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Compile Data Set for Download or QSAR

Found 62 hits of ki data for polymerid = 5817   
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
Kininogen-1


(Homo sapiens (Human))
BDBM107177
PNG
(US8592426, 26)
Show SMILES COc1ncc(cn1)C(=O)NC1(CC1)C(=O)N[C@H]1CCc2cc(ccc12)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r|
Show InChI InChI=1S/C28H24ClFN6O4/c1-14-33-24(36-40-14)23-20(10-18(29)11-21(23)30)16-3-5-19-15(9-16)4-6-22(19)34-26(38)28(7-8-28)35-25(37)17-12-31-27(39-2)32-13-17/h3,5,9-13,22H,4,6-8H2,1-2H3,(H,34,38)(H,35,37)/t22-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107189
PNG
(US8592426, 38)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)NC1CCc2cc(cnc12)-c1cc(Cl)cc(F)c1-c1noc(C)n1
Show InChI InChI=1S/C26H22ClFN6O5/c1-12-30-23(34-38-12)21-16(8-15(27)9-17(21)28)14-7-13-3-4-18(22(13)29-11-14)31-25(36)26(5-6-26)32-24(35)19-10-20(37-2)33-39-19/h7-11,18H,3-6H2,1-2H3,(H,31,36)(H,32,35)
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3n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107176
PNG
(US8592426, 25)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1ccc2[C@H](CCc2c1)NC(=O)C1(CC1)NC(=O)c1cncnc1 |r|
Show InChI InChI=1S/C27H22ClFN6O3/c1-14-32-24(35-38-14)23-20(9-18(28)10-21(23)29)16-2-4-19-15(8-16)3-5-22(19)33-26(37)27(6-7-27)34-25(36)17-11-30-13-31-12-17/h2,4,8-13,22H,3,5-7H2,1H3,(H,33,37)(H,34,36)/t22-/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107209
PNG
(US8592426, 59)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)NC1CCc2cc(cnc12)-c1cc(Cl)cc(F)c1-c1nnn(C)n1
Show InChI InChI=1S/C25H22ClFN8O4/c1-35-32-22(31-34-35)20-15(8-14(26)9-16(20)27)13-7-12-3-4-17(21(12)28-11-13)29-24(37)25(5-6-25)30-23(36)18-10-19(38-2)33-39-18/h7-11,17H,3-6H2,1-2H3,(H,29,37)(H,30,36)
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3.5n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107178
PNG
(US8592426, 27)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1ccc2[C@H](CCc2c1)NC(=O)C1(CC1)NC(=O)c1ccnnc1 |r|
Show InChI InChI=1S/C27H22ClFN6O3/c1-14-32-24(35-38-14)23-20(11-18(28)12-21(23)29)16-2-4-19-15(10-16)3-5-22(19)33-26(37)27(7-8-27)34-25(36)17-6-9-30-31-13-17/h2,4,6,9-13,22H,3,5,7-8H2,1H3,(H,33,37)(H,34,36)/t22-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107203
PNG
(US8592426, 53)
Show SMILES COc1cc(on1)C(=O)NC1(COC1)C(=O)N[C@H]1CCc2cc(ccc12)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r|
Show InChI InChI=1S/C27H23ClFN5O6/c1-13-30-24(34-39-13)23-18(8-16(28)9-19(23)29)15-3-5-17-14(7-15)4-6-20(17)31-26(36)27(11-38-12-27)32-25(35)21-10-22(37-2)33-40-21/h3,5,7-10,20H,4,6,11-12H2,1-2H3,(H,31,36)(H,32,35)/t20-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107181
PNG
(US8592426, 30)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)N[C@H]1CCc2cc(ccc12)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r|
Show InChI InChI=1S/C27H23ClFN5O5/c1-13-30-24(34-38-13)23-18(10-16(28)11-19(23)29)15-3-5-17-14(9-15)4-6-20(17)31-26(36)27(7-8-27)32-25(35)21-12-22(37-2)33-39-21/h3,5,9-12,20H,4,6-8H2,1-2H3,(H,31,36)(H,32,35)/t20-/m0/s1
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3.90n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107190
