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Patent code US8507714

Compile Data Set for Download or QSAR
Found 18 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
Chymase


(Homo sapiens (Human))		BDBM100743
PNG
(US8507714, 67)
Show SMILES COc1cc(Cl)c(F)cc1CC1CNC(=O)CN(C1=O)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H17Cl2FN2O5S/c1-29-17-8-15(21)16(22)7-11(17)6-12-9-23-18(25)10-24(19(12)26)30(27,28)14-4-2-13(20)3-5-14/h2-5,7-8,12H,6,9-10H2,1H3,(H,23,25)
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n/an/a 19n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Inhibitory activity of the compounds for recombinant human chymase was measured by method of Pasztor et al. (Pasztor et al., Acta Biol. Hung. 42:285-...

US Patent US8507714 (2013)


BindingDB Entry DOI: 10.7270/Q2H130N8
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM100749
PNG
(US8507714, 214)
Show SMILES COC(=O)C[C@H]1N(C(=O)[C@@H](Cc2cc(F)ccc2OC)CNC1=O)S(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C22H22ClFN2O7S/c1-32-19-8-5-16(24)10-13(19)9-14-12-25-21(28)18(11-20(27)33-2)26(22(14)29)34(30,31)17-6-3-15(23)4-7-17/h3-8,10,14,18H,9,11-12H2,1-2H3,(H,25,28)/t14-,18+/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Inhibitory activity of the compounds for recombinant human chymase was measured by method of Pasztor et al. (Pasztor et al., Acta Biol. Hung. 42:285-...

US Patent US8507714 (2013)


BindingDB Entry DOI: 10.7270/Q2H130N8
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM100752
PNG
(US8507714, 269)
Show SMILES COC(=O)COc1ccc(Cl)cc1CC1CNC(=O)CN(C1=O)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H20Cl2N2O7S/c1-31-20(27)12-32-18-7-4-16(23)9-13(18)8-14-10-24-19(26)11-25(21(14)28)33(29,30)17-5-2-15(22)3-6-17/h2-7,9,14H,8,10-12H2,1H3,(H,24,26)
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n/an/a 24n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Inhibitory activity of the compounds for recombinant human chymase was measured by method of Pasztor et al. (Pasztor et al., Acta Biol. Hung. 42:285-...

US Patent US8507714 (2013)


BindingDB Entry DOI: 10.7270/Q2H130N8
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM100740
PNG
(CHEMBL391608 | US8507714, 29)
Show SMILES COc1ccc(Cl)cc1CC1CNC(=O)CN(C1=O)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H18Cl2N2O5S/c1-28-17-7-4-15(21)9-12(17)8-13-10-22-18(24)11-23(19(13)25)29(26,27)16-5-2-14(20)3-6-16/h2-7,9,13H,8,10-11H2,1H3,(H,22,24)
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n/an/a 34n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Inhibitory activity of the compounds for recombinant human chymase was measured by method of Pasztor et al. (Pasztor et al., Acta Biol. Hung. 42:285-...

US Patent US8507714 (2013)


BindingDB Entry DOI: 10.7270/Q2H130N8
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM100744
PNG
(US8507714, 90)
Show SMILES COc1ccc(Cl)cc1CC1CNC(=O)CN(C1=O)S(=O)(=O)c1ccc(Cl)c(N)c1
Show InChI InChI=1S/C19H19Cl2N3O5S/c1-29-17-5-2-13(20)7-11(17)6-12-9-23-18(25)10-24(19(12)26)30(27,28)14-3-4-15(21)16(22)8-14/h2-5,7-8,12H,6,9-10,22H2,1H3,(H,23,25)
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n/an/a 93n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Inhibitory activity of the compounds for recombinant human chymase was measured by method of Pasztor et al. (Pasztor et al., Acta Biol. Hung. 42:285-...

US Patent US8507714 (2013)


BindingDB Entry DOI: 10.7270/Q2H130N8
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM100746
PNG
(US8507714, 150 | US8507714, 277)
Show SMILES CC[C@@H](NC(=O)N1CC(=O)NC[C@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(O)=O)c(N)c1 |r|
Show InChI InChI=1S/C24H27ClN4O6/c1-3-19(13-4-6-17(23(32)33)18(26)10-13)28-24(34)29-12-21(30)27-11-15(22(29)31)8-14-9-16(25)5-7-20(14)35-2/h4-7,9-10,15,19H,3,8,11-12,26H2,1-2H3,(H,27,30)(H,28,34)(H,32,33)/t15-,19+/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Inhibitory activity of the compounds for recombinant human chymase was measured by method of Pasztor et al. (Pasztor et al., Acta Biol. Hung. 42:285-...

