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Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'kasahara' and Initial = 'c'   
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
Mitogen-activated protein kinase 13


(Homo sapiens (Human))
BDBM50396845
PNG
(CHEMBL2170294)
Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c2NC[C@@H](CO)Cn2nc1-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H22FN5O2/c1-15-4-2-3-5-20(15)30-21(32)11-10-19(27-30)22-23(17-6-8-18(25)9-7-17)28-29-13-16(14-31)12-26-24(22)29/h2-11,16,26,31H,12-14H2,1H3/t16-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MAPK p38alpha by Z'-LYTE assay


J Med Chem 55: 7772-85 (2012)


Article DOI: 10.1021/jm3008008
BindingDB Entry DOI: 10.7270/Q2QN67XZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50396845
PNG
(CHEMBL2170294)
Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c2NC[C@@H](CO)Cn2nc1-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H22FN5O2/c1-15-4-2-3-5-20(15)30-21(32)11-10-19(27-30)22-23(17-6-8-18(25)9-7-17)28-29-13-16(14-31)12-26-24(22)29/h2-11,16,26,31H,12-14H2,1H3/t16-/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MAPK p38beta by Z'-LYTE assay


J Med Chem 55: 7772-85 (2012)


Article DOI: 10.1021/jm3008008
BindingDB Entry DOI: 10.7270/Q2QN67XZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50396845
PNG
(CHEMBL2170294)
Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c2NC[C@@H](CO)Cn2nc1-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H22FN5O2/c1-15-4-2-3-5-20(15)30-21(32)11-10-19(27-30)22-23(17-6-8-18(25)9-7-17)28-29-13-16(14-31)12-26-24(22)29/h2-11,16,26,31H,12-14H2,1H3/t16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JNK2alpha2-mediated ATF-2 phosphorylation after 30 mins by immunoblotting method


J Med Chem 55: 7772-85 (2012)


Article DOI: 10.1021/jm3008008
BindingDB Entry DOI: 10.7270/Q2QN67XZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50396845
PNG
(CHEMBL2170294)
Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c2NC[C@@H](CO)Cn2nc1-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H22FN5O2/c1-15-4-2-3-5-20(15)30-21(32)11-10-19(27-30)22-23(17-6-8-18(25)9-7-17)28-29-13-16(14-31)12-26-24(22)29/h2-11,16,26,31H,12-14H2,1H3/t16-/m1/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 55: 7772-85 (2012)


Article DOI: 10.1021/jm3008008
BindingDB Entry DOI: 10.7270/Q2QN67XZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50390211
PNG
(CHEMBL2070134)
Show SMILES COc1cnc(nc1NCc1ccc(F)cc1C(F)(F)F)-c1ccccn1
Show InChI InChI=1S/C18H14F4N4O/c1-27-15-10-25-16(14-4-2-3-7-23-14)26-17(15)24-9-11-5-6-12(19)8-13(11)18(20,21)22/h2-8,10H,9H2,1H3,(H,24,25,26)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by Rb efflux assay


Bioorg Med Chem Lett 22: 5681-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.087
BindingDB Entry DOI: 10.7270/Q25X2B0C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50390210
PNG
(CHEMBL2070133)
Show SMILES COc1cnc(nc1NCc1c(F)cc(F)cc1F)-c1ccccn1
Show InChI InChI=1S/C17H13F3N4O/c1-25-15-9-23-16(14-4-2-3-5-21-14)24-17(15)22-8-11-12(19)6-10(18)7-13(11)20/h2-7,9H,8H2,1H3,(H,22,23,24)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by Rb efflux assay


Bioorg Med Chem Lett 22: 5681-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.087
BindingDB Entry DOI: 10.7270/Q25X2B0C
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50390209
PNG
(CHEMBL2070131)
Show SMILES COc1cnc(nc1NCc1ccccc1F)-c1ccccn1
Show InChI InChI=1S/C17H15FN4O/c1-23-15-11-21-16(14-8-4-5-9-19-14)22-17(15)20-10-12-6-2-3-7-13(12)18/h2-9,11H,10H2,1H3,(H,20,21,22)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by Rb efflux assay


Bioorg Med Chem Lett 22: 5681-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.087
BindingDB Entry DOI: 10.7270/Q25X2B0C
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50396845
PNG
(CHEMBL2170294)
Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c2NC[C@@H](CO)Cn2nc1-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H22FN5O2/c1-15-4-2-3-5-20(15)30-21(32)11-10-19(27-30)22-23(17-6-8-18(25)9-7-17)28-29-13-16(14-31)12-26-24(22)29/h2-11,16,26,31H,12-14H2,1H3/t16-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 55: 7772-85 (2012)


Article DOI: 10.1021/jm3008008
BindingDB Entry DOI: 10.7270/Q2QN67XZ
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50396845
PNG
(CHEMBL2170294)
Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c2NC[C@@H](CO)Cn2nc1-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H22FN5O2/c1-15-4-2-3-5-20(15)30-21(32)11-10-19(27-30)22-23(17-6-8-18(25)9-7-17)28-29-13-16(14-31)12-26-24(22)29/h2-11,16,26,31H,12-14H2,1H3/t16-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


J Med Chem 55: 7772-85 (2012)


Article DOI: 10.1021/jm3008008
BindingDB Entry DOI: 10.7270/Q2QN67XZ
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50396845
PNG
(CHEMBL2170294)
Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c2NC[C@@H](CO)Cn2nc1-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H22FN5O2/c1-15-4-2-3-5-20(15)30-21(32)11-10-19(27-30)22-23(17-6-8-18(25)9-7-17)28-29-13-16(14-31)12-26-24(22)29/h2-11,16,26,31H,12-14H2,1H3/t16-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


J Med Chem 55: 7772-85 (2012)


Article DOI: 10.1021/jm3008008
BindingDB Entry DOI: 10.7270/Q2QN67XZ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50396845
PNG
(CHEMBL2170294)
Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c2NC[C@@H](CO)Cn2nc1-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H22FN5O2/c1-15-4-2-3-5-20(15)30-21(32)11-10-19(27-30)22-23(17-6-8-18(25)9-7-17)28-29-13-16(14-31)12-26-24(22)29/h2-11,16,26,31H,12-14H2,1H3/t16-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 using midazolam as substrate


J Med Chem 55: 7772-85 (2012)


Article DOI: 10.1021/jm3008008
BindingDB Entry DOI: 10.7270/Q2QN67XZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50396845
PNG
(CHEMBL2170294)
Show SMILES Cc1ccccc1-n1nc(ccc1=O)-c1c2NC[C@@H](CO)Cn2nc1-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H22FN5O2/c1-15-4-2-3-5-20(15)30-21(32)11-10-19(27-30)22-23(17-6-8-18(25)9-7-17)28-29-13-16(14-31)12-26-24(22)29/h2-11,16,26,31H,12-14H2,1H3/t16-/m1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by Rb ion flux assay


J Med Chem 55: 7772-85 (2012)


Article DOI: 10.1021/jm3008008
BindingDB Entry DOI: 10.7270/Q2QN67XZ
More data for this
Ligand-Target Pair