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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kininogen-1' and Ligand = 'BDBM107179'   
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))
BDBM107179
PNG
(US8592426, 28)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1ccc2[C@H](CCc2c1)NC(=O)C1(CC1)NC(=O)c1ccno1 |r|
Show InChI InChI=1S/C26H21ClFN5O4/c1-13-30-23(33-36-13)22-18(11-16(27)12-19(22)28)15-2-4-17-14(10-15)3-5-20(17)31-25(35)26(7-8-26)32-24(34)21-6-9-29-37-21/h2,4,6,9-12,20H,3,5,7-8H2,1H3,(H,31,35)(H,32,34)/t20-/m0/s1
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PC cid
PC sid
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Similars

US Patent
4.10n/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))
BDBM107179
PNG
(US8592426, 28)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1ccc2[C@H](CCc2c1)NC(=O)C1(CC1)NC(=O)c1ccno1 |r|
Show InChI InChI=1S/C26H21ClFN5O4/c1-13-30-23(33-36-13)22-18(11-16(27)12-19(22)28)15-2-4-17-14(10-15)3-5-20(17)31-25(35)26(7-8-26)32-24(34)21-6-9-29-37-21/h2,4,6,9-12,20H,3,5,7-8H2,1H3,(H,31,35)(H,32,34)/t20-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.300n/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