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Compile Data Set for Download or QSAR

Found 29 hits from Daiichi Sankyo Company, Ltd.   
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
Chymase


(Homo sapiens (human))
BDBM134267
PNG
(US8846660, 41)
Show SMILES COc1ccc(Cl)cc1CC1CN\C(CN(C(=O)N[C@H](C)c2ccc(CC(O)=O)cc2)C1=O)=N/Oc1cc(F)cc(F)c1
Show InChI InChI=1S/C30H29ClF2N4O6/c1-17(19-5-3-18(4-6-19)9-28(38)39)35-30(41)37-16-27(36-43-25-13-23(32)12-24(33)14-25)34-15-21(29(37)40)10-20-11-22(31)7-8-26(20)42-2/h3-8,11-14,17,21H,9-10,15-16H2,1-2H3,(H,34,36)(H,35,41)(H,38,39)/t17-,21?/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134262
PNG
(US8846660, 30)
Show SMILES COc1ccc(Cl)cc1CC1CN\C(CN(C(=O)N[C@H](C)c2ccc(C(O)=O)c(N)c2)C1=O)=N/Oc1cc(F)cc(F)c1
Show InChI InChI=1S/C29H28ClF2N5O6/c1-15(16-3-5-23(28(39)40)24(33)9-16)35-29(41)37-14-26(36-43-22-11-20(31)10-21(32)12-22)34-13-18(27(37)38)7-17-8-19(30)4-6-25(17)42-2/h3-6,8-12,15,18H,7,13-14,33H2,1-2H3,(H,34,36)(H,35,41)(H,39,40)/t15-,18?/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134278
PNG
(US8846660, 96)
Show SMILES CCC[C@@H](NC(=O)N1CC2=NOCC(=O)N2CC(Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(O)=O)c(N)c1
Show InChI InChI=1S/C27H30ClN5O7/c1-3-4-21(15-5-7-19(26(36)37)20(29)11-15)30-27(38)33-13-23-31-40-14-24(34)32(23)12-17(25(33)35)9-16-10-18(28)6-8-22(16)39-2/h5-8,10-11,17,21H,3-4,9,12-14,29H2,1-2H3,(H,30,38)(H,36,37)/t17?,21-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134276
PNG
(US8846660, 76)
Show SMILES CC[C@@H](NC(=O)N1C\C(NCC(Cc2cc(Cl)ccc2OC)C1=O)=N\Oc1ccccc1)c1ccc(C(O)=O)c(N)c1
Show InChI InChI=1S/C30H32ClN5O6/c1-3-25(18-9-11-23(29(38)39)24(32)15-18)34-30(40)36-17-27(35-42-22-7-5-4-6-8-22)33-16-20(28(36)37)13-19-14-21(31)10-12-26(19)41-2/h4-12,14-15,20,25H,3,13,16-17,32H2,1-2H3,(H,33,35)(H,34,40)(H,38,39)/t20?,25-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134261
PNG
(US8846660, 29)
Show SMILES COc1ccc(Cl)cc1CC1CN\C(CN(C(=O)N[C@H](C)c2ccc(C(O)=O)c(N)c2)C1=O)=N/Oc1ccc(F)cc1
Show InChI InChI=1S/C29H29ClFN5O6/c1-16(17-3-9-23(28(38)39)24(32)13-17)34-29(40)36-15-26(35-42-22-7-5-21(31)6-8-22)33-14-19(27(36)37)11-18-12-20(30)4-10-25(18)41-2/h3-10,12-13,16,19H,11,14-15,32H2,1-2H3,(H,33,35)(H,34,40)(H,38,39)/t16-,19?/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134266
PNG
(US8846660, 40)
Show SMILES COc1ccc(Cl)cc1CC1CN\C(CN(C(=O)N[C@H](C)c2ccc(CC(O)=O)cc2)C1=O)=N/Oc1ccc(F)cc1
