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SMILES: Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3F)c3nnc(C)o3)ccc2F)n[nH]1

InChI Key: InChIKey=KGJQVQSYWYQQOD-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 155575   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aurora kinase A


(Homo sapiens (Human))
BDBM155575
PNG
(US10092556, Example 28 | US9012475, 28 | US9346787...)
Show SMILES Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3F)c3nnc(C)o3)ccc2F)n[nH]1
Show InChI InChI=1S/C25H24ClF2N7O2/c1-14-12-20(33-31-14)30-22-19(27)7-6-16(29-22)13-25(24-34-32-15(2)37-24)8-10-35(11-9-25)23(36)17-4-3-5-18(26)21(17)28/h3-7,12H,8-11,13H2,1-2H3,(H2,29,30,31,33)
PDB
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US Patent
n/an/a 0.700n/an/an/an/a7.425



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
An inhibitory activity of the above compound in-vitro against Aurora A kinase activity was measured with reference to a method described in JP-A-2008...


US Patent US9012475 (2015)


BindingDB Entry DOI: 10.7270/Q2MW2FWZ
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM155575
PNG
(US10092556, Example 28 | US9012475, 28 | US9346787...)
Show SMILES Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3F)c3nnc(C)o3)ccc2F)n[nH]1
Show InChI InChI=1S/C25H24ClF2N7O2/c1-14-12-20(33-31-14)30-22-19(27)7-6-16(29-22)13-25(24-34-32-15(2)37-24)8-10-35(11-9-25)23(36)17-4-3-5-18(26)21(17)28/h3-7,12H,8-11,13H2,1-2H3,(H2,29,30,31,33)
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US Patent
n/an/a 450n/an/an/an/a7.4n/a



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
The method for measuring the in-vitro inhibitory activity of a test compound against Aurora B kinase activity was substantially the same as in the ca...


US Patent US9012475 (2015)


BindingDB Entry DOI: 10.7270/Q2MW2FWZ
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM155575
PNG
(US10092556, Example 28 | US9012475, 28 | US9346787...)
Show SMILES Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3F)c3nnc(C)o3)ccc2F)n[nH]1
Show InChI InChI=1S/C25H24ClF2N7O2/c1-14-12-20(33-31-14)30-22-19(27)7-6-16(29-22)13-25(24-34-32-15(2)37-24)8-10-35(11-9-25)23(36)17-4-3-5-18(26)21(17)28/h3-7,12H,8-11,13H2,1-2H3,(H2,29,30,31,33)
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US Patent
n/an/a 450n/an/an/an/a7.4n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The in vitro method for measuring the inhibitory activity of the test compound on the aurora B kinase activity was performed in a similar manner as t...


US Patent US10092556 (2018)


BindingDB Entry DOI: 10.7270/Q2ZG6V8B
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM155575
PNG
(US10092556, Example 28 | US9012475, 28 | US9346787...)
Show SMILES Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3F)c3nnc(C)o3)ccc2F)n[nH]1
Show InChI InChI=1S/C25H24ClF2N7O2/c1-14-12-20(33-31-14)30-22-19(27)7-6-16(29-22)13-25(24-34-32-15(2)37-24)8-10-35(11-9-25)23(36)17-4-3-5-18(26)21(17)28/h3-7,12H,8-11,13H2,1-2H3,(H2,29,30,31,33)
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US Patent
n/an/a 450n/an/an/an/a7.4n/a



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
The in vitro method for measuring the inhibitory activity of the test compound on the aurora B kinase activity was performed in a similar manner as t...


US Patent US9346787 (2016)


BindingDB Entry DOI: 10.7270/Q28K77Z2
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM155575
PNG
(US10092556, Example 28 | US9012475, 28 | US9346787...)
Show SMILES Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3F)c3nnc(C)o3)ccc2F)n[nH]1
Show InChI InChI=1S/C25H24ClF2N7O2/c1-14-12-20(33-31-14)30-22-19(27)7-6-16(29-22)13-25(24-34-32-15(2)37-24)8-10-35(11-9-25)23(36)17-4-3-5-18(26)21(17)28/h3-7,12H,8-11,13H2,1-2H3,(H2,29,30,31,33)
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US Patent
n/an/a 0.700n/an/an/an/a7.425



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
For in vitro method for measuring the inhibitory activity of the aforementioned compounds on the aurora A kinase activity was carried out referring t...


US Patent US10092556 (2018)


BindingDB Entry DOI: 10.7270/Q2ZG6V8B
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM155575
PNG
(US10092556, Example 28 | US9012475, 28 | US9346787...)
Show SMILES Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3F)c3nnc(C)o3)ccc2F)n[nH]1
Show InChI InChI=1S/C25H24ClF2N7O2/c1-14-12-20(33-31-14)30-22-19(27)7-6-16(29-22)13-25(24-34-32-15(2)37-24)8-10-35(11-9-25)23(36)17-4-3-5-18(26)21(17)28/h3-7,12H,8-11,13H2,1-2H3,(H2,29,30,31,33)
PDB
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/an/an/an/a7.425



TAIHO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
For in vitro method for measuring the inhibitory activity of the aforementioned compounds on the aurora A kinase activity was carried out referring t...


US Patent US9346787 (2016)


BindingDB Entry DOI: 10.7270/Q28K77Z2
More data for this
Ligand-Target Pair