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Compile Data Set for Download or QSAR

Found 289 hits with Last Name = 'koami' and Initial = 't'   
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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50305129
PNG
(6-(2-aminoethoxy)-2-(4-phenoxyphenyl)-9,10-dihydro...)
Show SMILES NCCOc1ccc2CCn3nc(c(C(N)=O)c3Nc2c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H25N5O3/c27-13-15-33-21-11-6-17-12-14-31-26(29-22(17)16-21)23(25(28)32)24(30-31)18-7-9-20(10-8-18)34-19-4-2-1-3-5-19/h1-11,16,29H,12-15,27H2,(H2,28,32)
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n/an/a 0.300n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LCK by scintillation counting

Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50305140
PNG
(7-(2-aminoethoxy)-2-(4-phenoxyphenyl)-9,10-dihydro...)
Show SMILES NCCOc1ccc2Nc3c(C(N)=O)c(nn3CCc2c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H25N5O3/c27-13-15-33-21-10-11-22-18(16-21)12-14-31-26(29-22)23(25(28)32)24(30-31)17-6-8-20(9-7-17)34-19-4-2-1-3-5-19/h1-11,16,29H,12-15,27H2,(H2,28,32)
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n/an/a 0.410n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LCK by scintillation counting

Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50305119
PNG
(7-(2-(dimethylamino)ethoxy)-2-(4-hydroxyphenyl)-9,...)
Show SMILES CN(C)CCOc1ccc2Nc3c(C(N)=O)c(nn3CCc2c1)-c1ccc(O)cc1
Show InChI InChI=1S/C22H25N5O3/c1-26(2)11-12-30-17-7-8-18-15(13-17)9-10-27-22(24-18)19(21(23)29)20(25-27)14-3-5-16(28)6-4-14/h3-8,13,24,28H,9-12H2,1-2H3,(H2,23,29)
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n/an/a 0.440n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LCK by scintillation counting

Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50305131
PNG
(6-(3-(dimethylamino)propoxy)-2-(4-phenoxyphenyl)-9...)
Show SMILES CN(C)CCCOc1ccc2CCn3nc(c(C(N)=O)c3Nc2c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C29H31N5O3/c1-33(2)16-6-18-36-24-14-9-20-15-17-34-29(31-25(20)19-24)26(28(30)35)27(32-34)21-10-12-23(13-11-21)37-22-7-4-3-5-8-22/h3-5,7-14,19,31H,6,15-18H2,1-2H3,(H2,30,35)
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n/an/a 0.510n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LCK by scintillation counting

Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50305139
PNG
(6-(2-(4-methylpiperazin-1-yl)ethoxy)-2-(4-phenoxyp...)
Show SMILES CN1CCN(CCOc2ccc3CCn4nc(c(C(N)=O)c4Nc3c2)-c2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C31H34N6O3/c1-35-15-17-36(18-16-35)19-20-39-26-12-7-22-13-14-37-31(33-27(22)21-26)28(30(32)38)29(34-37)23-8-10-25(11-9-23)40-24-5-3-2-4-6-24/h2-12,21,33H,13-20H2,1H3,(H2,32,38)
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n/an/a 0.550n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LCK by scintillation counting

Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50305117
PNG
(7-(2-morpholinoethoxy)-2-(4-phenoxyphenyl)-9,10-di...)
Show SMILES NC(=O)c1c2Nc3ccc(OCCN4CCOCC4)cc3CCn2nc1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C30H31N5O4/c31-29(36)27-28(21-6-8-24(9-7-21)39-23-4-2-1-3-5-23)33-35-13-12-22-20-25(10-11-26(22)32-30(27)35)38-19-16-34-14-17-37-18-15-34/h1-11,20,32H,12-19H2,(H2,31,36)
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n/an/a 0.560n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LCK by scintillation counting

Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50305126
PNG
(7-(2-(dimethylamino)ethoxy)-2-(4-phenoxyphenyl)-9,...)
Show SMILES CN(C)CCOc1ccc2Nc3c(C(N)=O)c(nn3CCc2c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C28H29N5O3/c1-32(2)16-17-35-23-12-13-24-20(18-23)14-15-33-28(30-24)25(27(29)34)26(31-33)19-8-10-22(11-9-19)36-21-6-4-3-5-7-21/h3-13,18,30H,14-17H2,1-2H3,(H2,29,34)
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n/an/a 0.600n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of SRC

Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50305126
PNG
(7-(2-(dimethylamino)ethoxy)-2-(4-phenoxyphenyl)-9,...)
Show SMILES CN(C)CCOc1ccc2Nc3c(C(N)=O)c(nn3CCc2c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C28H29N5O3/c1-32(2)16-17-35-23-12-13-24-20(18-23)14-15-33-28(30-24)25(27(29)34)26(31-33)19-8-10-22(11-9-19)36-21-6-4-3-5-7-21/h3-13,18,30H,14-17H2,1-2H3,(H2,29,34)
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n/an/a 0.720n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LCK by scintillation counting

Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50305142
PNG
(7-(2-hydroxyethoxy)-2-(4-phenoxyphenyl)-9,10-dihyd...)
Show SMILES NC(=O)c1c2Nc3ccc(OCCO)cc3CCn2nc1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H24N4O4/c27-25(32)23-24(17-6-8-20(9-7-17)34-19-4-2-1-3-5-19)29-30-13-12-18-16-21(33-15-14-31)10-11-22(18)28-26(23)30/h1-11,16,28,31H,12-15H2,(H2,27,32)
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n/an/a 0.75n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LCK by scintillation counting

Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50305138
PNG
(6-(2-morpholinoethoxy)-2-(4-phenoxyphenyl)-9,10-di...)
Show SMILES NC(=O)c1c2Nc3cc(OCCN4CCOCC4)ccc3CCn2nc1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C30H31N5O4/c31-29(36)27-28(22-7-9-24(10-8-22)39-23-4-2-1-3-5-23)33-35-13-12-21-6-11-25(20-26(21)32-30(27)35)38-19-16-34-14-17-37-18-15-34/h1-11,20,32H,12-19H2,(H2,31,36)
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n/an/a 0.770n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LCK by scintillation counting

Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50305121
PNG
(7-(2-(dimethylamino)ethoxy)-2-(4-(phenylamino)phen...)
Show SMILES CN(C)CCOc1ccc2Nc3c(C(N)=O)c(nn3CCc2c1)-c1ccc(Nc2ccccc2)cc1
Show InChI InChI=1S/C28H30N6O2/c1-33(2)16-17-36-23-12-13-24-20(18-23)14-15-34-28(31-24)25(27(29)35)26(32-34)19-8-10-22(11-9-19)30-21-6-4-3-5-7-21/h3-13,18,30-31H,14-17H2,1-2H3,(H2,29,35)
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n/an/a 0.800n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LCK by scintillation counting

Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50305125
PNG
(2-(4-(3-(2,6-dichlorophenyl)ureido)phenyl)-7-(2-(d...)
Show SMILES CN(C)CCOc1ccc2Nc3c(C(N)=O)c(nn3CCc2c1)-c1ccc(NC(=O)Nc2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C29H29Cl2N7O3/c1-37(2)14-15-41-20-10-11-23-18(16-20)12-13-38-28(34-23)24(27(32)39)25(36-38)17-6-8-19(9-7-17)33-29(40)35-26-21(30)4-3-5-22(26)31/h3-11,16,34H,12-15H2,1-2H3,(H2,32,39)(H2,33,35,40)
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n/an/a 0.940n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LCK by scintillation counting

Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50305141
PNG
(7-(3-(dimethylamino)propoxy)-2-(4-phenoxyphenyl)-9...)
Show SMILES CN(C)CCCOc1ccc2Nc3c(C(N)=O)c(nn3CCc2c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C29H31N5O3/c1-33(2)16-6-18-36-24-13-14-25-21(19-24)15-17-34-29(31-25)26(28(30)35)27(32-34)20-9-11-23(12-10-20)37-22-7-4-3-5-8-22/h3-5,7-14,19,31H,6,15-18H2,1-2H3,(H2,30,35)
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n/an/a 1n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LCK by scintillation counting

Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50305122
PNG
(2-(4-(2,6-dichlorobenzylamino)phenyl)-7-(2-(dimeth...)
Show SMILES CN(C)CCOc1ccc2Nc3c(C(N)=O)c(nn3CCc2c1)-c1ccc(NCc2c(Cl)cccc2Cl)cc1
Show InChI InChI=1S/C29H30Cl2N6O2/c1-36(2)14-15-39-21-10-11-25-19(16-21)12-13-37-29(34-25)26(28(32)38)27(35-37)18-6-8-20(9-7-18)33-17-22-23(30)4-3-5-24(22)31/h3-11,16,33-34H,12-15,17H2,1-2H3,(H2,32,38)
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n/an/a 1n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LCK by scintillation counting

Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50305135
PNG
(2-(3-carbamoyl-2-(4-phenoxyphenyl)-9,10-dihydro-4H...)
Show SMILES NC(=O)c1c2Nc3cc(OCC(O)=O)ccc3CCn2nc1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H22N4O5/c27-25(33)23-24(17-7-9-19(10-8-17)35-18-4-2-1-3-5-18)29-30-13-12-16-6-11-20(34-15-22(31)32)14-21(16)28-26(23)30/h1-11,14,28H,12-13,15H2,(H2,27,33)(H,31,32)
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n/an/a 1n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LCK by scintillation counting

Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50305118
PNG
(7-(2-(4-methylpiperazin-1-yl)ethoxy)-2-(4-phenoxyp...)
Show SMILES CN1CCN(CCOc2ccc3Nc4c(C(N)=O)c(nn4CCc3c2)-c2ccc(Oc3ccccc3)cc2)CC1
Show InChI InChI=1S/C31H34N6O3/c1-35-15-17-36(18-16-35)19-20-39-26-11-12-27-23(21-26)13-14-37-31(33-27)28(30(32)38)29(34-37)22-7-9-25(10-8-22)40-24-5-3-2-4-6-24/h2-12,21,33H,13-20H2,1H3,(H2,32,38)
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n/an/a 1.10n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LCK by scintillation counting

Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50305143
PNG
(7-(2-amino-2-oxoethoxy)-2-(4-phenoxyphenyl)-9,10-d...)
Show SMILES NC(=O)COc1ccc2Nc3c(C(N)=O)c(nn3CCc2c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H23N5O4/c27-22(32)15-34-20-10-11-21-17(14-20)12-13-31-26(29-21)23(25(28)33)24(30-31)16-6-8-19(9-7-16)35-18-4-2-1-3-5-18/h1-11,14,29H,12-13,15H2,(H2,27,32)(H2,28,33)
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n/an/a 1.20n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LCK by scintillation counting

Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50305130
PNG
(6-(2-(dimethylamino)ethoxy)-2-(4-phenoxyphenyl)-9,...)
Show SMILES CN(C)CCOc1ccc2CCn3nc(c(C(N)=O)c3Nc2c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C28H29N5O3/c1-32(2)16-17-35-23-13-8-19-14-15-33-28(30-24(19)18-23)25(27(29)34)26(31-33)20-9-11-22(12-10-20)36-21-6-4-3-5-7-21/h3-13,18,30H,14-17H2,1-2H3,(H2,29,34)
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n/an/a 1.20n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LCK by scintillation counting

Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50305132
PNG
(6-(2-hydroxyethoxy)-2-(4-phenoxyphenyl)-9,10-dihyd...)
Show SMILES NC(=O)c1c2Nc3cc(OCCO)ccc3CCn2nc1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H24N4O4/c27-25(32)23-24(18-7-9-20(10-8-18)34-19-4-2-1-3-5-19)29-30-13-12-17-6-11-21(33-15-14-31)16-22(17)28-26(23)30/h1-11,16,28,31H,12-15H2,(H2,27,32)
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LCK by scintillation counting

Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50305134
PNG
(6-(2-amino-2-oxoethoxy)-2-(4-phenoxyphenyl)-9,10-d...)
Show SMILES NC(=O)COc1ccc2CCn3nc(c(C(N)=O)c3Nc2c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C26H23N5O4/c27-22(32)15-34-20-11-6-16-12-13-31-26(29-21(16)14-20)23(25(28)33)24(30-31)17-7-9-19(10-8-17)35-18-4-2-1-3-5-18/h1-11,14,29H,12-13,15H2,(H2,27,32)(H2,28,33)
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LCK by scintillation counting

Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))		BDBM50305126
PNG
(7-(2-(dimethylamino)ethoxy)-2-(4-phenoxyphenyl)-9,...)
Show SMILES CN(C)CCOc1ccc2Nc3c(C(N)=O)c(nn3CCc2c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C28H29N5O3/c1-32(2)16-17-35-23-12-13-24-20(18-23)14-15-33-28(30-24)25(27(29)34)26(31-33)19-8-10-22(11-9-19)36-21-6-4-3-5-7-21/h3-13,18,30H,14-17H2,1-2H3,(H2,29,34)
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n/an/a 1.70n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Csk

Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50305123
PNG
(CHEMBL595625 | benzyl 4-(3-carbamoyl-7-(2-(dimethy...)
Show SMILES CN(C)CCOc1ccc2Nc3c(C(N)=O)c(nn3CCc2c1)-c1ccc(NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C30H32N6O4/c1-35(2)16-17-39-24-12-13-25-22(18-24)14-15-36-29(33-25)26(28(31)37)27(34-36)21-8-10-23(11-9-21)32-30(38)40-19-20-6-4-3-5-7-20/h3-13,18,33H,14-17,19H2,1-2H3,(H2,31,37)(H,32,38)
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n/an/a 2n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LCK by scintillation counting

Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50305128
PNG
(7-methoxy-2-(4-phenoxyphenyl)-9,10-dihydro-4H-benz...)
Show SMILES COc1ccc2Nc3c(C(N)=O)c(nn3CCc2c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H22N4O3/c1-31-20-11-12-21-17(15-20)13-14-29-25(27-21)22(24(26)30)23(28-29)16-7-9-19(10-8-16)32-18-5-3-2-4-6-18/h2-12,15,27H,13-14H2,1H3,(H2,26,30)
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LCK by scintillation counting

Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50305124
PNG
(7-(2-(dimethylamino)ethoxy)-2-(4-(3-phenylureido)p...)
Show SMILES CN(C)CCOc1ccc2Nc3c(C(N)=O)c(nn3CCc2c1)-c1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C29H31N7O3/c1-35(2)16-17-39-23-12-13-24-20(18-23)14-15-36-28(33-24)25(27(30)37)26(34-36)19-8-10-22(11-9-19)32-29(38)31-21-6-4-3-5-7-21/h3-13,18,33H,14-17H2,1-2H3,(H2,30,37)(H2,31,32,38)
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n/an/a 2.30n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LCK by scintillation counting

Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50402166
PNG
(CHEMBL2207988)
Show SMILES Cc1csc(n1)-c1[nH]cnc1-c1ccc2ncsc2c1
Show InChI InChI=1S/C14H10N4S2/c1-8-5-19-14(18-8)13-12(15-6-16-13)9-2-3-10-11(4-9)20-7-17-10/h2-7H,1H3,(H,15,16)
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n/an/a 2.70n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 using GST-tagged Smad3 as substrate assessed as substrate phosphorylation after 30 mins by ELISA

Bioorg Med Chem 20: 7128-38 (2012)


Article DOI: 10.1016/j.bmc.2012.09.066
BindingDB Entry DOI: 10.7270/Q2542PQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50305145
PNG
(2-(4-phenoxyphenyl)-7-(pyridin-3-ylmethoxy)-9,10-d...)
Show SMILES NC(=O)c1c2Nc3ccc(OCc4cccnc4)cc3CCn2nc1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C30H25N5O3/c31-29(36)27-28(21-8-10-24(11-9-21)38-23-6-2-1-3-7-23)34-35-16-14-22-17-25(12-13-26(22)33-30(27)35)37-19-20-5-4-15-32-18-20/h1-13,15,17-18,33H,14,16,19H2,(H2,31,36)
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n/an/a 2.80n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LCK by scintillation counting

Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50381818
PNG
(CHEMBL2023644)
Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c2ccccc12
Show InChI InChI=1S/C25H17ClN2O4/c26-18-5-3-4-16(12-18)25(32)28-19-10-8-15(9-11-19)24(31)23-21-7-2-1-6-20(21)17(14-27-23)13-22(29)30/h1-12,14H,13H2,(H,28,32)(H,29,30)
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n/an/a 3.20n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis

Bioorg Med Chem 21: 7674-85 (2013)


Article DOI: 10.1016/j.bmc.2013.10.025
BindingDB Entry DOI: 10.7270/Q2542Q2W
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50381818
PNG
(CHEMBL2023644)
Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c2ccccc12
Show InChI InChI=1S/C25H17ClN2O4/c26-18-5-3-4-16(12-18)25(32)28-19-10-8-15(9-11-19)24(31)23-21-7-2-1-6-20(21)17(14-27-23)13-22(29)30/h1-12,14H,13H2,(H,28,32)(H,29,30)
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n/an/a 3.20n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of 3H-PGD2 from human CRTH2 receptor expressed in CHO cells

Bioorg Med Chem Lett 22: 3305-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50381815
PNG
(CHEMBL2023641)
Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)c2ccccc12
Show InChI InChI=1S/C27H19N3O4/c31-24(32)14-18-15-28-25(21-7-3-2-6-20(18)21)26(33)16-9-11-19(12-10-16)29-27(34)23-13-17-5-1-4-8-22(17)30-23/h1-13,15,30H,14H2,(H,29,34)(H,31,32)
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of 3H-PGD2 from human CRTH2 receptor expressed in CHO cells

Bioorg Med Chem Lett 22: 3305-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50381819
PNG
(CHEMBL2023645)
Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c2ccccc12
Show InChI InChI=1S/C25H17ClN2O4/c26-18-9-5-16(6-10-18)25(32)28-19-11-7-15(8-12-19)24(31)23-21-4-2-1-3-20(21)17(14-27-23)13-22(29)30/h1-12,14H,13H2,(H,28,32)(H,29,30)
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n/an/a 3.40n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of 3H-PGD2 from human CRTH2 receptor expressed in CHO cells

Bioorg Med Chem Lett 22: 3305-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50381819
PNG
(CHEMBL2023645)
Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c2ccccc12
Show InChI InChI=1S/C25H17ClN2O4/c26-18-9-5-16(6-10-18)25(32)28-19-11-7-15(8-12-19)24(31)23-21-4-2-1-3-20(21)17(14-27-23)13-22(29)30/h1-12,14H,13H2,(H,28,32)(H,29,30)
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis

Bioorg Med Chem 21: 7674-85 (2013)


Article DOI: 10.1016/j.bmc.2013.10.025
BindingDB Entry DOI: 10.7270/Q2542Q2W
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50381815
PNG
(CHEMBL2023641)
Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)c2ccccc12
Show InChI InChI=1S/C27H19N3O4/c31-24(32)14-18-15-28-25(21-7-3-2-6-20(18)21)26(33)16-9-11-19(12-10-16)29-27(34)23-13-17-5-1-4-8-22(17)30-23/h1-13,15,30H,14H2,(H,29,34)(H,31,32)
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis

Bioorg Med Chem 21: 7674-85 (2013)


Article DOI: 10.1016/j.bmc.2013.10.025
BindingDB Entry DOI: 10.7270/Q2542Q2W
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50444231
PNG
(CHEMBL3093591)
Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(cc2)C(=O)NCCc2ccc(Cl)c(Cl)c2)c2ccccc12
Show InChI InChI=1S/C27H20Cl2N2O4/c28-22-10-5-16(13-23(22)29)11-12-30-27(35)18-8-6-17(7-9-18)26(34)25-21-4-2-1-3-20(21)19(15-31-25)14-24(32)33/h1-10,13,15H,11-12,14H2,(H,30,35)(H,32,33)
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n/an/a 3.70n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis

