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Compile Data Set for Download or QSAR

Found 187 hits with Last Name = 'wada' and Initial = 'r'   
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
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50362835
PNG
(CHEMBL1940400)
Show SMILES COc1cc(O)ccc1\C=C\C(=O)OCCCc1cccc(O)c1
Show InChI InChI=1S/C19H20O5/c1-23-18-13-17(21)9-7-15(18)8-10-19(22)24-11-3-5-14-4-2-6-16(20)12-14/h2,4,6-10,12-13,20-21H,3,5,11H2,1H3/b10-8+
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2.60n/an/an/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Competitive inhibition at human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as inhibition of NADP+ lin...


Eur J Med Chem 48: 321-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.034
BindingDB Entry DOI: 10.7270/Q2TT4RDB
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50029207
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethy...)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O
Show InChI InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+
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46n/an/an/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Mixed-type inhibition at human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as inhibition of NADP+ link...


Eur J Med Chem 48: 321-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.034
BindingDB Entry DOI: 10.7270/Q2TT4RDB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine racemase


(Homo sapiens (Human))
BDBM50055467
PNG
(CHEBI:17576 | CHEMBL3317781)
Show SMILES N[C@@H]([C@@H](O)C(O)=O)C(O)=O |r|
Show InChI InChI=1/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2+/s2
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1.10E+4n/an/an/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Binding affinity to serine recemase (unknown origin)


Bioorg Med Chem Lett 24: 3732-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.003
BindingDB Entry DOI: 10.7270/Q2PR7XNR
More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens (Human))
BDBM14673
PNG
(Fragment 3 | Malonic Acid | propanedioic acid)
Show SMILES OC(=O)CC(O)=O
Show InChI InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
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3.30E+4n/an/an/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Binding affinity to serine recemase (unknown origin)


Bioorg Med Chem Lett 24: 3732-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.003
BindingDB Entry DOI: 10.7270/Q2PR7XNR
More data for this
Ligand-Target Pair
Serine racemase


(Homo sapiens (Human))
BDBM18133
PNG
(2-aminoacetic acid | CHEMBL773 | Glycine | [14C]Gl...)
Show SMILES NCC(O)=O
Show InChI InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
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3.66E+5n/an/an/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Binding affinity to serine recemase (unknown origin)


Bioorg Med Chem Lett 24: 3732-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.003
BindingDB Entry DOI: 10.7270/Q2PR7XNR
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(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
TGF-beta receptor type I


(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
TGF-beta receptor type I


(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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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 I


(Homo sapiens (Human))
BDBM50402165
PNG
(CHEMBL2207989)
Show SMILES Cc1csc(n1)-c1[nH]c(C)nc1-c1ccc2ncsc2c1
Show InChI InChI=1S/C15H12N4S2/c1-8-6-20-15(17-8)14-13(18-9(2)19-14)10-3-4-11-12(5-10)21-7-16-11/h3-7H,1-2H3,(H,18,19)
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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 I


(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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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
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50362835
PNG
(CHEMBL1940400)
Show SMILES COc1cc(O)ccc1\C=C\C(=O)OCCCc1cccc(O)c1
Show InChI InChI=1S/C19H20O5/c1-23-18-13-17(21)9-7-15(18)8-10-19(22)24-11-3-5-14-4-2-6-16(20)12-14/h2,4,6-10,12-13,20-21H,3,5,11H2,1H3/b10-8+
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n/an/a 6.20n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by sp...


