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BDBM155565 US10092556, Example 1::US9012475, 1::US9346787, 1

SMILES: Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3Cl)C(O)=O)ccc2F)n[nH]1

InChI Key: InChIKey=PLAVWQHGBMTMFR-UHFFFAOYSA-N

Data: 6 IC50

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 = 155565   
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))
BDBM155565
PNG
(US10092556, Example 1 | US9012475, 1 | US9346787, ...)
Show SMILES Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3Cl)C(O)=O)ccc2F)n[nH]1
Show InChI InChI=1S/C23H22Cl2FN5O3/c1-13-11-18(30-29-13)28-20-17(26)6-5-14(27-20)12-23(22(33)34)7-9-31(10-8-23)21(32)15-3-2-4-16(24)19(15)25/h2-6,11H,7-10,12H2,1H3,(H,33,34)(H2,27,28,29,30)
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US Patent
n/an/a 0.400n/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))
BDBM155565
PNG
(US10092556, Example 1 | US9012475, 1 | US9346787, ...)
Show SMILES Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3Cl)C(O)=O)ccc2F)n[nH]1
Show InChI InChI=1S/C23H22Cl2FN5O3/c1-13-11-18(30-29-13)28-20-17(26)6-5-14(27-20)12-23(22(33)34)7-9-31(10-8-23)21(32)15-3-2-4-16(24)19(15)25/h2-6,11H,7-10,12H2,1H3,(H,33,34)(H2,27,28,29,30)
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US Patent
n/an/a 140n/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))
BDBM155565
PNG
(US10092556, Example 1 | US9012475, 1 | US9346787, ...)
Show SMILES Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3Cl)C(O)=O)ccc2F)n[nH]1
Show InChI InChI=1S/C23H22Cl2FN5O3/c1-13-11-18(30-29-13)28-20-17(26)6-5-14(27-20)12-23(22(33)34)7-9-31(10-8-23)21(32)15-3-2-4-16(24)19(15)25/h2-6,11H,7-10,12H2,1H3,(H,33,34)(H2,27,28,29,30)
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US Patent
n/an/a 140n/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))
BDBM155565
PNG
(US10092556, Example 1 | US9012475, 1 | US9346787, ...)
Show SMILES Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3Cl)C(O)=O)ccc2F)n[nH]1
Show InChI InChI=1S/C23H22Cl2FN5O3/c1-13-11-18(30-29-13)28-20-17(26)6-5-14(27-20)12-23(22(33)34)7-9-31(10-8-23)21(32)15-3-2-4-16(24)19(15)25/h2-6,11H,7-10,12H2,1H3,(H,33,34)(H2,27,28,29,30)
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US Patent
n/an/a 140n/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))
BDBM155565
PNG
(US10092556, Example 1 | US9012475, 1 | US9346787, ...)
Show SMILES Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3Cl)C(O)=O)ccc2F)n[nH]1
Show InChI InChI=1S/C23H22Cl2FN5O3/c1-13-11-18(30-29-13)28-20-17(26)6-5-14(27-20)12-23(22(33)34)7-9-31(10-8-23)21(32)15-3-2-4-16(24)19(15)25/h2-6,11H,7-10,12H2,1H3,(H,33,34)(H2,27,28,29,30)
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US Patent
n/an/a 0.400n/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))
BDBM155565
PNG
(US10092556, Example 1 | US9012475, 1 | US9346787, ...)
Show SMILES Cc1cc(Nc2nc(CC3(CCN(CC3)C(=O)c3cccc(Cl)c3Cl)C(O)=O)ccc2F)n[nH]1
Show InChI InChI=1S/C23H22Cl2FN5O3/c1-13-11-18(30-29-13)28-20-17(26)6-5-14(27-20)12-23(22(33)34)7-9-31(10-8-23)21(32)15-3-2-4-16(24)19(15)25/h2-6,11H,7-10,12H2,1H3,(H,33,34)(H2,27,28,29,30)
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US Patent
n/an/a 0.400n/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