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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 = 'BDBM107212'   
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))
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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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
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))
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
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
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