PNG
(US8592426, 116 | US8592426, 117 | US8592426, 39/40...)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1cnc2C(CCc2c1)NC(=O)C1(CC1)NC(=O)c1ccnnc1
Show InChI InChI=1S/C26H21ClFN7O3/c1-13-32-23(35-38-13)21-18(9-17(27)10-19(21)28)16-8-14-2-3-20(22(14)29-11-16)33-25(37)26(5-6-26)34-24(36)15-4-7-30-31-12-15/h4,7-12,20H,2-3,5-6H2,1H3,(H,33,37)(H,34,36)
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4n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107193
PNG
(US8592426, 42)
Show SMILES COc1ncc(cn1)C(=O)NC1(CC1)C(=O)NC1CCc2cc(cnc12)-c1cc(Cl)cc(F)c1-c1noc(C)n1
Show InChI InChI=1S/C27H23ClFN7O4/c1-13-33-23(36-40-13)21-18(8-17(28)9-19(21)29)15-7-14-3-4-20(22(14)30-10-15)34-25(38)27(5-6-27)35-24(37)16-11-31-26(39-2)32-12-16/h7-12,20H,3-6H2,1-2H3,(H,34,38)(H,35,37)
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4n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107179
PNG
(US8592426, 28)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1ccc2[C@H](CCc2c1)NC(=O)C1(CC1)NC(=O)c1ccno1 |r|
Show InChI InChI=1S/C26H21ClFN5O4/c1-13-30-23(33-36-13)22-18(11-16(27)12-19(22)28)15-2-4-17-14(10-15)3-5-20(17)31-25(35)26(7-8-26)32-24(34)21-6-9-29-37-21/h2,4,6,9-12,20H,3,5,7-8H2,1H3,(H,31,35)(H,32,34)/t20-/m0/s1
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4.10n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107163
PNG
(US8592426, 12)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1cnc2C(CCc2c1)NC(=O)C1(CC1)NC(=O)C(F)(F)F
Show InChI InChI=1S/C23H18ClF4N5O3/c1-10-30-19(33-36-10)17-14(7-13(24)8-15(17)25)12-6-11-2-3-16(18(11)29-9-12)31-20(34)22(4-5-22)32-21(35)23(26,27)28/h6-9,16H,2-5H2,1H3,(H,31,34)(H,32,35)
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4.40n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107214
PNG
(US8592426, 65)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)NC1CSc2cc(ccc12)-c1cc(Cl)cc(F)c1-c1nnn(C)n1
Show InChI InChI=1S/C25H21ClFN7O4S/c1-34-31-22(30-33-34)21-15(8-13(26)9-16(21)27)12-3-4-14-17(11-39-19(14)7-12)28-24(36)25(5-6-25)29-23(35)18-10-20(37-2)32-38-18/h3-4,7-10,17H,5-6,11H2,1-2H3,(H,28,36)(H,29,35)
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4.40n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107206
PNG
(US8592426, 56)
Show SMILES COc1ncc(cn1)C(=O)NC1(CC1)C(=O)NC1CCc2cc(cnc12)-c1cc(Cl)cc(F)c1-c1nnn(C)n1
Show InChI InChI=1S/C26H23ClFN9O3/c1-37-35-22(34-36-37)20-17(8-16(27)9-18(20)28)14-7-13-3-4-19(21(13)29-10-14)32-24(39)26(5-6-26)33-23(38)15-11-30-25(40-2)31-12-15/h7-12,19H,3-6H2,1-2H3,(H,32,39)(H,33,38)
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4.5n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107200
PNG
(US8592426, 50)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1ccc2[C@H](CCc2c1)NC(=O)C1(COC1)NC(=O)c1cncnc1 |r|
Show InChI InChI=1S/C27H22ClFN6O4/c1-14-32-24(35-39-14)23-20(7-18(28)8-21(23)29)16-2-4-19-15(6-16)3-5-22(19)33-26(37)27(11-38-12-27)34-25(36)17-9-30-13-31-10-17/h2,4,6-10,13,22H,3,5,11-12H2,1H3,(H,33,37)(H,34,36)/t22-/m0/s1
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4.80n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107212
PNG
(US8592426, 63)
