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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bradykinin-1 Receptor' and Ligand = 'BDBM107184'   
Target
(Institution)
LigandTarget
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
Bradykinin-1 Receptor


(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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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
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)

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


(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)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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