Eur J Med Chem 48: 321-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.034
BindingDB Entry DOI: 10.7270/Q2TT4RDB
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50402159
PNG
(CHEMBL2207995)
Show SMILES CCCCCCc1nc(c([nH]1)-c1nc(C)cs1)-c1ccc2ncsc2c1
Show InChI InChI=1S/C20H22N4S2/c1-3-4-5-6-7-17-23-18(19(24-17)20-22-13(2)11-25-20)14-8-9-15-16(10-14)26-12-21-15/h8-12H,3-7H2,1-2H3,(H,23,24)
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n/an/a 7n/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 I


(Homo sapiens (Human))
BDBM50402144
PNG
(CHEMBL2208011)
Show SMILES CCNC(=O)OCc1nc(c([nH]1)-c1nc(C)cs1)-c1ccc2ncsc2c1
Show InChI InChI=1S/C18H17N5O2S2/c1-3-19-18(24)25-7-14-22-15(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 7.20n/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 I


(Homo sapiens (Human))
BDBM50402172
PNG
(CHEMBL2208019)
Show SMILES CCCOC(=O)NCc1nc(c([nH]1)-c1nc(C)cs1)-c1ccc2ncsc2c1
Show InChI InChI=1S/C19H19N5O2S2/c1-3-6-26-19(25)20-8-15-23-16(17(24-15)18-22-11(2)9-27-18)12-4-5-13-14(7-12)28-10-21-13/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,20,25)(H,23,24)
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n/an/a 7.30n/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 I


(Homo sapiens (Human))
BDBM50402173
PNG
(CHEMBL2208018)
Show SMILES COC(=O)NCc1nc(c([nH]1)-c1nc(C)cs1)-c1ccc2ncsc2c1
Show InChI InChI=1S/C17H15N5O2S2/c1-9-7-25-16(20-9)15-14(21-13(22-15)6-18-17(23)24-2)10-3-4-11-12(5-10)26-8-19-11/h3-5,7-8H,6H2,1-2H3,(H,18,23)(H,21,22)
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n/an/a 7.70n/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
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50402174
PNG
(CHEMBL2208017)
Show SMILES Cc1csc(n1)-c1[nH]c(CN2CCOC2=O)nc1-c1ccc2ncsc2c1
Show InChI InChI=1S/C18H15N5O2S2/c1-10-8-26-17(20-10)16-15(11-2-3-12-13(6-11)27-9-19-12)21-14(22-16)7-23-4-5-25-18(23)24/h2-3,6,8-9H,4-5,7H2,1H3,(H,21,22)
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n/an/a 8.10n/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 I


(Homo sapiens (Human))
BDBM50402163
PNG
(CHEMBL2207991)
Show SMILES CCCc1nc(c([nH]1)-c1nc(C)cs1)-c1ccc2ncsc2c1
Show InChI InChI=1S/C17H16N4S2/c1-3-4-14-20-15(16(21-14)17-19-10(2)8-22-17)11-5-6-12-13(7-11)23-9-18-12/h5-9H,3-4H2,1-2H3,(H,20,21)
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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 I


(Homo sapiens (Human))
BDBM50365553
PNG
(CHEMBL1957675)
Show SMILES CCCC(=O)NCc1nc(c([nH]1)-c1nc(C)cs1)-c1ccc2ncsc2c1
Show InChI InChI=1S/C19H19N5OS2/c1-3-4-16(25)20-8-15-23-17(18(24-15)19-22-11(2)9-26-19)12-5-6-13-14(7-12)27-10-21-13/h5-7,9-10H,3-4,8H2,1-2H3,(H,20,25)(H,23,24)
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n/an/a 8.20n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-fused ALK5 using TMB substrate after 30 mins by ELISA


Bioorg Med Chem Lett 22: 2024-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.066
BindingDB Entry DOI: 10.7270/Q2668DPH
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50402162
PNG
(CHEMBL2207992)
Show SMILES CC(C)c1nc(c([nH]1)-c1nc(C)cs1)-c1ccc2ncsc2c1
Show InChI InChI=1S/C17H16N4S2/c1-9(2)16-20-14(15(21-16)17-19-10(3)7-22-17)11-4-5-12-13(6-11)23-8-18-12/h4-9H,1-3H3,(H,20,21)
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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 I