Show InChI InChI=1S/C30H30ClFN4O6/c1-18(20-5-3-19(4-6-20)13-28(37)38)34-30(40)36-17-27(35-42-25-10-8-24(32)9-11-25)33-16-22(29(36)39)14-21-15-23(31)7-12-26(21)41-2/h3-12,15,18,22H,13-14,16-17H2,1-2H3,(H,33,35)(H,34,40)(H,37,38)/t18-,22?/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134263
PNG
(US8846660, 31)
Show SMILES COc1ccc(Cl)cc1CC1CN\C(CN(C(=O)N[C@H](C)c2ccc(C(O)=O)c(N)c2)C1=O)=N/Oc1ccccn1
Show InChI InChI=1S/C28H29ClN6O6/c1-16(17-6-8-21(27(37)38)22(30)13-17)33-28(39)35-15-24(34-41-25-5-3-4-10-31-25)32-14-19(26(35)36)11-18-12-20(29)7-9-23(18)40-2/h3-10,12-13,16,19H,11,14-15,30H2,1-2H3,(H,32,34)(H,33,39)(H,37,38)/t16-,19?/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134260
PNG
(US8846660, 27)
Show SMILES COc1ccc(Cl)cc1CC1CN\C(CN(C(=O)N[C@H](C)c2ccc(cc2)C(O)=O)C1=O)=N/Oc1cc(F)cc(F)c1
Show InChI InChI=1S/C29H27ClF2N4O6/c1-16(17-3-5-18(6-4-17)28(38)39)34-29(40)36-15-26(35-42-24-12-22(31)11-23(32)13-24)33-14-20(27(36)37)9-19-10-21(30)7-8-25(19)41-2/h3-8,10-13,16,20H,9,14-15H2,1-2H3,(H,33,35)(H,34,40)(H,38,39)/t16-,20?/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134256
PNG
(US8846660, 18)
Show SMILES CCC[C@@H](NC(=O)N1C\C(NCC(Cc2cc(Cl)ccc2OC)C1=O)=N\OCCO)c1ccc(C(O)=O)c(N)c1
Show InChI InChI=1S/C27H34ClN5O7/c1-3-4-22(16-5-7-20(26(36)37)21(29)13-16)31-27(38)33-15-24(32-40-10-9-34)30-14-18(25(33)35)11-17-12-19(28)6-8-23(17)39-2/h5-8,12-13,18,22,34H,3-4,9-11,14-15,29H2,1-2H3,(H,30,32)(H,31,38)(H,36,37)/t18?,22-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134253
PNG
(US8846660, 103 | US8846660, 12)
Show SMILES CCC[C@@H](NC(=O)N1C\C(NCC(Cc2cc(Cl)ccc2OC)C1=O)=N\OCC)c1ccc(C(O)=O)c(N)c1
Show InChI InChI=1S/C27H34ClN5O6/c1-4-6-22(16-7-9-20(26(35)36)21(29)13-16)31-27(37)33-15-24(32-39-5-2)30-14-18(25(33)34)11-17-12-19(28)8-10-23(17)38-3/h7-10,12-13,18,22H,4-6,11,14-15,29H2,1-3H3,(H,30,32)(H,31,37)(H,35,36)/t18?,22-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134272
PNG
(US8846660, 58)
Show SMILES CC[C@@H](NC(=O)N1C\C(NCC(Cc2cc(Cl)ccc2OC)C1=O)=N\Oc1ccccc1)C(=O)Nc1nnn[nH]1
Show InChI InChI=1S/C25H28ClN9O5/c1-3-19(22(36)29-24-30-33-34-31-24)28-25(38)35-14-21(32-40-18-7-5-4-6-8-18)27-13-16(23(35)37)11-15-12-17(26)9-10-20(15)39-2/h4-10,12,16,19H,3,11,13-14H2,1-2H3,(H,27,32)(H,28,38)(H2,29,30,31,33,34,36)/t16?,19-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134269
PNG
(US8846660, 44)