Show SMILES Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1ccc2C(CSc2c1)NC(=O)C1(CC1)NC(=O)c1cncnc1
Show InChI InChI=1S/C25H20ClFN8O2S/c1-35-33-22(32-34-35)21-17(7-15(26)8-18(21)27)13-2-3-16-19(11-38-20(16)6-13)30-24(37)25(4-5-25)31-23(36)14-9-28-12-29-10-14/h2-3,6-10,12,19H,4-5,11H2,1H3,(H,30,37)(H,31,36)
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4.80n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107197
PNG
(US8592426, 47)
Show SMILES COc1ncc(cn1)C(=O)NC1(CC1)C(=O)NC1COc2cc(ccc12)-c1cc(Cl)cc(F)c1-c1noc(C)n1
Show InChI InChI=1S/C27H22ClFN6O5/c1-13-32-23(35-40-13)22-18(8-16(28)9-19(22)29)14-3-4-17-20(12-39-21(17)7-14)33-25(37)27(5-6-27)34-24(36)15-10-30-26(38-2)31-11-15/h3-4,7-11,20H,5-6,12H2,1-2H3,(H,33,37)(H,34,36)
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5.40n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107207
PNG
(US8592426, 57)
Show SMILES Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1cnc2C(CCc2c1)NC(=O)C1(CC1)NC(=O)c1ccno1
Show InChI InChI=1S/C24H20ClFN8O3/c1-34-32-21(31-33-34)19-15(9-14(25)10-16(19)26)13-8-12-2-3-17(20(12)27-11-13)29-23(36)24(5-6-24)30-22(35)18-4-7-28-37-18/h4,7-11,17H,2-3,5-6H2,1H3,(H,29,36)(H,30,35)
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5.80n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107168
PNG
(US8592426, 17)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1ccc2c(CCC2(C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c1
Show InChI InChI=1S/C25H21ClF4N4O3/c1-12-31-20(34-37-12)19-16(10-15(26)11-18(19)27)13-3-4-17-14(9-13)5-6-23(17,2)32-21(35)24(7-8-24)33-22(36)25(28,29)30/h3-4,9-11H,5-8H2,1-2H3,(H,32,35)(H,33,36)
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5.90n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107156
PNG
(US8592426, 5)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1ccc2[C@H](CCc2c1)NC(=O)C1(CC1)NC(=O)C(F)(F)F |r|
Show InChI InChI=1S/C24H19ClF4N4O3/c1-11-30-20(33-36-11)19-16(9-14(25)10-17(19)26)13-2-4-15-12(8-13)3-5-18(15)31-21(34)23(6-7-23)32-22(35)24(27,28)29/h2,4,8-10,18H,3,5-7H2,1H3,(H,31,34)(H,32,35)/t18-/m0/s1
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6.20n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107208
PNG
(US8592426, 58)
Show SMILES Cc1cc(on1)C(=O)NC1(CC1)C(=O)NC1CCc2cc(cnc12)-c1cc(Cl)cc(F)c1-c1nnn(C)n1
Show InChI InChI=1S/C25H22ClFN8O3/c1-12-7-19(38-33-12)23(36)30-25(5-6-25)24(37)29-18-4-3-13-8-14(11-28-21(13)18)16-9-15(26)10-17(27)20(16)22-31-34-35(2)32-22/h7-11,18H,3-6H2,1-2H3,(H,29,37)(H,30,36)
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6.30n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107194
PNG
(US8592426, 43)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1cnc2C(CCc2c1)NC(=O)C1(CC1)NC(=O)c1ccno1
Show InChI InChI=1S/C25H20ClFN6O4/c1-12-30-22(33-36-12)20-16(9-15(26)10-17(20)27)14-8-13-2-3-18(21(13)28-11-14)31-24(35)25(5-6-25)32-23(34)19-4-7-29-37-19/h4,7-11,18H,2-3,5-6H2,1H3,(H,31,35)(H,32,34)
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6.30n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107173
PNG
(US8592426, 22)
Show SMILES Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1ccc2C(CSc2c1)NC(=O)C1(CC1)NC(=O)C(F)(F)F
