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Compile Data Set for Download or QSAR

Found 184 hits with Last Name = 'scorah' and Initial = 'n'   
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
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238082
PNG
(CHEMBL4102696)
Show SMILES Cc1cnc(cc1Nc1ccnc2cn[nH]c12)-c1cc(F)ccc1F
PDB

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n/an/a 1n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238063
PNG
(CHEMBL4101751)
Show SMILES CNC(=O)n1ncc2nccc(Nc3cc(ncc3C)-c3cc(F)ccc3F)c12
PDB

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n/an/a 1n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350343
PNG
((S)-3-(1-((1-acryloylpyrrolidin-3-yl)oxy)-8-chloro...)
PDB
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n/an/a<1.26n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent




US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350338
PNG
((S)-3-(1-((1-acryloylpyrrolidin-3-yl)oxy)-8-fluoro...)
PDB
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n/an/a<1.26n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent




US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350339
PNG
((S)-3-(1-((1-acryloylpyrrolidin-3-yl)amino)-8-fluo...)
PDB
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n/an/a<1.26n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent




US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350340
PNG
((S)-3-(1-((1-acryloylpyrrolidin-3-yl)oxy)-7-chloro...)
PDB
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n/an/a<1.26n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent




US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350321
PNG
((S)-3-(1-((1-acryloylpyrrolidin-3-yl)oxy)isoquinol...)
PDB
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n/an/a<2n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent




US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238072
PNG
(CHEMBL4104104)
Show SMILES CCn1ncc2nccc(Nc3cc(ncc3C)-c3cc(C)ccc3F)c12
PDB

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n/an/a 2n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238056
PNG
(CHEMBL4060987)
Show SMILES CNC(=O)n1ncc2nccc(Nc3ccnc(c3)-c3cc(F)ccc3F)c12
PDB

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n/an/a 2.5n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238093
PNG
(CHEMBL4094958)
Show SMILES COc1cccc2nccc(Nc3cc(ncc3C)-c3nc(C)ccc3F)c12
PDB

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n/an/a 2.5n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350336
PNG
(3-(1-(((3R,4S)-1-acryloyl-4-methylpyrrolidin-3-yl)...)
PDB
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n/an/a<2.51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent




US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350333
PNG
((S)-3-(8-((1-acryloylpyrrolidin-3-yl)amino)-1,7-na...)
PDB
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n/an/a<2.51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent




US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350324
PNG
((S)-3-(1-((1-acryloylpyrrolidin-3-yl)amino)isoquin...)
PDB
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n/an/a<2.51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent




US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350350
PNG
((S)-5-(1-((1-(2-chloroacetyl)pyrrolidin-3-yl)amino...)
PDB
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n/an/a<2.51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent




US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350346
PNG
((S)-3-(6-((1-acryloylpyrrolidin-3-yl)oxy)-4-methyl...)
PDB
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n/an/a<2.51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent




US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350345
PNG
((S)-3-(1-((1-acryloylpyrrolidin-3-yl)amino)-8-meth...)
PDB
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n/an/a<2.51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent




US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350344
PNG
((S)-3-(1-((1-acryloylpyrrolidin-3-yl)amino)-8-chlo...)
PDB
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n/an/a<2.51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent




US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350342
PNG
((S)-3-(1-((1-acryloylpyrrolidin-3-yl)amino)-7-chlo...)
PDB
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n/an/a<2.51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent




US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350341
PNG
((S)-3-(1-((1-acryloylpyrrolidin-3-yl)amino)-7-fluo...)
PDB
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n/an/a<2.51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent




US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50337934
PNG
((R)-3-(2,3-dihydroxypropoxy)-6-fluoro-5-(2-fluoro-...)
Show SMILES Cn1c2ncn(OC[C@H](O)CO)c(=O)c2c(Nc2ccc(I)cc2F)c(F)c1=O |r|
Show InChI InChI=1S/C17H15F2IN4O5/c1-23-15-12(16(27)24(7-21-15)29-6-9(26)5-25)14(13(19)17(23)28)22-11-3-2-8(20)4-10(11)18/h2-4,7,9,22,25-26H,5-6H2,1H3/t9-/m1/s1
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Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of MEK1 by IMAP assay


