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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 = 'BDBM107211'   
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))
BDBM107211
PNG
(US8592426, 62)
Show SMILES Cc1nnc(o1)C(=O)NC1(CC1)C(=O)NC1CSc2cc(ccc12)-c1cc(Cl)cc(F)c1-c1nnn(C)n1
Show InChI InChI=1S/C24H20ClFN8O3S/c1-11-29-31-22(37-11)21(35)28-24(5-6-24)23(36)27-17-10-38-18-7-12(3-4-14(17)18)15-8-13(25)9-16(26)19(15)20-30-33-34(2)32-20/h3-4,7-9,17H,5-6,10H2,1-2H3,(H,27,36)(H,28,35)
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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
12.2n/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))
BDBM107211
PNG
(US8592426, 62)
Show SMILES Cc1nnc(o1)C(=O)NC1(CC1)C(=O)NC1CSc2cc(ccc12)-c1cc(Cl)cc(F)c1-c1nnn(C)n1
Show InChI InChI=1S/C24H20ClFN8O3S/c1-11-29-31-22(37-11)21(35)28-24(5-6-24)23(36)27-17-10-38-18-7-12(3-4-14(17)18)15-8-13(25)9-16(26)19(15)20-30-33-34(2)32-20/h3-4,7-9,17H,5-6,10H2,1-2H3,(H,27,36)(H,28,35)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 4.80n/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