(Homo sapiens (Human))
BDBM50402145
PNG
(CHEMBL2208010)
Show SMILES Cc1csc(n1)-c1[nH]c(CCCCC(N)=O)nc1-c1ccc2ncsc2c1
Show InChI InChI=1S/C19H19N5OS2/c1-11-9-26-19(22-11)18-17(12-6-7-13-14(8-12)27-10-21-13)23-16(24-18)5-3-2-4-15(20)25/h6-10H,2-5H2,1H3,(H2,20,25)(H,23,24)
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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 I


(Homo sapiens (Human))
BDBM50402169
PNG
(CHEMBL2208022)
Show SMILES CC(C)OC(=O)NCc1nc(c([nH]1)-c1nc(C)cs1)-c1ccc2ncsc2c1
Show InChI InChI=1S/C19H19N5O2S2/c1-10(2)26-19(25)20-7-15-23-16(17(24-15)18-22-11(3)8-27-18)12-4-5-13-14(6-12)28-9-21-13/h4-6,8-10H,7H2,1-3H3,(H,20,25)(H,23,24)
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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 I


(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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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of ALK5-mediated TNFalpha-induced Smad2/3 phosphorylation in human A549 cells preincubated for 2 hrs before addition of TNFalpha after 1 h...


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 I


(Homo sapiens (Human))
BDBM50402156
PNG
(CHEMBL2207998)
Show SMILES Cc1csc(n1)-c1[nH]c(nc1-c1ccc2ncsc2c1)C1CCCC1
Show InChI InChI=1S/C19H18N4S2/c1-11-9-24-19(21-11)17-16(22-18(23-17)12-4-2-3-5-12)13-6-7-14-15(8-13)25-10-20-14/h6-10,12H,2-5H2,1H3,(H,22,23)
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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 I


(Homo sapiens (Human))
BDBM50402157
PNG
(CHEMBL2207997)
Show SMILES Cc1csc(n1)-c1[nH]c(nc1-c1ccc2ncsc2c1)C1CC1
Show InChI InChI=1S/C17H14N4S2/c1-9-7-22-17(19-9)15-14(20-16(21-15)10-2-3-10)11-4-5-12-13(6-11)23-8-18-12/h4-8,10H,2-3H2,1H3,(H,20,21)
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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 I


(Homo sapiens (Human))
BDBM50402161
PNG
(CHEMBL2207993)
Show SMILES CC(C)Cc1nc(c([nH]1)-c1nc(C)cs1)-c1ccc2ncsc2c1
Show InChI InChI=1S/C18H18N4S2/c1-10(2)6-15-21-16(17(22-15)18-20-11(3)8-23-18)12-4-5-13-14(7-12)24-9-19-13/h4-5,7-10H,6H2,1-3H3,(H,21,22)
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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 I


(Homo sapiens (Human))
BDBM50402149
PNG
(CHEMBL2208006)
Show SMILES CCCC(=O)CCc1nc(c([nH]1)-c1nc(C)cs1)-c1ccc2ncsc2c1
Show InChI InChI=1S/C20H20N4OS2/c1-3-4-14(25)6-8-17-23-18(19(24-17)20-22-12(2)10-26-20)13-5-7-15-16(9-13)27-11-21-15/h5,7,9-11H,3-4,6,8H2,1-2H3,(H,23,24)
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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
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50362841
PNG
(CHEMBL1940399)
Show SMILES COc1cc(O)ccc1\C=C\C(=O)OCCCc1ccccc1O
Show InChI InChI=1S/C19H20O5/c1-23-18-13-16(20)10-8-15(18)9-11-19(22)24-12-4-6-14-5-2-3-7-17(14)21/h2-3,5,7-11,13,20-21H,4,6,12H2,1H3/b11-9+
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Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by sp...


