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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 = 'BDBM107169'   
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))
BDBM107169
PNG
(US8592426, 18)
Show SMILES Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1ccc2c(CCC2(C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c1
Show InChI InChI=1S/C24H21ClF4N6O2/c1-22(30-20(36)23(7-8-23)31-21(37)24(27,28)29)6-5-13-9-12(3-4-16(13)22)15-10-14(25)11-17(26)18(15)19-32-34-35(2)33-19/h3-4,9-11H,5-8H2,1-2H3,(H,30,36)(H,31,37)
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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
6.70n/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))
BDBM107169
PNG
(US8592426, 18)
Show SMILES Cn1nnc(n1)-c1c(F)cc(Cl)cc1-c1ccc2c(CCC2(C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c1
Show InChI InChI=1S/C24H21ClF4N6O2/c1-22(30-20(36)23(7-8-23)31-21(37)24(27,28)29)6-5-13-9-12(3-4-16(13)22)15-10-14(25)11-17(26)18(15)19-32-34-35(2)33-19/h3-4,9-11H,5-8H2,1-2H3,(H,30,36)(H,31,37)
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