2J38R9S
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM155347
PNG
(US9006268, 11)
Show SMILES Clc1ccc(cc1)-c1nc(c([nH]1)[C@@H]1CC[C@H](NC1)c1ccccc1)-c1ncccn1 |r|
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was run in a 384-well microtiter plate at 37° C. with a total volume of 50 uL. Final assay concentrations were 0.13 nM human PrCP (CHO) or...


US Patent US9006268 (2015)


BindingDB Entry DOI: 10.7270/Q2J38R9S
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM155346
PNG
(US9006268, 9)
Show SMILES CC(=O)N1C[C@@H](CC[C@H]1c1ccccc1)c1[nH]c(nc1-c1ccccn1)-c1ccccc1 |r|
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n/an/a 554n/an/an/an/a5.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was run in a 384-well microtiter plate at 37° C. with a total volume of 50 uL. Final assay concentrations were 0.13 nM human PrCP (CHO) or...


US Patent US9006268 (2015)


BindingDB Entry DOI: 10.7270/Q2J38R9S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%