US Patent US8507714 (2013)


BindingDB Entry DOI: 10.7270/Q2H130N8
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM100746
PNG
(US8507714, 150 | US8507714, 277)
Show SMILES CC[C@@H](NC(=O)N1CC(=O)NC[C@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(O)=O)c(N)c1 |r|
Show InChI InChI=1S/C24H27ClN4O6/c1-3-19(13-4-6-17(23(32)33)18(26)10-13)28-24(34)29-12-21(30)27-11-15(22(29)31)8-14-9-16(25)5-7-20(14)35-2/h4-7,9-10,15,19H,3,8,11-12,26H2,1-2H3,(H,27,30)(H,28,34)(H,32,33)/t15-,19+/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Inhibitory activity of the compounds for recombinant human chymase was measured by method of Pasztor et al. (Pasztor et al., Acta Biol. Hung. 42:285-...

US Patent US8507714 (2013)


BindingDB Entry DOI: 10.7270/Q2H130N8
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM100739
PNG
(US8507714, 15)
Show SMILES COc1ccc(Cl)cc1\C=C1/CNC(=O)CN(C1=O)S(=O)(=O)c1cc(F)c(Cl)cc1OC
Show InChI InChI=1S/C20H17Cl2FN2O6S/c1-30-16-4-3-13(21)6-11(16)5-12-9-24-19(26)10-25(20(12)27)32(28,29)18-8-15(23)14(22)7-17(18)31-2/h3-8H,9-10H2,1-2H3,(H,24,26)/b12-5+
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n/an/a 160n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Inhibitory activity of the compounds for recombinant human chymase was measured by method of Pasztor et al. (Pasztor et al., Acta Biol. Hung. 42:285-...

US Patent US8507714 (2013)


BindingDB Entry DOI: 10.7270/Q2H130N8
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM100745
PNG
(US8507714, 91)
Show SMILES CC[C@@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1cccc(c1)C(O)=O |r|
Show InChI InChI=1S/C24H26ClN3O6/c1-3-19(14-5-4-6-15(9-14)23(31)32)27-24(33)28-13-21(29)26-12-17(22(28)30)10-16-11-18(25)7-8-20(16)34-2/h4-9,11,17,19H,3,10,12-13H2,1-2H3,(H,26,29)(H,27,33)(H,31,32)/t17-,19-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Inhibitory activity of the compounds for recombinant human chymase was measured by method of Pasztor et al. (Pasztor et al., Acta Biol. Hung. 42:285-...

US Patent US8507714 (2013)


BindingDB Entry DOI: 10.7270/Q2H130N8
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM100742
PNG
(US8507714, 61)
Show SMILES COc1ccc(Cl)cc1C[C@H]1CNC(=O)[C@@H](C)N(C1=O)S(=O)(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C20H20Cl2N2O5S/c1-12-19(25)23-11-14(9-13-10-16(22)5-8-18(13)29-2)20(26)24(12)30(27,28)17-6-3-15(21)4-7-17/h3-8,10,12,14H,9,11H2,1-2H3,(H,23,25)/t12-,14+/m1/s1
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n/an/a 260n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Inhibitory activity of the compounds for recombinant human chymase was measured by method of Pasztor et al. (Pasztor et al., Acta Biol. Hung. 42:285-...

US Patent US8507714 (2013)


BindingDB Entry DOI: 10.7270/Q2H130N8
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM100750
PNG
(CHEMBL2397003 | US8507714, 239)
Show SMILES CC[C@@H](NC(=O)N1CC(=O)NCC(Cc2cc(Cl)ccc2OC)C1=O)C(=O)Nc1nnn[nH]1 |r|
Show InChI InChI=1S/C19H23ClN8O5/c1-3-13(16(30)23-18-24-26-27-25-18)22-19(32)28-9-15(29)21-8-11(17(28)31)6-10-7-12(20)4-5-14(10)33-2/h4-5,7,11,13H,3,6,8-9H2,1-2H3,(H,21,29)(H,22,32)(H2,23,24,25,26,27,30)/t11?,13-/m1/s1
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n/an/a 260n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Inhibitory activity of the compounds for recombinant human chymase was measured by method of Pasztor et al. (Pasztor et al., Acta Biol. Hung. 42:285-...

US Patent US8507714 (2013)


BindingDB Entry DOI: 10.7270/Q2H130N8
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM2228
PNG
(US8507714, 178A)
Show SMILES CC[C@@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(O)=O)c(N)c1 |r|
Show InChI InChI=1S/C24H27ClN4O6/c1-3-19(13-4-6-17(23(32)33)18(26)10-13)28-24(34)29-12-21(30)27-11-15(22(29)31)8-14-9-16(25)5-7-20(14)35-2/h4-7,9-10,15,19H,3,8,11-12,26H2,1-2H3,(H,27,30)(H,28,34)(H,32,33)/t15-,19-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Inhibitory activity of the compounds for recombinant human chymase was measured by method of Pasztor et al. (Pasztor et al., Acta Biol. Hung. 42:285-...