Show InChI InChI=1S/C22H17ClF4N6O2S/c1-33-31-18(30-32-33)17-13(7-11(23)8-14(17)24)10-2-3-12-15(9-36-16(12)6-10)28-19(34)21(4-5-21)29-20(35)22(25,26)27/h2-3,6-8,15H,4-5,9H2,1H3,(H,28,34)(H,29,35)
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6.60n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107169
PNG
(US8592426, 18)
Show SMILES Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1ccc2c(CCC2(C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c1
Show InChI InChI=1S/C24H21ClF4N6O2/c1-22(30-20(36)23(7-8-23)31-21(37)24(27,28)29)6-5-13-9-12(3-4-16(13)22)15-10-14(25)11-17(26)18(15)19-32-34-35(2)33-19/h3-4,9-11H,5-8H2,1-2H3,(H,30,36)(H,31,37)
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6.70n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107213
PNG
(US8592426, 64)
Show SMILES Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1ccc2C(CSc2c1)NC(=O)C1(CC1)NC(=O)c1ccno1
Show InChI InChI=1S/C24H19ClFN7O3S/c1-33-31-21(30-32-33)20-15(9-13(25)10-16(20)26)12-2-3-14-17(11-37-19(14)8-12)28-23(35)24(5-6-24)29-22(34)18-4-7-27-36-18/h2-4,7-10,17H,5-6,11H2,1H3,(H,28,35)(H,29,34)
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7.10n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107190
PNG
(US8592426, 116 | US8592426, 117 | US8592426, 39/40...)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1cnc2C(CCc2c1)NC(=O)C1(CC1)NC(=O)c1ccnnc1
Show InChI InChI=1S/C26H21ClFN7O3/c1-13-32-23(35-38-13)21-18(9-17(27)10-19(21)28)16-8-14-2-3-20(22(14)29-11-16)33-25(37)26(5-6-26)34-24(36)15-4-7-30-31-12-15/h4,7-12,20H,2-3,5-6H2,1H3,(H,33,37)(H,34,36)
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7.5n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107172
PNG
(US8592426, 21)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1ccc2C(CSc2c1)NC(=O)C1(CC1)NC(=O)C(F)(F)F
Show InChI InChI=1S/C23H17ClF4N4O3S/c1-10-29-19(32-35-10)18-14(7-12(24)8-15(18)25)11-2-3-13-16(9-36-17(13)6-11)30-20(33)22(4-5-22)31-21(34)23(26,27)28/h2-3,6-8,16H,4-5,9H2,1H3,(H,30,33)(H,31,34)
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9.5n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107164
PNG
(US8592426, 13)
Show SMILES Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1cnc2C(CCc2c1)NC(=O)C1(CC1)NC(=O)C(F)(F)F
Show InChI InChI=1S/C22H18ClF4N7O2/c1-34-32-18(31-33-34)16-13(7-12(23)8-14(16)24)11-6-10-2-3-15(17(10)28-9-11)29-19(35)21(4-5-21)30-20(36)22(25,26)27/h6-9,15H,2-5H2,1H3,(H,29,35)(H,30,36)
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9.5n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107180
PNG
(US8592426, 29)
Show SMILES Cc1nnc(o1)C(=O)NC1(CC1)C(=O)N[C@H]1CCc2cc(ccc12)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r|
Show InChI InChI=1S/C26H22ClFN6O4/c1-12-29-22(34-38-12)21-18(10-16(27)11-19(21)28)15-3-5-17-14(9-15)4-6-20(17)30-25(36)26(7-8-26)31-23(35)24-33-32-13(2)37-24/h3,5,9-11,20H,4,6-8H2,1-2H3,(H,30,36)(H,31,35)/t20-/m0/s1
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9.5n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107167
PNG
(US8592426, 16)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1cc2CCC(NC(=O)C3(CC3)NC(=O)C(F)(F)F)c2c(F)c1