Bioorg Med Chem 21: 7674-85 (2013)


Article DOI: 10.1016/j.bmc.2013.10.025
BindingDB Entry DOI: 10.7270/Q2542Q2W
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50444223
PNG
(CHEMBL3093607)
Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)c2ccccc12
Show InChI InChI=1S/C27H18N2O5/c30-24(31)14-18-15-28-25(21-7-3-2-6-20(18)21)26(32)16-9-11-19(12-10-16)29-27(33)23-13-17-5-1-4-8-22(17)34-23/h1-13,15H,14H2,(H,29,33)(H,30,31)
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n/an/a 3.80n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis

Bioorg Med Chem 21: 7674-85 (2013)


Article DOI: 10.1016/j.bmc.2013.10.025
BindingDB Entry DOI: 10.7270/Q2542Q2W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50305120
PNG
(2-(4-aminophenyl)-7-(2-(dimethylamino)ethoxy)-9,10...)
Show SMILES CN(C)CCOc1ccc2Nc3c(C(N)=O)c(nn3CCc2c1)-c1ccc(N)cc1
Show InChI InChI=1S/C22H26N6O2/c1-27(2)11-12-30-17-7-8-18-15(13-17)9-10-28-22(25-18)19(21(24)29)20(26-28)14-3-5-16(23)6-4-14/h3-8,13,25H,9-12,23H2,1-2H3,(H2,24,29)
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n/an/a 3.90n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LCK by scintillation counting

Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50305136
PNG
(6-(2-oxopropoxy)-2-(4-phenoxyphenyl)-9,10-dihydro-...)
Show SMILES CC(=O)COc1ccc2CCn3nc(c(C(N)=O)c3Nc2c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H24N4O4/c1-17(32)16-34-22-12-7-18-13-14-31-27(29-23(18)15-22)24(26(28)33)25(30-31)19-8-10-21(11-9-19)35-20-5-3-2-4-6-20/h2-12,15,29H,13-14,16H2,1H3,(H2,28,33)
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n/an/a 3.90n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LCK by scintillation counting

Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50381814
PNG
(CHEMBL2023640)
Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)c2ccccc12
Show InChI InChI=1S/C29H20N2O4/c32-26(33)16-22-17-30-27(25-8-4-3-7-24(22)25)28(34)19-11-13-23(14-12-19)31-29(35)21-10-9-18-5-1-2-6-20(18)15-21/h1-15,17H,16H2,(H,31,35)(H,32,33)
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n/an/a 4n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of 3H-PGD2 from human CRTH2 receptor expressed in CHO cells

Bioorg Med Chem Lett 22: 3305-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50381814
PNG
(CHEMBL2023640)
Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)c2ccccc12
Show InChI InChI=1S/C29H20N2O4/c32-26(33)16-22-17-30-27(25-8-4-3-7-24(22)25)28(34)19-11-13-23(14-12-19)31-29(35)21-10-9-18-5-1-2-6-20(18)15-21/h1-15,17H,16H2,(H,31,35)(H,32,33)
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n/an/a 4n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis

Bioorg Med Chem 21: 7674-85 (2013)


Article DOI: 10.1016/j.bmc.2013.10.025
BindingDB Entry DOI: 10.7270/Q2542Q2W
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50381825
PNG
(CHEMBL2023651)
Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)\C=C\c3ccc(Cl)c(Cl)c3)cc2)c2ccccc12
Show InChI InChI=1S/C27H18Cl2N2O4/c28-22-11-5-16(13-23(22)29)6-12-24(32)31-19-9-7-17(8-10-19)27(35)26-21-4-2-1-3-20(21)18(15-30-26)14-25(33)34/h1-13,15H,14H2,(H,31,32)(H,33,34)/b12-6+
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n/an/a 4n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of 3H-PGD2 from human CRTH2 receptor expressed in CHO cells

