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4 similar compounds to monomer 107197

Wt: 524.8
BDBM107170
Wt: 428.8
BDBM107195
Wt: 534.9
BDBM107196
Wt: 584.9
BDBM140558

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 107170,107195,107196,140558   
Target
(Institution)
LigandTarget
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
Bradykinin B1 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
Show InChI InChI=1/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-/s2
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US Patent
0.600n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
Bradykinin-1 Receptor


(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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US Patent
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)

More data for this
Ligand-Target Pair
Bradykinin-1 Receptor


(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)

More data for this
Ligand-Target Pair
Bradykinin-1 Receptor


(Homo sapiens (Human))
BDBM107195
PNG
(US8592426, 45)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1ccc2C(COc2c1)NC(=O)C1(N)CC1
Show InChI InChI=1S/C21H18ClFN4O3/c1-10-25-19(27-30-10)18-14(7-12(22)8-15(18)23)11-2-3-13-16(9-29-17(13)6-11)26-20(28)21(24)4-5-21/h2-3,6-8,16H,4-5,9,24H2,1H3,(H,26,28)
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1.53E+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)

More data for this
Ligand-Target Pair
Bradykinin-1 Receptor


(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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n/an/a 4.70n/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Calcium mobilization assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)

More data for this
Ligand-Target Pair
Bradykinin-1 Receptor


(Homo sapiens (Human))
BDBM107195
PNG
(US8592426, 45)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1ccc2C(COc2c1)NC(=O)C1(N)CC1
Show InChI InChI=1S/C21H18ClFN4O3/c1-10-25-19(27-30-10)18-14(7-12(22)8-15(18)23)11-2-3-13-16(9-29-17(13)6-11)26-20(28)21(24)4-5-21/h2-3,6-8,16H,4-5,9,24H2,1H3,(H,26,28)
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n/an/a 701n/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Calcium mobilization assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)

More data for this
Ligand-Target Pair
Bradykinin-1 Receptor


(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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US Patent
n/an/a 4.5n/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Calcium mobilization assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)

More data for this
Ligand-Target Pair