Show InChI InChI=1S/C24H18ClF5N4O3/c1-10-31-20(34-37-10)19-14(8-13(25)9-16(19)27)12-6-11-2-3-17(18(11)15(26)7-12)32-21(35)23(4-5-23)33-22(36)24(28,29)30/h6-9,17H,2-5H2,1H3,(H,32,35)(H,33,36)
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11n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107201
PNG
(US8592426, 51)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1ccc2[C@H](CCc2c1)NC(=O)C1(COC1)NC(=O)c1ccno1 |r|
Show InChI InChI=1S/C26H21ClFN5O5/c1-13-30-23(33-37-13)22-18(9-16(27)10-19(22)28)15-2-4-17-14(8-15)3-5-20(17)31-25(35)26(11-36-12-26)32-24(34)21-6-7-29-38-21/h2,4,6-10,20H,3,5,11-12H2,1H3,(H,31,35)(H,32,34)/t20-/m0/s1
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11.8n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107211
PNG
(US8592426, 62)
Show SMILES Cc1nnc(o1)C(=O)NC1(CC1)C(=O)NC1CSc2cc(ccc12)-c1cc(Cl)cc(F)c1-c1nnn(C)n1
Show InChI InChI=1S/C24H20ClFN8O3S/c1-11-29-31-22(37-11)21(35)28-24(5-6-24)23(36)27-17-10-38-18-7-12(3-4-14(17)18)15-8-13(25)9-16(26)19(15)20-30-33-34(2)32-20/h3-4,7-9,17H,5-6,10H2,1-2H3,(H,27,36)(H,28,35)
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12.2n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107185
PNG
(US8592426, 34)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1cc2CCC(NC(=O)C3(CC3)NC(=O)c3ccnnc3)c2c(F)c1
Show InChI InChI=1S/C27H21ClF2N6O3/c1-13-33-24(36-39-13)23-18(10-17(28)11-20(23)30)16-8-14-2-3-21(22(14)19(29)9-16)34-26(38)27(5-6-27)35-25(37)15-4-7-31-32-12-15/h4,7-12,21H,2-3,5-6H2,1H3,(H,34,38)(H,35,37)
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15.1n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107186
PNG
(US8592426, 35)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)NC1CCc2cc(cc(F)c12)-c1cc(Cl)cc(F)c1-c1noc(C)n1
Show InChI InChI=1S/C27H22ClF2N5O5/c1-12-31-24(35-39-12)23-16(9-15(28)10-18(23)30)14-7-13-3-4-19(22(13)17(29)8-14)32-26(37)27(5-6-27)33-25(36)20-11-21(38-2)34-40-20/h7-11,19H,3-6H2,1-2H3,(H,32,37)(H,33,36)
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17.1n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107184
PNG
(US8592426, 33)
Show SMILES COc1ncc(cn1)C(=O)NC1(CC1)C(=O)NC1CCc2cc(cc(F)c12)-c1cc(Cl)cc(F)c1-c1noc(C)n1
Show InChI InChI=1S/C28H23ClF2N6O4/c1-13-34-24(37-41-13)23-18(9-17(29)10-20(23)31)15-7-14-3-4-21(22(14)19(30)8-15)35-26(39)28(5-6-28)36-25(38)16-11-32-27(40-2)33-12-16/h7-12,21H,3-6H2,1-2H3,(H,35,39)(H,36,38)
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18.9n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107196
PNG
(US8592426, 46)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1ccc2C(COc2c1)NC(=O)C1(CC1)NC(=O)c1ccnnc1
Show InChI InChI=1S/C26H20ClFN6O4/c1-13-31-23(34-38-13)22-18(9-16(27)10-19(22)28)14-2-3-17-20(12-37-21(17)8-14)32-25(36)26(5-6-26)33-24(35)15-4-7-29-30-11-15/h2-4,7-11,20H,5-6,12H2,1H3,(H,32,36)(H,33,35)
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19.1n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107155
PNG
(US8592426, 4)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1ccc2C(CCc2c1)NC(=O)C1(CC1)NC(=O)C(F)(F)F
Show InChI InChI=1S/C24H19ClF4N4O3/c1-11-30-20(33-36-11)19-16(9-14(25)10-17(19)26)13-2-4-15-12(8-13)3-5-18(15)31-21(34)23(6-7-23)32-22(35)24(27,28)29/h2,4,8-10,18H,3,5-7H2,1H3,(H,31,34)(H,32,35)
