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Compile Data Set for Download or QSAR

Found 1531 hits with Last Name = 'kuehne' and Initial = 'h'   
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
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM140558
PNG
(US8912221, 31)
Show SMILES COc1ncc(cn1)C(=O)NC1(COC1)C(=O)N[C@H](C)c1ccc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r|
Show InChI InChI=1S/C27H23ClF2N6O5/c1-13(33-25(38)27(11-40-12-27)35-24(37)16-9-31-26(39-3)32-10-16)18-5-4-15(6-20(18)29)19-7-17(28)8-21(30)22(19)23-34-14(2)41-36-23/h4-10,13H,11-12H2,1-3H3,(H,33,38)(H,35,37)/t13-/m1/s1
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0.600n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM140539
PNG
(US8912221, 12)
Show SMILES COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(COC2)NC(=O)c2ccno2)c(F)c1 |r|
Show InChI InChI=1S/C24H21ClFN3O6/c1-13(28-23(32)24(11-34-12-24)29-21(30)19-8-9-27-35-19)15-7-6-14(10-18(15)26)16-4-3-5-17(25)20(16)22(31)33-2/h3-10,13H,11-12H2,1-2H3,(H,28,32)(H,29,30)/t13-/m1/s1
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0.800n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM140552
PNG
(US8912221, 25)
Show SMILES C[C@@H](NC(=O)C1(COC1)NC(=O)c1ccnnc1)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r|
Show InChI InChI=1S/C25H20ClF2N7O4/c1-12(32-24(37)25(10-38-11-25)34-23(36)14-3-4-30-31-9-14)21-19(28)5-15(8-29-21)17-6-16(26)7-18(27)20(17)22-33-13(2)39-35-22/h3-9,12H,10-11H2,1-2H3,(H,32,37)(H,34,36)/t12-/m1/s1
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1n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM140550
PNG
(US8912221, 23)
Show SMILES C[C@@H](NC(=O)C1(COC1)NC(=O)c1cc(C)no1)c1ccc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 |r|
Show InChI InChI=1S/C25H22ClF2N7O4/c1-12-6-20(39-33-12)23(36)30-25(10-38-11-25)24(37)29-13(2)16-5-4-14(7-18(16)27)17-8-15(26)9-19(28)21(17)22-31-34-35(3)32-22/h4-9,13H,10-11H2,1-3H3,(H,29,37)(H,30,36)/t13-/m1/s1
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1n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM140540
PNG
(US8912221, 13)
Show SMILES COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(COC2)NC(=O)c2cc(C)no2)c(F)c1 |r|
Show InChI InChI=1S/C25H23ClFN3O6/c1-13-9-20(36-30-13)22(31)29-25(11-35-12-25)24(33)28-14(2)16-8-7-15(10-19(16)27)17-5-4-6-18(26)21(17)23(32)34-3/h4-10,14H,11-12H2,1-3H3,(H,28,33)(H,29,31)/t14-/m1/s1
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1n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM140532
PNG
(US8912221, 5)
Show SMILES C[C@@H](NC(=O)C1(COC1)NC(=O)c1cncnc1)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r|
Show InChI InChI=1S/C25H20ClF2N7O4/c1-12(32-24(37)25(9-38-10-25)34-23(36)15-6-29-11-30-7-15)21-19(28)3-14(8-31-21)17-4-16(26)5-18(27)20(17)22-33-13(2)39-35-22/h3-8,11-12H,9-10H2,1-2H3,(H,32,37)(H,34,36)/t12-/m1/s1
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1.10n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM140571
PNG
(US8912221, 44)
Show SMILES COc1ncc(cn1)C(=O)NC1(COC1)C(=O)N[C@H](C)c1ccc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 |r|
Show InChI InChI=1S/C26H23ClF2N8O4/c1-13(32-24(39)26(11-41-12-26)33-23(38)15-9-30-25(40-3)31-10-15)17-5-4-14(6-19(17)28)18-7-16(27)8-20(29)21(18)22-34-36-37(2)35-22/h4-10,13H,11-12H2,1-3H3,(H,32,39)(H,33,38)/t13-/m1/s1
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1.10n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM140567
