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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kininogen-1' and Ligand = 'BDBM107206'   
Target/Host
(Institution)
LigandTarget/Host
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
Kininogen-1


(Homo sapiens (Human))
BDBM107206
PNG
(US8592426, 56)
Show SMILES COc1ncc(cn1)C(=O)NC1(CC1)C(=O)NC1CCc2cc(cnc12)-c1cc(Cl)cc(F)c1-c1nnn(C)n1
Show InChI InChI=1S/C26H23ClFN9O3/c1-37-35-22(34-36-37)20-17(8-16(27)9-18(20)28)14-7-13-3-4-19(21(13)29-10-14)32-24(39)26(5-6-26)33-23(38)15-11-30-25(40-2)31-12-15/h7-12,19H,3-6H2,1-2H3,(H,32,39)(H,33,38)
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PC cid
PC sid
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Similars

US Patent
4.5n/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)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair
Kininogen-1


(Homo sapiens (Human))
BDBM107206
PNG
(US8592426, 56)
Show SMILES COc1ncc(cn1)C(=O)NC1(CC1)C(=O)NC1CCc2cc(cnc12)-c1cc(Cl)cc(F)c1-c1nnn(C)n1
Show InChI InChI=1S/C26H23ClFN9O3/c1-37-35-22(34-36-37)20-17(8-16(27)9-18(20)28)14-7-13-3-4-19(21(13)29-10-14)32-24(39)26(5-6-26)33-23(38)15-11-30-25(40-2)31-12-15/h7-12,19H,3-6H2,1-2H3,(H,32,39)(H,33,38)
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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)


BindingDB Entry DOI: 10.7270/Q2WH2NN0
More data for this
Ligand-Target Pair