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20.2n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107198
PNG
(US8592426, 48)
Show SMILES COc1cc(on1)C(=O)NC1(CC1)C(=O)NC1COc2cc(ccc12)-c1cc(Cl)cc(F)c1-c1noc(C)n1
Show InChI InChI=1S/C26H21ClFN5O6/c1-12-29-23(33-38-12)22-16(8-14(27)9-17(22)28)13-3-4-15-18(11-37-19(15)7-13)30-25(35)26(5-6-26)31-24(34)20-10-21(36-2)32-39-20/h3-4,7-10,18H,5-6,11H2,1-2H3,(H,30,35)(H,31,34)
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23.8n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107171
PNG
(US8592426, 20)
Show SMILES Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1ccc2C(COc2c1)NC(=O)C1(CC1)NC(=O)C(F)(F)F
Show InChI InChI=1S/C22H17ClF4N6O3/c1-33-31-18(30-32-33)17-13(7-11(23)8-14(17)24)10-2-3-12-15(9-36-16(12)6-10)28-19(34)21(4-5-21)29-20(35)22(25,26)27/h2-3,6-8,15H,4-5,9H2,1H3,(H,28,34)(H,29,35)
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24n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107202
PNG
(US8592426, 52)
Show SMILES Cc1cc(on1)C(=O)NC1(COC1)C(=O)N[C@H]1CCc2cc(ccc12)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r|
Show InChI InChI=1S/C27H23ClFN5O5/c1-13-7-22(39-33-13)25(35)32-27(11-37-12-27)26(36)31-21-6-4-15-8-16(3-5-18(15)21)19-9-17(28)10-20(29)23(19)24-30-14(2)38-34-24/h3,5,7-10,21H,4,6,11-12H2,1-2H3,(H,31,36)(H,32,35)/t21-/m0/s1
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25.7n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107159
PNG
(US8592426, 8)
Show SMILES Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1ccc2[C@H](CCc2c1)NC(=O)C1(COC1)NC(=O)C(F)(F)F |r|
Show InChI InChI=1S/C23H19ClF4N6O3/c1-34-32-19(31-33-34)18-15(7-13(24)8-16(18)25)12-2-4-14-11(6-12)3-5-17(14)29-20(35)22(9-37-10-22)30-21(36)23(26,27)28/h2,4,6-8,17H,3,5,9-10H2,1H3,(H,29,35)(H,30,36)/t17-/m0/s1
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30.3n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107170
PNG
(US8592426, 19)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1ccc2C(COc2c1)NC(=O)C1(CC1)NC(=O)C(F)(F)F
Show InChI InChI=1S/C23H17ClF4N4O4/c1-10-29-19(32-36-10)18-14(7-12(24)8-15(18)25)11-2-3-13-16(9-35-17(13)6-11)30-20(33)22(4-5-22)31-21(34)23(26,27)28/h2-3,6-8,16H,4-5,9H2,1H3,(H,30,33)(H,31,34)
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33.3n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107175
PNG
(US8592426, 24)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1ccc2[C@H](CCc2c1)NC(=O)C1(N)CC1 |r|
Show InChI InChI=1S/C22H20ClFN4O2/c1-11-26-20(28-30-11)19-16(9-14(23)10-17(19)24)13-2-4-15-12(8-13)3-5-18(15)27-21(29)22(25)6-7-22/h2,4,8-10,18H,3,5-7,25H2,1H3,(H,27,29)/t18-/m0/s1
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36.4n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107158
PNG
(US8592426, 7)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1ccc2[C@H](CCc2c1)NC(=O)C1(COC1)NC(=O)C(F)(F)F |r|
Show InChI InChI=1S/C24H19ClF4N4O4/c1-11-30-20(33-37-11)19-16(7-14(25)8-17(19)26)13-2-4-15-12(6-13)3-5-18(15)31-21(34)23(9-36-10-23)32-22(35)24(27,28)29/h2,4,6-8,18H,3,5,9-10H2,1H3,(H,31,34)(H,32,35)/t18-/m0/s1
