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Patent code US8785634

Compile Data Set for Download or QSAR
Found 9 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))		BDBM50364687
PNG
(CHEMBL1951476 | US8785634, 8)
Show SMILES CC(C)(N1CCC2(CC1)OC(c1cccnc21)c1cc(Cl)ccn1)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H25ClF3N3O2/c1-24(2,17-5-7-19(8-6-17)34-26(28,29)30)33-14-10-25(11-15-33)23-20(4-3-12-32-23)22(35-25)21-16-18(27)9-13-31-21/h3-9,12-13,16,22H,10-11,14-15H2,1-2H3
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n/an/a 0.490n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
The potency of compounds of formula I against PrCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PrCP inhibit...

US Patent US8785634 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HRS
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))		BDBM50364676
PNG
(CHEMBL1951465 | US8785634, 1)
Show SMILES FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2ccccc32)c2cc(Cl)ccn2)cc1
Show InChI InChI=1S/C25H22ClF3N2O2/c26-18-9-12-30-22(15-18)23-20-3-1-2-4-21(20)24(33-23)10-13-31(14-11-24)16-17-5-7-19(8-6-17)32-25(27,28)29/h1-9,12,15,23H,10-11,13-14,16H2
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n/an/a 0.660n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
The potency of compounds of formula I against PrCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PrCP inhibit...

US Patent US8785634 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HRS
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))		BDBM50364679
PNG
(CHEMBL1951468 | US8785634, 2)
Show SMILES [O-][n+]1ccc(Cl)cc1C1OC2(CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)c2ccccc12
Show InChI InChI=1S/C25H22ClF3N2O3/c26-18-9-12-31(32)22(15-18)23-20-3-1-2-4-21(20)24(34-23)10-13-30(14-11-24)16-17-5-7-19(8-6-17)33-25(27,28)29/h1-9,12,15,23H,10-11,13-14,16H2
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n/an/a 1.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
The potency of compounds of formula I against PrCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PrCP inhibit...

US Patent US8785634 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HRS
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))		BDBM50364682
PNG
(CHEMBL1951471 | US8785634, 82)
Show SMILES FC(F)(F)Oc1ccc(cc1)S(=O)(=O)N1CCC2(CC1)OC(c1cccnc21)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C24H19Cl2F3N2O4S/c25-16-12-15(13-17(26)14-16)21-20-2-1-9-30-22(20)23(35-21)7-10-31(11-8-23)36(32,33)19-5-3-18(4-6-19)34-24(27,28)29/h1-6,9,12-14,21H,7-8,10-11H2
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n/an/a 1.60n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
The potency of compounds of formula I against PrCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PrCP inhibit...

US Patent US8785634 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HRS
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))		BDBM50364672
PNG
(CHEMBL1951461 | US8785634, 3)
Show SMILES FC(F)(F)Oc1ccc(CN2CCC3(CC2)OC(c2cccnc32)c2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C25H21Cl2F3N2O2/c26-18-12-17(13-19(27)14-18)22-21-2-1-9-31-23(21)24(34-22)7-10-32(11-8-24)15-16-3-5-20(6-4-16)33-25(28,29)30/h1-6,9,12-14,22H,7-8,10-11,15H2
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n/an/a 5.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
The potency of compounds of formula I against PrCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PrCP inhibit...

US Patent US8785634 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HRS
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))		BDBM126716
PNG
(US8785634, 86)
Show SMILES FC(F)(F)Oc1ccc(cc1)S(=O)(=O)N1CCC2(CC1)OC(c1ccccc21)c1ccccn1
Show InChI InChI=1S/C24H21F3N2O4S/c25-24(26,27)32-17-8-10-18(11-9-17)34(30,31)29-15-12-23(13-16-29)20-6-2-1-5-19(20)22(33-23)21-7-3-4-14-28-21/h1-11,14,22H,12-13,15-16H2
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n/an/a 7.80n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
The potency of compounds of formula I against PrCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PrCP inhibit...

US Patent US8785634 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HRS
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))		BDBM126715
PNG
(US8785634, 21)
Show SMILES OC(=O)C(N1CCC2(CC1)OC(c1cccnc21)c1cc(Cl)cc(Cl)c1)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H21Cl2F3N2O4/c27-17-12-16(13-18(28)14-17)22-20-2-1-9-32-23(20)25(37-22)7-10-33(11-8-25)21(24(34)35)15-3-5-19(6-4-15)36-26(29,30)31/h1-6,9,12-14,21-22H,7-8,10-11H2,(H,34,35)
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n/an/a 65n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
The potency of compounds of formula I against PrCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PrCP inhibit...

US Patent US8785634 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HRS
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))		BDBM126713
PNG
(US8785634, 9)
Show SMILES Clc1cc(Cl)cc(c1)C1OC2(CCN(Cc3ccc(nc3)N3CCCC3)CC2)c2ncccc12
Show InChI InChI=1S/C27H28Cl2N4O/c28-21-14-20(15-22(29)16-21)25-23-4-3-9-30-26(23)27(34-25)7-12-32(13-8-27)18-19-5-6-24(31-17-19)33-10-1-2-11-33/h3-6,9,14-17,25H,1-2,7-8,10-13,18H2
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n/an/a 89n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
The potency of compounds of formula I against PrCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PrCP inhibit...

US Patent US8785634 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HRS
More data for this
Ligand-Target Pair
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))		BDBM126714
PNG
(US8785634, 69)
Show SMILES CN1CCN(CC1)c1ccc(CN2CCC3(CC2)OC(c2ccccc32)c2cc(Cl)cc(Cl)c2)nc1
Show InChI InChI=1S/C29H32Cl2N4O/c1-33-12-14-35(15-13-33)25-7-6-24(32-19-25)20-34-10-8-29(9-11-34)27-5-3-2-4-26(27)28(36-29)21-16-22(30)18-23(31)17-21/h2-7,16-19,28H,8-15,20H2,1H3
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n/an/a 235n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
The potency of compounds of formula I against PrCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PrCP inhibit...

US Patent US8785634 (2014)


BindingDB Entry DOI: 10.7270/Q2HH6HRS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%