Show SMILES CC[C@@H](NC(=O)N1C\C(NCC(Cc2cc(Cl)ccc2OC)C1=O)=N\Oc1cc(F)cc(F)c1)c1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C30H29ClF2N4O7/c1-3-24(16-4-6-23(29(40)41)25(38)10-16)35-30(42)37-15-27(36-44-22-12-20(32)11-21(33)13-22)34-14-18(28(37)39)8-17-9-19(31)5-7-26(17)43-2/h4-7,9-13,18,24,38H,3,8,14-15H2,1-2H3,(H,34,36)(H,35,42)(H,40,41)/t18?,24-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134268
PNG
(US8846660, 42)
Show SMILES COc1ccc(Cl)cc1CC1CN\C(CN(C(=O)N[C@H](C)c2ccc(CC(O)=O)cc2)C1=O)=N/Oc1ccccn1
Show InChI InChI=1S/C29H30ClN5O6/c1-18(20-8-6-19(7-9-20)13-27(36)37)33-29(39)35-17-25(34-41-26-5-3-4-12-31-26)32-16-22(28(35)38)14-21-15-23(30)10-11-24(21)40-2/h3-12,15,18,22H,13-14,16-17H2,1-2H3,(H,32,34)(H,33,39)(H,36,37)/t18-,22?/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134255
PNG
(US8846660, 15)
Show SMILES CCC[C@@H](NC(=O)N1C\C(NCC(Cc2cc(Cl)ccc2OC)C1=O)=N\OC(C)C)c1ccc(C(O)=O)c(N)c1
Show InChI InChI=1S/C28H36ClN5O6/c1-5-6-23(17-7-9-21(27(36)37)22(30)13-17)32-28(38)34-15-25(33-40-16(2)3)31-14-19(26(34)35)11-18-12-20(29)8-10-24(18)39-4/h7-10,12-13,16,19,23H,5-6,11,14-15,30H2,1-4H3,(H,31,33)(H,32,38)(H,36,37)/t19?,23-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134257
PNG
(US8846660, 20)
Show SMILES CCC[C@@H](NC(=O)N1C\C(NCC(Cc2cc(Cl)ccc2OC)C1=O)=N\OCC(F)(F)F)c1ccc(C(O)=O)c(N)c1
Show InChI InChI=1S/C27H31ClF3N5O6/c1-3-4-21(15-5-7-19(25(38)39)20(32)11-15)34-26(40)36-13-23(35-42-14-27(29,30)31)33-12-17(24(36)37)9-16-10-18(28)6-8-22(16)41-2/h5-8,10-11,17,21H,3-4,9,12-14,32H2,1-2H3,(H,33,35)(H,34,40)(H,38,39)/t17?,21-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134264
PNG
(US8846660, 34)
Show SMILES CCC[C@@H](NC(=O)N1C\C(=N\OC)N(C)CC(Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(O)=O)c(N)c1
Show InChI InChI=1S/C27H34ClN5O6/c1-5-6-22(16-7-9-20(26(35)36)21(29)13-16)30-27(37)33-15-24(31-39-4)32(2)14-18(25(33)34)11-17-12-19(28)8-10-23(17)38-3/h7-10,12-13,18,22H,5-6,11,14-15,29H2,1-4H3,(H,30,37)(H,35,36)/b31-24-/t18?,22-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134275
PNG
(US8846660, 73)
Show SMILES CC[C@@H](NC(=O)N1C\C(NCC(Cc2cc(Cl)ccc2OC)C1=O)=N\Oc1ccccc1)c1cccc(c1)C(O)=O
Show InChI InChI=1S/C30H31ClN4O6/c1-3-25(19-8-7-9-20(14-19)29(37)38)33-30(39)35-18-27(34-41-24-10-5-4-6-11-24)32-17-22(28(35)36)15-21-16-23(31)12-13-26(21)40-2/h4-14,16,22,25H,3,15,17-18H2,1-2H3,(H,32,34)(H,33,39)(H,37,38)/t22?,25-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134273
PNG
(US8846660, 64)
Show SMILES CC[C@@H](NC(=O)N1C\C(NCC(Cc2cc(Cl)ccc2OC)C1=O)=N\Oc1ccccc1)c1ccc(CC(O)=O)cc1