PNG
(US8912221, 40)
Show SMILES COc1ncc(cn1)C(=O)NC1(COC1)C(=O)N[C@H](C)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F |r|
Show InChI InChI=1S/C25H22Cl2F3N5O5/c1-12(34-23(37)25(10-39-11-25)35-22(36)14-7-32-24(38-2)33-8-14)20-18(28)3-13(6-31-20)16-4-15(26)5-17(27)21(16)40-9-19(29)30/h3-8,12,19H,9-11H2,1-2H3,(H,34,37)(H,35,36)/t12-/m1/s1
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1.10n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM140542
PNG
(US8912221, 15)
Show SMILES COc1ncc(cn1)C(=O)NC1(COC1)C(=O)N[C@H](C)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r|
Show InChI InChI=1S/C26H22ClF2N7O5/c1-12(33-24(38)26(10-40-11-26)35-23(37)15-8-31-25(39-3)32-9-15)21-19(29)4-14(7-30-21)17-5-16(27)6-18(28)20(17)22-34-13(2)41-36-22/h4-9,12H,10-11H2,1-3H3,(H,33,38)(H,35,37)/t12-/m1/s1
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1.10n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM140551
PNG
(US8912221, 24)
Show SMILES C[C@@H](NC(=O)C1(COC1)NC(=O)c1cc(C)no1)c1ccc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r|
Show InChI InChI=1S/C26H22ClF2N5O5/c1-12-6-21(39-33-12)24(35)32-26(10-37-11-26)25(36)30-13(2)17-5-4-15(7-19(17)28)18-8-16(27)9-20(29)22(18)23-31-14(3)38-34-23/h4-9,13H,10-11H2,1-3H3,(H,30,36)(H,32,35)/t13-/m1/s1
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1.20n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM140563
PNG
(US8912221, 36)
Show SMILES COc1ncc(cn1)C(=O)NC1(COC1)C(=O)N[C@H](C)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 |r|
Show InChI InChI=1S/C25H22ClF2N9O4/c1-12(32-23(39)25(10-41-11-25)33-22(38)14-8-30-24(40-3)31-9-14)20-18(28)4-13(7-29-20)16-5-15(26)6-17(27)19(16)21-34-36-37(2)35-21/h4-9,12H,10-11H2,1-3H3,(H,32,39)(H,33,38)/t12-/m1/s1
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1.20n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM140557
PNG
(US8912221, 30)
Show SMILES C[C@@H](NC(=O)C1(COC1)NC(=O)c1cccnc1)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r|
Show InChI InChI=1S/C26H21ClF2N6O4/c1-13(32-25(37)26(11-38-12-26)34-24(36)15-4-3-5-30-9-15)22-20(29)6-16(10-31-22)18-7-17(27)8-19(28)21(18)23-33-14(2)39-35-23/h3-10,13H,11-12H2,1-2H3,(H,32,37)(H,34,36)/t13-/m1/s1
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1.30n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM140541
PNG
(US8912221, 14)
Show SMILES COc1cc(on1)C(=O)NC1(COC1)C(=O)N[C@H](C)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r|
Show InChI InChI=1S/C25H21ClF2N6O6/c1-11(30-24(36)25(9-38-10-25)32-23(35)18-7-19(37-3)33-40-18)21-17(28)4-13(8-29-21)15-5-14(26)6-16(27)20(15)22-31-12(2)39-34-22/h4-8,11H,9-10H2,1-3H3,(H,30,36)(H,32,35)/t11-/m1/s1
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1.40n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM140570
PNG
(US8912221, 43)
Show SMILES COc1cc(on1)C(=O)NC1(COC1)C(=O)N[C@H](C)c1ccc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 |r|
Show InChI InChI=1S/C25H22ClF2N7O5/c1-12(29-24(37)25(10-39-11-25)30-23(36)19-9-20(38-3)33-40-19)15-5-4-13(6-17(15)27)16-7-14(26)8-18(28)21(16)22-31-34-35(2)32-22/h4-9,12H,10-11H2,1-3H3,(H,29,37)(H,30,36)/t12-/m1/s1
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1.40n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM140555
PNG
(US8912221, 28)
Show SMILES C[C@@H](NC(=O)C1(COC1)NC(=O)c1cncc(N)c1)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r|
