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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kininogen-1' and Ligand = 'BDBM107177'   
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))
BDBM107177
PNG
(US8592426, 26)
Show SMILES COc1ncc(cn1)C(=O)NC1(CC1)C(=O)N[C@H]1CCc2cc(ccc12)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r|
Show InChI InChI=1S/C28H24ClFN6O4/c1-14-33-24(36-40-14)23-20(10-18(29)11-21(23)30)16-3-5-19-15(9-16)4-6-22(19)34-26(38)28(7-8-28)35-25(37)17-12-31-27(39-2)32-13-17/h3,5,9-13,22H,4,6-8H2,1-2H3,(H,34,38)(H,35,37)/t22-/m0/s1
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PC cid
PC sid
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Similars

US Patent
2.60n/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))
BDBM107177
PNG
(US8592426, 26)
Show SMILES COc1ncc(cn1)C(=O)NC1(CC1)C(=O)N[C@H]1CCc2cc(ccc12)-c1cc(Cl)cc(F)c1-c1noc(C)n1 |r|
Show InChI InChI=1S/C28H24ClFN6O4/c1-14-33-24(36-40-14)23-20(10-18(29)11-21(23)30)16-3-5-19-15(9-16)4-6-22(19)34-26(38)28(7-8-28)35-25(37)17-12-31-27(39-2)32-13-17/h3,5,9-13,22H,4,6-8H2,1-2H3,(H,34,38)(H,35,37)/t22-/m0/s1
PDB

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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