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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 = 'BDBM107162'   
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))
BDBM107162
PNG
(US8592426, 11)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1ccc2C(CCCc2c1)NC(=O)C1(CC1)NC(=O)C(F)(F)F
Show InChI InChI=1S/C25H21ClF4N4O3/c1-12-31-21(34-37-12)20-17(10-15(26)11-18(20)27)14-5-6-16-13(9-14)3-2-4-19(16)32-22(35)24(7-8-24)33-23(36)25(28,29)30/h5-6,9-11,19H,2-4,7-8H2,1H3,(H,32,35)(H,33,36)
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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
41.6n/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))
BDBM107162
PNG
(US8592426, 11)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1ccc2C(CCCc2c1)NC(=O)C1(CC1)NC(=O)C(F)(F)F
Show InChI InChI=1S/C25H21ClF4N4O3/c1-12-31-21(34-37-12)20-17(10-15(26)11-18(20)27)14-5-6-16-13(9-14)3-2-4-19(16)32-22(35)24(7-8-24)33-23(36)25(28,29)30/h5-6,9-11,19H,2-4,7-8H2,1H3,(H,32,35)(H,33,36)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 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