Show InChI InChI=1S/C26H22ClF2N7O4/c1-12(33-25(38)26(10-39-11-26)35-24(37)15-3-17(30)9-31-7-15)22-20(29)4-14(8-32-22)18-5-16(27)6-19(28)21(18)23-34-13(2)40-36-23/h3-9,12H,10-11,30H2,1-2H3,(H,33,38)(H,35,37)/t12-/m1/s1
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1.40n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM140547
PNG
(US8912221, 20)
Show SMILES C[C@@H](NC(=O)C1(COC1)NC(=O)c1cc(C)no1)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 |r|
Show InChI InChI=1S/C24H21ClF2N8O4/c1-11-4-18(39-33-11)22(36)30-24(9-38-10-24)23(37)29-12(2)20-17(27)5-13(8-28-20)15-6-14(25)7-16(26)19(15)21-31-34-35(3)32-21/h4-8,12H,9-10H2,1-3H3,(H,29,37)(H,30,36)/t12-/m1/s1
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1.60n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM140534
PNG
(US8912221, 7)
Show SMILES COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(COC2)NC(=O)c2cncnc2)c(F)c1 |r|
Show InChI InChI=1S/C25H22ClFN4O5/c1-14(30-24(34)25(11-36-12-25)31-22(32)16-9-28-13-29-10-16)17-7-6-15(8-20(17)27)18-4-3-5-19(26)21(18)23(33)35-2/h3-10,13-14H,11-12H2,1-2H3,(H,30,34)(H,31,32)/t14-/m1/s1
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1.60n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM140543
PNG
(US8912221, 16)
Show SMILES C[C@@H](NC(=O)C1(COC1)NC(=O)c1snnc1C)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r|
Show InChI InChI=1S/C24H20ClF2N7O4S/c1-10(29-23(36)24(8-37-9-24)31-22(35)20-11(2)32-34-39-20)19-17(27)4-13(7-28-19)15-5-14(25)6-16(26)18(15)21-30-12(3)38-33-21/h4-7,10H,8-9H2,1-3H3,(H,29,36)(H,31,35)/t10-/m1/s1
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1.60n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM140549
PNG
(US8912221, 22)
Show SMILES C[C@@H](NC(=O)C1(COC1)NC(=O)C(F)(F)F)c1ccc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 |r|
Show InChI InChI=1S/C22H18ClF5N6O3/c1-10(29-19(35)21(8-37-9-21)30-20(36)22(26,27)28)13-4-3-11(5-15(13)24)14-6-12(23)7-16(25)17(14)18-31-33-34(2)32-18/h3-7,10H,8-9H2,1-2H3,(H,29,35)(H,30,36)/t10-/m1/s1
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1.70n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM140561
PNG
(US8912221, 34)
Show SMILES COc1cc(on1)C(=O)NC1(COC1)C(=O)N[C@H](C)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 |r|
Show InChI InChI=1S/C24H21ClF2N8O5/c1-11(29-23(37)24(9-39-10-24)30-22(36)17-7-18(38-3)33-40-17)20-16(27)4-12(8-28-20)14-5-13(25)6-15(26)19(14)21-31-34-35(2)32-21/h4-8,11H,9-10H2,1-3H3,(H,29,37)(H,30,36)/t11-/m1/s1
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2.20n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM140559
PNG
(US8912221, 32)
Show SMILES C[C@@H](NC(=O)C1(COC1)NC(=O)c1ccno1)c1ccc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F |r|
Show InChI InChI=1S/C24H20Cl2F3N3O5/c1-12(31-23(34)24(10-35-11-24)32-22(33)19-4-5-30-37-19)15-3-2-13(6-18(15)27)16-7-14(25)8-17(26)21(16)36-9-20(28)29/h2-8,12,20H,9-11H2,1H3,(H,31,34)(H,32,33)/t12-/m1/s1
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2.30n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM140530
PNG
(US8912221, 3)
Show SMILES C[C@@H](NC(=O)C1(COC1)NC(=O)c1ccno1)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r|
Show InChI InChI=1S/C24H19ClF2N6O5/c1-11(30-23(35)24(9-36-10-24)32-22(34)18-3-4-29-38-18)20-17(27)5-13(8-28-20)15-6-14(25)7-16(26)19(15)21-31-12(2)37-33-21/h3-8,11H,9-10H2,1-2H3,(H,30,35)(H,32,34)/t11-/m1/s1
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2.40n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM140531