Show InChI InChI=1S/C31H33ClN4O6/c1-3-26(21-11-9-20(10-12-21)15-29(37)38)34-31(40)36-19-28(35-42-25-7-5-4-6-8-25)33-18-23(30(36)39)16-22-17-24(32)13-14-27(22)41-2/h4-14,17,23,26H,3,15-16,18-19H2,1-2H3,(H,33,35)(H,34,40)(H,37,38)/t23?,26-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134280
PNG
(US8846660, 108)
Show SMILES CCC[C@@H](NC(=O)N1C\C(NCC(Cc2cc(F)ccc2OC)C1=O)=N\OCC)c1ccc(C(O)=O)c(N)c1
Show InChI InChI=1S/C27H34FN5O6/c1-4-6-22(16-7-9-20(26(35)36)21(29)13-16)31-27(37)33-15-24(32-39-5-2)30-14-18(25(33)34)11-17-12-19(28)8-10-23(17)38-3/h7-10,12-13,18,22H,4-6,11,14-15,29H2,1-3H3,(H,30,32)(H,31,37)(H,35,36)/t18?,22-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134270
PNG
(US8846660, 49)
Show SMILES CC[C@@H](NC(=O)N1C\C(NCC(Cc2cc(Cl)ccc2OC)C1=O)=N\Oc1ccccc1)c1cncc(c1)C(O)=O
Show InChI InChI=1S/C29H30ClN5O6/c1-3-24(19-12-21(28(37)38)15-31-14-19)33-29(39)35-17-26(34-41-23-7-5-4-6-8-23)32-16-20(27(35)36)11-18-13-22(30)9-10-25(18)40-2/h4-10,12-15,20,24H,3,11,16-17H2,1-2H3,(H,32,34)(H,33,39)(H,37,38)/t20?,24-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134254
PNG
(US8846660, 14)
Show SMILES CCC[C@@H](NC(=O)N1C\C(NCC(Cc2cc(Cl)ccc2OC)C1=O)=N\O)c1ccc(C(O)=O)c(N)c1
Show InChI InChI=1S/C25H30ClN5O6/c1-3-4-20(14-5-7-18(24(33)34)19(27)11-14)29-25(35)31-13-22(30-36)28-12-16(23(31)32)9-15-10-17(26)6-8-21(15)37-2/h5-8,10-11,16,20,36H,3-4,9,12-13,27H2,1-2H3,(H,28,30)(H,29,35)(H,33,34)/t16?,20-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134252
PNG
(US8846660, 3)
Show SMILES CC[C@@H](NC(=O)N1C\C(NCC(Cc2cc(Cl)ccc2OC)C1=O)=N\Oc1ccccn1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H30ClN5O6/c1-3-23(18-7-9-19(10-8-18)28(37)38)33-29(39)35-17-25(34-41-26-6-4-5-13-31-26)32-16-21(27(35)36)14-20-15-22(30)11-12-24(20)40-2/h4-13,15,21,23H,3,14,16-17H2,1-2H3,(H,32,34)(H,33,39)(H,37,38)/t21?,23-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134271
PNG
(US8846660, 53)
Show SMILES COc1ccc(Cl)cc1CC1CN\C(CN(C(=O)NCc2ccc(C(O)=O)c(N)c2)C1=O)=N/Oc1cc(F)cc(F)c1
Show InChI InChI=1S/C28H26ClF2N5O6/c1-41-24-5-3-18(29)8-16(24)7-17-13-33-25(35-42-21-10-19(30)9-20(31)11-21)14-36(26(17)37)28(40)34-12-15-2-4-22(27(38)39)23(32)6-15/h2-6,8-11,17H,7,12-14,32H2,1H3,(H,33,35)(H,34,40)(H,38,39)
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n/an/a 40n/an/an/an/an/an/a



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134281
PNG
(US8846660, 113)
Show SMILES CCC[C@@H](NC(=O)N1C\C(NCC(Cc2cc(Cl)ccc2F)C1=O)=N\OCC)c1ccc(C(O)=O)c(N)c1