Eur J Med Chem 48: 321-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.034
BindingDB Entry DOI: 10.7270/Q2TT4RDB
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50402164
PNG
(CHEMBL2207990)
Show SMILES CCc1nc(c([nH]1)-c1nc(C)cs1)-c1ccc2ncsc2c1
Show InChI InChI=1S/C16H14N4S2/c1-3-13-19-14(15(20-13)16-18-9(2)7-21-16)10-4-5-11-12(6-10)22-8-17-11/h4-8H,3H2,1-2H3,(H,19,20)
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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 I


(Homo sapiens (Human))
BDBM50402171
PNG
(CHEMBL2208020)
Show SMILES CCCCOC(=O)NCc1nc(c([nH]1)-c1nc(C)cs1)-c1ccc2ncsc2c1
Show InChI InChI=1S/C20H21N5O2S2/c1-3-4-7-27-20(26)21-9-16-24-17(18(25-16)19-23-12(2)10-28-19)13-5-6-14-15(8-13)29-11-22-14/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,21,26)(H,24,25)
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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 I


(Homo sapiens (Human))
BDBM50402167
PNG
(CHEMBL2208238)
Show SMILES Cc1csc(n1)-c1[nH]c(CNC(=O)OCC(C)(C)C)nc1-c1ccc2ncsc2c1
Show InChI InChI=1S/C21H23N5O2S2/c1-12-9-29-19(24-12)18-17(13-5-6-14-15(7-13)30-11-23-14)25-16(26-18)8-22-20(27)28-10-21(2,3)4/h5-7,9,11H,8,10H2,1-4H3,(H,22,27)(H,25,26)
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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 I


(Homo sapiens (Human))
BDBM50402170
PNG
(CHEMBL2208021)
Show SMILES CCCCCOC(=O)NCc1nc(c([nH]1)-c1nc(C)cs1)-c1ccc2ncsc2c1
Show InChI InChI=1S/C21H23N5O2S2/c1-3-4-5-8-28-21(27)22-10-17-25-18(19(26-17)20-24-13(2)11-29-20)14-6-7-15-16(9-14)30-12-23-15/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,22,27)(H,25,26)
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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 I


(Homo sapiens (Human))
BDBM50402177
PNG
(CHEMBL2208014)
Show SMILES CCNC(=O)NCc1nc(c([nH]1)-c1nc(C)cs1)-c1ccc2ncsc2c1
Show InChI InChI=1S/C18H18N6OS2/c1-3-19-18(25)20-7-14-23-15(16(24-14)17-22-10(2)8-26-17)11-4-5-12-13(6-11)27-9-21-12/h4-6,8-9H,3,7H2,1-2H3,(H,23,24)(H2,19,20,25)
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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 I


(Homo sapiens (Human))
BDBM50402147
PNG
(CHEMBL2208008)
Show SMILES CCNC(=O)CCc1nc(c([nH]1)-c1nc(C)cs1)-c1ccc2ncsc2c1
Show InChI InChI=1S/C19H19N5OS2/c1-3-20-16(25)7-6-15-23-17(18(24-15)19-22-11(2)9-26-19)12-4-5-13-14(8-12)27-10-21-13/h4-5,8-10H,3,6-7H2,1-2H3,(H,20,25)(H,23,24)
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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 I


(Homo sapiens (Human))
BDBM50402155
PNG
(CHEMBL2207999)
Show SMILES Cc1csc(n1)-c1[nH]c(nc1-c1ccc2ncsc2c1)C1CCCCC1
Show InChI InChI=1S/C20H20N4S2/c1-12-10-25-20(22-12)18-17(14-7-8-15-16(9-14)26-11-21-15)23-19(24-18)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,23,24)
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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
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50362844
PNG
(CHEMBL1940396)
Show SMILES COc1cc(O)ccc1\C=C\C(=O)OCCc1cccc(O)c1
Show InChI InChI=1S/C18H18O5/c1-22-17-12-16(20)7-5-14(17)6-8-18(21)23-10-9-13-3-2-4-15(19)11-13/h2-8,11-12,19-20H,9-10H2,1H3/b8-6+
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Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by sp...