Bioorg Med Chem Lett 22: 3305-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50381825
PNG
(CHEMBL2023651)
Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)\C=C\c3ccc(Cl)c(Cl)c3)cc2)c2ccccc12
Show InChI InChI=1S/C27H18Cl2N2O4/c28-22-11-5-16(13-23(22)29)6-12-24(32)31-19-9-7-17(8-10-19)27(35)26-21-4-2-1-3-20(21)18(15-30-26)14-25(33)34/h1-13,15H,14H2,(H,31,32)(H,33,34)/b12-6+
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n/an/a 4n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis

Bioorg Med Chem 21: 7674-85 (2013)


Article DOI: 10.1016/j.bmc.2013.10.025
BindingDB Entry DOI: 10.7270/Q2542Q2W
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50381815
PNG
(CHEMBL2023641)
Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)c2ccccc12
Show InChI InChI=1S/C27H19N3O4/c31-24(32)14-18-15-28-25(21-7-3-2-6-20(18)21)26(33)16-9-11-19(12-10-16)29-27(34)23-13-17-5-1-4-8-22(17)30-23/h1-13,15,30H,14H2,(H,29,34)(H,31,32)
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n/an/a 4.20n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 transfected in human KB8 cells assessed as inhibition of PGD2-induced increase in intracellular Ca2+ by fluo-4AM d...

Bioorg Med Chem 21: 7674-85 (2013)


Article DOI: 10.1016/j.bmc.2013.10.025
BindingDB Entry DOI: 10.7270/Q2542Q2W
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50402175
PNG
(CHEMBL2208016)
Show SMILES CCOC(=O)NCc1nc(c([nH]1)-c1nc(C)cs1)-c1ccc2ncsc2c1
Show InChI InChI=1S/C18H17N5O2S2/c1-3-25-18(24)19-7-14-22-15(16(23-14)17-21-10(2)8-26-17)11-4-5-12-13(6-11)27-9-20-12/h4-6,8-9H,3,7H2,1-2H3,(H,19,24)(H,22,23)
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n/an/a 4.5n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 using GST-tagged Smad3 as substrate assessed as substrate phosphorylation after 30 mins by ELISA

Bioorg Med Chem 20: 7128-38 (2012)


Article DOI: 10.1016/j.bmc.2012.09.066
BindingDB Entry DOI: 10.7270/Q2542PQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50305127
PNG
(6-methoxy-2-(4-phenoxyphenyl)-9,10-dihydro-4H-benz...)
Show SMILES COc1ccc2CCn3nc(c(C(N)=O)c3Nc2c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H22N4O3/c1-31-20-12-7-16-13-14-29-25(27-21(16)15-20)22(24(26)30)23(28-29)17-8-10-19(11-9-17)32-18-5-3-2-4-6-18/h2-12,15,27H,13-14H2,1H3,(H2,26,30)
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n/an/a 4.80n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LCK by scintillation counting

Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50381821
PNG
(CHEMBL2023647)
Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc(cc3)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C26H17F3N2O4/c27-26(28,29)18-9-5-16(6-10-18)25(35)31-19-11-7-15(8-12-19)24(34)23-21-4-2-1-3-20(21)17(14-30-23)13-22(32)33/h1-12,14H,13H2,(H,31,35)(H,32,33)
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n/an/a 4.90n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of 3H-PGD2 from human CRTH2 receptor expressed in CHO cells

Bioorg Med Chem Lett 22: 3305-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.009
BindingDB Entry DOI: 10.7270/Q2KS6SK7
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50381821
PNG
(CHEMBL2023647)
Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3ccc(cc3)C(F)(F)F)cc2)c2ccccc12
Show InChI InChI=1S/C26H17F3N2O4/c27-26(28,29)18-9-5-16(6-10-18)25(35)31-19-11-7-15(8-12-19)24(34)23-21-4-2-1-3-20(21)17(14-30-23)13-22(32)33/h1-12,14H,13H2,(H,31,35)(H,32,33)
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n/an/a 4.90n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis

Bioorg Med Chem 21: 7674-85 (2013)