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37.4n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107162
PNG
(US8592426, 11)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1ccc2C(CCCc2c1)NC(=O)C1(CC1)NC(=O)C(F)(F)F
Show InChI InChI=1S/C25H21ClF4N4O3/c1-12-31-21(34-37-12)20-17(10-15(26)11-18(20)27)14-5-6-16-13(9-14)3-2-4-19(16)32-22(35)24(7-8-24)33-23(36)25(28,29)30/h5-6,9-11,19H,2-4,7-8H2,1H3,(H,32,35)(H,33,36)
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41.6n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107204
PNG
(US8592426, 54)
Show SMILES Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1cnc2C(CCc2c1)NC(=O)C1(CC1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C25H27ClFN7O3/c1-24(2,3)37-23(36)30-25(7-8-25)22(35)29-18-6-5-13-9-14(12-28-20(13)18)16-10-15(26)11-17(27)19(16)21-31-33-34(4)32-21/h9-12,18H,5-8H2,1-4H3,(H,29,35)(H,30,36)
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63.2n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107154
PNG
(US8592426, 3)
Show SMILES COC(=O)c1c(Cl)cccc1-c1ccc2C(CCc2c1)NC(=O)C1(CC1)NC(=O)C(F)(F)F
Show InChI InChI=1S/C23H20ClF3N2O4/c1-33-19(30)18-15(3-2-4-16(18)24)13-5-7-14-12(11-13)6-8-17(14)28-20(31)22(9-10-22)29-21(32)23(25,26)27/h2-5,7,11,17H,6,8-10H2,1H3,(H,28,31)(H,29,32)
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123n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107190
PNG
(US8592426, 116 | US8592426, 117 | US8592426, 39/40...)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1cnc2C(CCc2c1)NC(=O)C1(CC1)NC(=O)c1ccnnc1
Show InChI InChI=1S/C26H21ClFN7O3/c1-13-32-23(35-38-13)21-18(9-17(27)10-19(21)28)16-8-14-2-3-20(22(14)29-11-16)33-25(37)26(5-6-26)34-24(36)15-4-7-30-31-12-15/h4,7-12,20H,2-3,5-6H2,1H3,(H,33,37)(H,34,36)
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130n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107153
PNG
(US8592426, 2)
Show SMILES FC(F)COc1c(Cl)cc(Cl)cc1-c1ccc2C(CCc2c1)NC(=O)C1(CC1)NC(=O)C(F)(F)F
Show InChI InChI=1S/C23H19Cl2F5N2O3/c24-13-8-15(19(16(25)9-13)35-10-18(26)27)12-1-3-14-11(7-12)2-4-17(14)31-20(33)22(5-6-22)32-21(34)23(28,29)30/h1,3,7-9,17-18H,2,4-6,10H2,(H,31,33)(H,32,34)
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146n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107166
PNG
(US8592426, 15)
Show SMILES Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1ccc2C(CCOc2c1)NC(=O)C1(CC1)NC(=O)C(F)(F)F
Show InChI InChI=1S/C23H19ClF4N6O3/c1-34-32-19(31-33-34)18-14(9-12(24)10-15(18)25)11-2-3-13-16(4-7-37-17(13)8-11)29-20(35)22(5-6-22)30-21(36)23(26,27)28/h2-3,8-10,16H,4-7H2,1H3,(H,29,35)(H,30,36)
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170n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107205
PNG
(US8592426, 55)
Show SMILES Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1cnc2C(CCc2c1)NC(=O)C1(N)CC1
Show InChI InChI=1S/C20H19ClFN7O/c1-29-27-18(26-28-29)16-13(7-12(21)8-14(16)22)11-6-10-2-3-15(17(10)24-9-11)25-19(30)20(23)4-5-20/h6-9,15H,2-5,23H2,1H3,(H,25,30)
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211n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
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