Eur J Med Chem 48: 321-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.034
BindingDB Entry DOI: 10.7270/Q2TT4RDB
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50402150
PNG
(CHEMBL2208005)
Show SMILES CCCCNCc1nc(c([nH]1)-c1nc(C)cs1)-c1ccc2ncsc2c1
Show InChI InChI=1S/C19H21N5S2/c1-3-4-7-20-9-16-23-17(18(24-16)19-22-12(2)10-25-19)13-5-6-14-15(8-13)26-11-21-14/h5-6,8,10-11,20H,3-4,7,9H2,1-2H3,(H,23,24)
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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
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50362846
PNG
(CHEMBL1940394)
Show SMILES COc1cc(O)ccc1\C=C\C(=O)OCCc1ccccc1
Show InChI InChI=1S/C18H18O4/c1-21-17-13-16(19)9-7-15(17)8-10-18(20)22-12-11-14-5-3-2-4-6-14/h2-10,13,19H,11-12H2,1H3/b10-8+
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Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by sp...


Eur J Med Chem 48: 321-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.034
BindingDB Entry DOI: 10.7270/Q2TT4RDB
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50362843
PNG
(CHEMBL1940397)
Show SMILES COc1cc(O)ccc1\C=C\C(=O)OCCc1ccc(O)cc1
Show InChI InChI=1S/C18H18O5/c1-22-17-12-16(20)8-4-14(17)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
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Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by sp...


Eur J Med Chem 48: 321-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.034
BindingDB Entry DOI: 10.7270/Q2TT4RDB
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50402160
PNG
(CHEMBL2207994)
Show SMILES Cc1csc(n1)-c1[nH]c(nc1-c1ccc2ncsc2c1)C(C)(C)C
Show InChI InChI=1S/C18H18N4S2/c1-10-8-23-16(20-10)15-14(21-17(22-15)18(2,3)4)11-5-6-12-13(7-11)24-9-19-12/h5-9H,1-4H3,(H,21,22)
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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
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50362842
PNG
(CHEMBL1940398)
Show SMILES COc1cc(O)ccc1\C=C\C(=O)OCCCc1ccccc1
Show InChI InChI=1S/C19H20O4/c1-22-18-14-17(20)11-9-16(18)10-12-19(21)23-13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-12,14,20H,5,8,13H2,1H3/b12-10+
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Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by sp...


Eur J Med Chem 48: 321-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.034
BindingDB Entry DOI: 10.7270/Q2TT4RDB
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50362845
PNG
(CHEMBL1940395)
Show SMILES COc1cc(O)ccc1\C=C\C(=O)OCCc1ccccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-15(19)8-6-14(17)7-9-18(21)23-11-10-13-4-2-3-5-16(13)20/h2-9,12,19-20H,10-11H2,1H3/b9-7+
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Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by sp...


Eur J Med Chem 48: 321-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.034
BindingDB Entry DOI: 10.7270/Q2TT4RDB
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50402165
PNG
(CHEMBL2207989)
Show SMILES Cc1csc(n1)-c1[nH]c(C)nc1-c1ccc2ncsc2c1
Show InChI InChI=1S/C15H12N4S2/c1-8-6-20-15(17-8)14-13(18-9(2)19-14)10-3-4-11-12(5-10)21-7-16-11/h3-7H,1-2H3,(H,18,19)
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Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of ALK5-mediated TNFalpha-induced Smad2/3 phosphorylation in human A549 cells preincubated for 2 hrs before addition of TNFalpha after 1 h...


