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3 similar compounds to monomer 107211

Wt: 550.9
BDBM107212
Wt: 539.9
BDBM107213
Wt: 540.9
BDBM107173

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 107212,107213,107173   
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))
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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US Patent
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)

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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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))
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
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))
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)
Reactome pathway
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UniProtKB/SwissProt

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PC sid
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US Patent
n/an/a 0.200n/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))
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)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

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AffyNet 
US Patent
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