PNG
(US8912221, 4)
Show SMILES C[C@@H](NC(=O)C1(COC1)NC(=O)c1cc(C)no1)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r|
Show InChI InChI=1S/C25H21ClF2N6O5/c1-11-4-19(39-33-11)23(35)32-25(9-37-10-25)24(36)30-12(2)21-18(28)5-14(8-29-21)16-6-15(26)7-17(27)20(16)22-31-13(3)38-34-22/h4-8,12H,9-10H2,1-3H3,(H,30,36)(H,32,35)/t12-/m1/s1
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2.5n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
More data for this
Ligand-Target Pair
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
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM140538
PNG
(US8912221, 11)
Show SMILES C[C@@H](NC(=O)C1(COC1)NC(=O)c1cncnc1)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F |r|
Show InChI InChI=1S/C24H20Cl2F3N5O4/c1-12(33-23(36)24(9-37-10-24)34-22(35)14-5-30-11-31-6-14)20-18(27)2-13(7-32-20)16-3-15(25)4-17(26)21(16)38-8-19(28)29/h2-7,11-12,19H,8-10H2,1H3,(H,33,36)(H,34,35)/t12-/m1/s1
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2.60n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM140528
PNG
(US8912221, 1)
Show SMILES C[C@@H](NC(=O)C1(COC1)NC(=O)c1cc(F)cc(c1)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r|
Show InChI InChI=1S/C28H20ClF6N5O4/c1-12(37-26(42)27(10-43-11-27)39-25(41)14-3-16(28(33,34)35)6-18(30)4-14)23-21(32)5-15(9-36-23)19-7-17(29)8-20(31)22(19)24-38-13(2)44-40-24/h3-9,12H,10-11H2,1-2H3,(H,37,42)(H,39,41)/t12-/m1/s1
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2.60n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
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
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM140545
PNG
(US8912221, 18)
Show SMILES COc1cc(on1)C(=O)NC1(COC1)C(=O)N[C@H](C)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F |r|
Show InChI InChI=1S/C24H21Cl2F3N4O6/c1-11(31-23(35)24(9-37-10-24)32-22(34)17-6-19(36-2)33-39-17)20-16(27)3-12(7-30-20)14-4-13(25)5-15(26)21(14)38-8-18(28)29/h3-7,11,18H,8-10H2,1-2H3,(H,31,35)(H,32,34)/t11-/m1/s1
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3n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
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
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM140562
PNG
(US8912221, 35)
Show SMILES COc1ncc(cn1)C(=O)NC1(COC1)C(=O)N[C@H](C)c1ccc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F |r|
Show InChI InChI=1S/C26H23Cl2F3N4O5/c1-13(34-24(37)26(11-39-12-26)35-23(36)15-8-32-25(38-2)33-9-15)17-4-3-14(5-20(17)29)18-6-16(27)7-19(28)22(18)40-10-21(30)31/h3-9,13,21H,10-12H2,1-2H3,(H,34,37)(H,35,36)/t13-/m1/s1
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3.30n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM140564
PNG
(US8912221, 37)
Show SMILES COc1cc(on1)C(=O)NC1(COC1)C(=O)N[C@H](C)c1ccc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F |r|
Show InChI InChI=1S/C25H22Cl2F3N3O6/c1-12(31-24(35)25(10-37-11-25)32-23(34)19-8-21(36-2)33-39-19)15-4-3-13(5-18(15)28)16-6-14(26)7-17(27)22(16)38-9-20(29)30/h3-8,12,20H,9-11H2,1-2H3,(H,31,35)(H,32,34)/t12-/m1/s1
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3.5n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
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))
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))
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))
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