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 I


(Homo sapiens (Human))
BDBM50402176
PNG
(CHEMBL2208015)
Show SMILES CCCS(=O)(=O)NCc1nc(c([nH]1)-c1nc(C)cs1)-c1ccc2ncsc2c1
Show InChI InChI=1S/C18H19N5O2S3/c1-3-6-28(24,25)20-8-15-22-16(17(23-15)18-21-11(2)9-26-18)12-4-5-13-14(7-12)27-10-19-13/h4-5,7,9-10,20H,3,6,8H2,1-2H3,(H,22,23)
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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
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50362847
PNG
(CHEMBL1940393)
Show SMILES Oc1ccc(\C=C\C(=O)OCCCc2ccccc2)cc1
Show InChI InChI=1S/C18H18O3/c19-17-11-8-16(9-12-17)10-13-18(20)21-14-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-13,19H,4,7,14H2/b13-10+
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antibodypedia
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Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by sp...


Eur J Med Chem 48: 321-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.034
BindingDB Entry DOI: 10.7270/Q2TT4RDB
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50402153
PNG
(CHEMBL2208001)
Show SMILES Cc1csc(n1)-c1[nH]c(nc1-c1ccc2ncsc2c1)C1CCOCC1
Show InChI InChI=1S/C19H18N4OS2/c1-11-9-25-19(21-11)17-16(13-2-3-14-15(8-13)26-10-20-14)22-18(23-17)12-4-6-24-7-5-12/h2-3,8-10,12H,4-7H2,1H3,(H,22,23)
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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
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))
BDBM50362840
PNG
(CHEMBL1940401)
Show SMILES COc1cc(O)ccc1\C=C\C(=O)OCCCc1ccc(O)cc1
Show InChI InChI=1S/C19H20O5/c1-23-18-13-17(21)10-6-15(18)7-11-19(22)24-12-2-3-14-4-8-16(20)9-5-14/h4-11,13,20-21H,2-3,12H2,1H3/b11-7+
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Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by sp...


Eur J Med Chem 48: 321-9 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.034
BindingDB Entry DOI: 10.7270/Q2TT4RDB
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50402154
PNG
(CHEMBL2208000)
Show SMILES Cc1csc(n1)-c1[nH]c(nc1-c1ccc2ncsc2c1)C1CCC(=O)CC1
Show InChI InChI=1S/C20H18N4OS2/c1-11-9-26-20(22-11)18-17(13-4-7-15-16(8-13)27-10-21-15)23-19(24-18)12-2-5-14(25)6-3-12/h4,7-10,12H,2-3,5-6H2,1H3,(H,23,24)
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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 I


(Homo sapiens (Human))
BDBM50402179
PNG
(CHEMBL2208012)
Show SMILES CCC(=O)NCCc1nc(c([nH]1)-c1nc(C)cs1)-c1ccc2ncsc2c1
Show InChI InChI=1S/C19H19N5OS2/c1-3-16(25)20-7-6-15-23-17(18(24-15)19-22-11(2)9-26-19)12-4-5-13-14(8-12)27-10-21-13/h4-5,8-10H,3,6-7H2,1-2H3,(H,20,25)(H,23,24)
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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 I


(Homo sapiens (Human))
BDBM50402152
PNG
(CHEMBL2208003)
Show SMILES Cc1csc(n1)-c1[nH]c(CN2CCCC2=O)nc1-c1ccc2ncsc2c1
Show InChI InChI=1S/C19H17N5OS2/c1-11-9-26-19(21-11)18-17(12-4-5-13-14(7-12)27-10-20-13)22-15(23-18)8-24-6-2-3-16(24)25/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,22,23)
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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 I


(Homo sapiens (Human))
BDBM50402178
PNG
(CHEMBL2208013)
Show SMILES CC(=O)NCCCc1nc(c([nH]1)-c1nc(C)cs1)-c1ccc2ncsc2c1
Show InChI InChI=1S/C19H19N5OS2/c1-11-9-26-19(22-11)18-17(13-5-6-14-15(8-13)27-10-21-14)23-16(24-18)4-3-7-20-12(2)25/h5-6,8-10H,3-4,7H2,1-2H3,(H,20,25)(H,23,24)
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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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