Show InChI InChI=1S/C26H31ClFN5O5/c1-3-5-22(15-6-8-19(25(35)36)21(29)12-15)31-26(37)33-14-23(32-38-4-2)30-13-17(24(33)34)10-16-11-18(27)7-9-20(16)28/h6-9,11-12,17,22H,3-5,10,13-14,29H2,1-2H3,(H,30,32)(H,31,37)(H,35,36)/t17?,22-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134258
PNG
(US8846660, 22)
Show SMILES CCC[C@@H](NC(=O)N1C\C(NCC(Cc2cc(Cl)ccc2OC)C1=O)=N\N(C)C)c1ccc(C(O)=O)c(N)c1
Show InChI InChI=1S/C27H35ClN6O5/c1-5-6-22(16-7-9-20(26(36)37)21(29)13-16)31-27(38)34-15-24(32-33(2)3)30-14-18(25(34)35)11-17-12-19(28)8-10-23(17)39-4/h7-10,12-13,18,22H,5-6,11,14-15,29H2,1-4H3,(H,30,32)(H,31,38)(H,36,37)/t18?,22-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134274
PNG
(US8846660, 67)
Show SMILES CC[C@@H](NC(=O)N1C\C(NCC(Cc2cc(Cl)ccc2OC)C1=O)=N\Oc1ccccc1)c1nc(cs1)C(O)=O
Show InChI InChI=1S/C27H28ClN5O6S/c1-3-20(24-30-21(15-40-24)26(35)36)31-27(37)33-14-23(32-39-19-7-5-4-6-8-19)29-13-17(25(33)34)11-16-12-18(28)9-10-22(16)38-2/h4-10,12,15,17,20H,3,11,13-14H2,1-2H3,(H,29,32)(H,31,37)(H,35,36)/t17?,20-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134259
PNG
(US8846660, 26)
Show SMILES COc1ccc(Cl)cc1CC1CN\C(CN(C(=O)N[C@H](C)c2ccc(cc2)C(O)=O)C1=O)=N/Oc1ccc(F)cc1
Show InChI InChI=1S/C29H28ClFN4O6/c1-17(18-3-5-19(6-4-18)28(37)38)33-29(39)35-16-26(34-41-24-10-8-23(31)9-11-24)32-15-21(27(35)36)13-20-14-22(30)7-12-25(20)40-2/h3-12,14,17,21H,13,15-16H2,1-2H3,(H,32,34)(H,33,39)(H,37,38)/t17-,21?/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134265
PNG
(US8846660, 37)
Show SMILES CC[C@@H](NC(=O)N1C\C(NCC(Cc2cc(Cl)ccc2OC)C1=O)=N\Oc1ccccc1)c1ccc(s1)C(O)=O
Show InChI InChI=1S/C28H29ClN4O6S/c1-3-21(23-11-12-24(40-23)27(35)36)31-28(37)33-16-25(32-39-20-7-5-4-6-8-20)30-15-18(26(33)34)13-17-14-19(29)9-10-22(17)38-2/h4-12,14,18,21H,3,13,15-16H2,1-2H3,(H,30,32)(H,31,37)(H,35,36)/t18?,21-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM134277
PNG
(US8846660, 88)
Show SMILES CC[C@@H](NC(=O)N1Cc2nnc(O)n2CC(Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(O)=O)c(N)c1
Show InChI InChI=1S/C25H27ClN6O6/c1-3-19(13-4-6-17(23(34)35)18(27)10-13)28-24(36)32-12-21-29-30-25(37)31(21)11-15(22(32)33)8-14-9-16(26)5-7-20(14)38-2/h4-7,9-10,15,19H,3,8,11-12,27H2,1-2H3,(H,28,36)(H,30,37)(H,34,35)/t15?,19-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Daiichi Sankyo Company, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention for recombinant human chymase was measured by the method of Pasztor et al. (Pasztor...


US Patent US8846660 (2014)


BindingDB Entry DOI: 10.7270/Q22V2DTB
More data for this
Ligand-Target Pair