Article DOI: 10.1016/j.bmc.2013.10.025
BindingDB Entry DOI: 10.7270/Q2542Q2W
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50444233
PNG
(CHEMBL3093589)
Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)OCc3ccc(Cl)c(Cl)c3)cc2)c2ccccc12
Show InChI InChI=1S/C26H18Cl2N2O5/c27-21-10-5-15(11-22(21)28)14-35-26(34)30-18-8-6-16(7-9-18)25(33)24-20-4-2-1-3-19(20)17(13-29-24)12-23(31)32/h1-11,13H,12,14H2,(H,30,34)(H,31,32)
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n/an/a 5.20n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 transfected in human KB8 cells assessed as inhibition of PGD2-induced increase in intracellular Ca2+ by fluo-4AM d...

Bioorg Med Chem 21: 7674-85 (2013)


Article DOI: 10.1016/j.bmc.2013.10.025
BindingDB Entry DOI: 10.7270/Q2542Q2W
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))		BDBM50444219
PNG
(CHEMBL3093594)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)c1ncc(CC(O)=O)c2ccccc12
Show InChI InChI=1S/C26H20N2O4/c1-16-6-8-18(9-7-16)26(32)28-20-12-10-17(11-13-20)25(31)24-22-5-3-2-4-21(22)19(15-27-24)14-23(29)30/h2-13,15H,14H2,1H3,(H,28,32)(H,29,30)
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n/an/a 5.20n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis

Bioorg Med Chem 21: 7674-85 (2013)


Article DOI: 10.1016/j.bmc.2013.10.025
BindingDB Entry DOI: 10.7270/Q2542Q2W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50305144
PNG
(2-(4-phenoxyphenyl)-7-(pyridin-2-ylmethoxy)-9,10-d...)
Show SMILES NC(=O)c1c2Nc3ccc(OCc4ccccn4)cc3CCn2nc1-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C30H25N5O3/c31-29(36)27-28(20-9-11-24(12-10-20)38-23-7-2-1-3-8-23)34-35-17-15-21-18-25(13-14-26(21)33-30(27)35)37-19-22-6-4-5-16-32-22/h1-14,16,18,33H,15,17,19H2,(H2,31,36)
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n/an/a 5.40n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LCK by scintillation counting

Bioorg Med Chem Lett 20: 112-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.013
BindingDB Entry DOI: 10.7270/Q22Z15NV
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50402168
PNG
(CHEMBL2208237)
Show SMILES CC(C)COC(=O)NCc1nc(c([nH]1)-c1nc(C)cs1)-c1ccc2ncsc2c1
Show InChI InChI=1S/C20H21N5O2S2/c1-11(2)8-27-20(26)21-7-16-24-17(18(25-16)19-23-12(3)9-28-19)13-4-5-14-15(6-13)29-10-22-14/h4-6,9-11H,7-8H2,1-3H3,(H,21,26)(H,24,25)
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n/an/a 5.5n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 using GST-tagged Smad3 as substrate assessed as substrate phosphorylation after 30 mins by ELISA

Bioorg Med Chem 20: 7128-38 (2012)


Article DOI: 10.1016/j.bmc.2012.09.066
BindingDB Entry DOI: 10.7270/Q2542PQ0
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))		BDBM50402158
PNG
(CHEMBL2207996)
Show SMILES Cc1csc(n1)-c1[nH]c(nc1-c1ccc2ncsc2c1)C(F)(F)F
Show InChI InChI=1S/C15H9F3N4S2/c1-7-5-23-13(20-7)12-11(21-14(22-12)15(16,17)18)8-2-3-9-10(4-8)24-6-19-9/h2-6H,1H3,(H,21,22)
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n/an/a 5.80n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ALK5 using GST-tagged Smad3 as substrate assessed as substrate phosphorylation after 30 mins by ELISA

Bioorg Med Chem 20: 7128-38 (2012)


Article DOI: 10.1016/j.bmc.2012.09.066
BindingDB Entry DOI: 10.7270/Q2542PQ0
More data for this
Ligand-Target Pair
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