US Patent US8507714 (2013)


BindingDB Entry DOI: 10.7270/Q2H130N8
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM100747
PNG
(CHEMBL2397007 | US8507714, 151)
Show SMILES CC[C@@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1cncc(c1)C(O)=O |r|
Show InChI InChI=1S/C23H25ClN4O6/c1-3-18(14-7-16(22(31)32)10-25-9-14)27-23(33)28-12-20(29)26-11-15(21(28)30)6-13-8-17(24)4-5-19(13)34-2/h4-5,7-10,15,18H,3,6,11-12H2,1-2H3,(H,26,29)(H,27,33)(H,31,32)/t15-,18-/m1/s1
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n/an/a 380n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Inhibitory activity of the compounds for recombinant human chymase was measured by method of Pasztor et al. (Pasztor et al., Acta Biol. Hung. 42:285-...

US Patent US8507714 (2013)


BindingDB Entry DOI: 10.7270/Q2H130N8
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM100741
PNG
(US8507714, 37)
Show SMILES Cc1cccc(CC2CNC(=O)CN(C2=O)S(=O)(=O)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C19H19ClN2O4S/c1-13-3-2-4-14(9-13)10-15-11-21-18(23)12-22(19(15)24)27(25,26)17-7-5-16(20)6-8-17/h2-9,15H,10-12H2,1H3,(H,21,23)
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n/an/a 390n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Inhibitory activity of the compounds for recombinant human chymase was measured by method of Pasztor et al. (Pasztor et al., Acta Biol. Hung. 42:285-...

US Patent US8507714 (2013)


BindingDB Entry DOI: 10.7270/Q2H130N8
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM100751
PNG
(US8507714, 263)
Show SMILES CC[C@@H](NC(=O)N1CC(=O)NCC(Cc2cc(Cl)ccc2OC)C1=O)C(=O)Nc1ccc(C)c(c1)C(O)=O |r|
Show InChI InChI=1S/C26H29ClN4O7/c1-4-20(23(33)29-18-7-5-14(2)19(11-18)25(35)36)30-26(37)31-13-22(32)28-12-16(24(31)34)9-15-10-17(27)6-8-21(15)38-3/h5-8,10-11,16,20H,4,9,12-13H2,1-3H3,(H,28,32)(H,29,33)(H,30,37)(H,35,36)/t16?,20-/m1/s1
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n/an/a 460n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Inhibitory activity of the compounds for recombinant human chymase was measured by method of Pasztor et al. (Pasztor et al., Acta Biol. Hung. 42:285-...

US Patent US8507714 (2013)


BindingDB Entry DOI: 10.7270/Q2H130N8
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM609
PNG
(US8507714, 4 | penicillin deriv. 23)
Show SMILES O=C1CN(C(=O)\C(CN1)=C\c1ccccc1)S(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C19H15N3O4S/c20-11-15-6-8-17(9-7-15)27(25,26)22-13-18(23)21-12-16(19(22)24)10-14-4-2-1-3-5-14/h1-10H,12-13H2,(H,21,23)/b16-10+
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n/an/a 1.10E+3n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Inhibitory activity of the compounds for recombinant human chymase was measured by method of Pasztor et al. (Pasztor et al., Acta Biol. Hung. 42:285-...

US Patent US8507714 (2013)


BindingDB Entry DOI: 10.7270/Q2H130N8
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM100753
PNG
(US8507714, 272)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CC(=O)N(CC(=O)NCc2ccccc2)CC(Cc2ccccc2)C1=O
Show InChI InChI=1S/C27H26ClN3O5S/c28-23-11-13-24(14-12-23)37(35,36)31-19-26(33)30(18-25(32)29-16-21-9-5-2-6-10-21)17-22(27(31)34)15-20-7-3-1-4-8-20/h1-14,22H,15-19H2,(H,29,32)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Inhibitory activity of the compounds for recombinant human chymase was measured by method of Pasztor et al. (Pasztor et al., Acta Biol. Hung. 42:285-...

US Patent US8507714 (2013)


BindingDB Entry DOI: 10.7270/Q2H130N8
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))		BDBM100754
PNG
(US8507714, 285)
Show SMILES COc1ccc(Cl)cc1CC1CNC(=O)CN(C(=O)Nc2cccc(NC(C)=O)c2)C1=O
Show InChI InChI=1S/C22H23ClN4O5/c1-13(28)25-17-4-3-5-18(10-17)26-22(31)27-12-20(29)24-11-15(21(27)30)8-14-9-16(23)6-7-19(14)32-2/h3-7,9-10,15H,8,11-12H2,1-2H3,(H,24,29)(H,25,28)(H,26,31)
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n/an/a 4.70E+3n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Inhibitory activity of the compounds for recombinant human chymase was measured by method of Pasztor et al. (Pasztor et al., Acta Biol. Hung. 42:285-...

US Patent US8507714 (2013)


BindingDB Entry DOI: 10.7270/Q2H130N8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%