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM140548
PNG
(US8912221, 21)
Show SMILES C[C@@H](NC(=O)C1(COC1)NC(=O)C(F)(F)F)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1nnn(C)n1 |r|
Show InChI InChI=1S/C21H17ClF5N7O3/c1-9(29-18(35)20(7-37-8-20)30-19(36)21(25,26)27)16-14(24)3-10(6-28-16)12-4-11(22)5-13(23)15(12)17-31-33-34(2)32-17/h3-6,9H,7-8H2,1-2H3,(H,29,35)(H,30,36)/t9-/m1/s1
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4.30n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM140565
PNG
(US8912221, 38)
Show SMILES C[C@@H](NC(=O)C1(COC1)NC(=O)c1nnc(C)o1)c1ccc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F |r|
Show InChI InChI=1S/C24H21Cl2F3N4O5/c1-11(30-23(35)24(9-36-10-24)31-21(34)22-33-32-12(2)38-22)15-4-3-13(5-18(15)27)16-6-14(25)7-17(26)20(16)37-8-19(28)29/h3-7,11,19H,8-10H2,1-2H3,(H,30,35)(H,31,34)/t11-/m1/s1
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4.30n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
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
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM140537
PNG
(US8912221, 10)
Show SMILES C[C@@H](NC(=O)C1(COC1)NC(=O)c1ccno1)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F |r|
Show InChI InChI=1S/C23H19Cl2F3N4O5/c1-11(31-22(34)23(9-35-10-23)32-21(33)17-2-3-30-37-17)19-16(26)4-12(7-29-19)14-5-13(24)6-15(25)20(14)36-8-18(27)28/h2-7,11,18H,8-10H2,1H3,(H,31,34)(H,32,33)/t11-/m1/s1
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4.70n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
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))
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
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM140536
PNG
(US8912221, 9)
Show SMILES C[C@@H](NC(=O)C1(COC1)NC(=O)c1cc(C)no1)c1ncc(cc1F)-c1cc(Cl)cc(Cl)c1OCC(F)F |r|
Show InChI InChI=1S/C24H21Cl2F3N4O5/c1-11-3-18(38-33-11)22(34)32-24(9-36-10-24)23(35)31-12(2)20-17(27)4-13(7-30-20)15-5-14(25)6-16(26)21(15)37-8-19(28)29/h3-7,12,19H,8-10H2,1-2H3,(H,31,35)(H,32,34)/t12-/m1/s1
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5.10n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM140546
PNG
(US8912221, 19)
Show SMILES C[C@@H](NC(=O)C1(COC1)NC(=O)c1nnc(C)o1)c1ncc(cc1F)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r|
Show InChI InChI=1S/C24H20ClF2N7O5/c1-10(29-23(36)24(8-37-9-24)31-21(35)22-33-32-12(3)38-22)19-17(27)4-13(7-28-19)15-5-14(25)6-16(26)18(15)20-30-11(2)39-34-20/h4-7,10H,8-9H2,1-3H3,(H,29,36)(H,31,35)/t10-/m1/s1
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5.10n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
More data for this
Ligand-Target Pair
B1 bradykinin receptor


(Homo sapiens (Human))
BDBM140535
PNG
(US8912221, 8)
Show SMILES COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(COC2)NC(=O)CC(F)(F)F)c(F)c1 |r|
Show InChI InChI=1S/C23H21ClF4N2O5/c1-12(29-21(33)22(10-35-11-22)30-18(31)9-23(26,27)28)14-7-6-13(8-17(14)25)15-4-3-5-16(24)19(15)20(32)34-2/h3-8,12H,9-11H2,1-2H3,(H,29,33)(H,30,31)/t12-/m1/s1
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5.30n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding, Bradykinin-1 receptor antagonist compounds were added in various concentrations in 50 mM Tris pH 7.4, 5 mM MgCl2 together with 6 nM Kall...


US Patent US8912221 (2014)


BindingDB Entry DOI: 10.7270/Q2668BWC
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
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