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4 similar compounds to monomer 107212

Wt: 444.9
BDBM107210
Wt: 554.9
BDBM107211
Wt: 539.9
BDBM107213
Wt: 540.9
BDBM107173

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 107210,107211,107213,107173   
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-1 Receptor


(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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US Patent
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)

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


(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)

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


(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)

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


(Homo sapiens (Human))
BDBM107210
PNG
(US8592426, 61)
Show SMILES Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1ccc2C(CSc2c1)NC(=O)C1(N)CC1
Show InChI InChI=1S/C20H18ClFN6OS/c1-28-26-18(25-27-28)17-13(7-11(21)8-14(17)22)10-2-3-12-15(9-30-16(12)6-10)24-19(29)20(23)4-5-20/h2-3,6-8,15H,4-5,9,23H2,1H3,(H,24,29)
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264n/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))
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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n/an/a 0.5n/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
Bradykinin-1 Receptor


(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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n/an/a 0.800n/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))
BDBM107210
PNG
(US8592426, 61)
Show SMILES Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1ccc2C(CSc2c1)NC(=O)C1(N)CC1
Show InChI InChI=1S/C20H18ClFN6OS/c1-28-26-18(25-27-28)17-13(7-11(21)8-14(17)22)10-2-3-12-15(9-30-16(12)6-10)24-19(29)20(23)4-5-20/h2-3,6-8,15H,4-5,9,23H2,1H3,(H,24,29)
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US Patent
n/an/a 17.4n/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))
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)
Reactome pathway
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US Patent
n/an/a 4.80n/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