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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 = 'BDBM107180'   
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))
BDBM107180
PNG
(US8592426, 29)
Show SMILES Cc1nnc(o1)C(=O)NC1(CC1)C(=O)N[C@H]1CCc2cc(ccc12)-c1cc(Cl)cc(F)c1-c1noc(C)n1
Show InChI InChI=1S/C26H22ClFN6O4/c1-12-29-22(34-38-12)21-18(10-16(27)11-19(21)28)15-3-5-17-14(9-15)4-6-20(17)30-25(36)26(7-8-26)31-23(35)24-33-32-13(2)37-24/h3,5,9-11,20H,4,6-8H2,1-2H3,(H,30,36)(H,31,35)/t20-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
9.5n/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))
BDBM107180
PNG
(US8592426, 29)
Show SMILES Cc1nnc(o1)C(=O)NC1(CC1)C(=O)N[C@H]1CCc2cc(ccc12)-c1cc(Cl)cc(F)c1-c1noc(C)n1
Show InChI InChI=1S/C26H22ClFN6O4/c1-12-29-22(34-38-12)21-18(10-16(27)11-19(21)28)15-3-5-17-14(9-15)4-6-20(17)30-25(36)26(7-8-26)31-23(35)24-33-32-13(2)37-24/h3,5,9-11,20H,4,6-8H2,1-2H3,(H,30,36)(H,31,35)/t20-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 3.40n/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