Bioorg Med Chem Lett 21: 1315-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.071
BindingDB Entry DOI: 10.7270/Q2833SB8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350327
PNG
((S)-3-(1-((1-acryloylpyrrolidin-3-yl)(methyl)amino...)
PDB
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n/an/a 3.16n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent




US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350332
PNG
((S)-3-(8-((1-acryloylpyrrolidin-3-yl)oxy)-1,7-naph...)
PDB
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n/an/a<3.16n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent




US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50337929
PNG
((S)-3-(2,3-dihydroxypropyl)-6-fluoro-5-(2-fluoro-4...)
Show SMILES Cn1c2ncn(C[C@H](O)CO)c(=O)c2c(Nc2ccc(I)cc2F)c(F)c1=O |r|
Show InChI InChI=1S/C17H15F2IN4O4/c1-23-15-12(16(27)24(7-21-15)5-9(26)6-25)14(13(19)17(23)28)22-11-3-2-8(20)4-10(11)18/h2-4,7,9,22,25-26H,5-6H2,1H3/t9-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of MEK1 by IMAP assay


Bioorg Med Chem Lett 21: 1315-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.071
BindingDB Entry DOI: 10.7270/Q2833SB8
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238074
PNG
(CHEMBL4075003)
Show SMILES Cc1ccc(F)c(c1)-c1cc(Nc2ccnc3cnn(CC(N)=O)c23)c(C)cn1
PDB

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n/an/a 3.20n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238064
PNG
(CHEMBL4063730)
Show SMILES CNC(=O)n1ncc2nccc(Nc3ccnc(c3)-c3cc(Cl)ccc3F)c12
PDB

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n/an/a 3.20n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50337926
PNG
((R)-3-(2,3-dihydroxypropyl)-6-fluoro-5-(2-fluoro-4...)
Show SMILES Cn1c2ncn(C[C@@H](O)CO)c(=O)c2c(Nc2ccc(I)cc2F)c(F)c1=O |r|
Show InChI InChI=1S/C17H15F2IN4O4/c1-23-15-12(16(27)24(7-21-15)5-9(26)6-25)14(13(19)17(23)28)22-11-3-2-8(20)4-10(11)18/h2-4,7,9,22,25-26H,5-6H2,1H3/t9-/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of MEK1 by IMAP assay


Bioorg Med Chem Lett 21: 1315-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.071
BindingDB Entry DOI: 10.7270/Q2833SB8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238084
PNG
(CHEMBL4085333)
Show SMILES CC(O)Cn1ncc2nccc(Nc3cc(ncc3C)-c3cc(F)ccc3F)c12
PDB

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Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50337933
PNG
(3-(1,3-dihydroxypropan-2-yl)-6-fluoro-5-(2-fluoro-...)
Show SMILES Cn1c2ncn(C(CO)CO)c(=O)c2c(Nc2ccc(I)cc2F)c(F)c1=O
Show InChI InChI=1S/C17H15F2IN4O4/c1-23-15-12(16(27)24(7-21-15)9(5-25)6-26)14(13(19)17(23)28)22-11-3-2-8(20)4-10(11)18/h2-4,7,9,22,25-26H,5-6H2,1H3
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Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of MEK1 by IMAP assay


Bioorg Med Chem Lett 21: 1315-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.071
BindingDB Entry DOI: 10.7270/Q2833SB8
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM1711
PNG
(CHEMBL1684067 | US8470837, 8)
Show SMILES Cc1c(Nc2ccc(I)cc2F)c2c(ncn(C[C@@H](O)CO)c2=O)n(C)c1=O |r|
Show InChI InChI=1S/C18H18FIN4O4/c1-9-15(22-13-4-3-10(20)5-12(13)19)14-16(23(2)17(9)27)21-8-24(18(14)28)6-11(26)7-25/h3-5,8,11,22,25-26H,6-7H2,1-2H3/t11-/m1/s1
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Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of MEK1 by IMAP assay


Bioorg Med Chem Lett 21: 1315-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.071
BindingDB Entry DOI: 10.7270/Q2833SB8
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238071
PNG
(CHEMBL4079857)
Show SMILES Cc1ccc(F)c(c1)-c1cc(Nc2ccnc3cnn(C)c23)c(C)cn1
PDB

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Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50337932
PNG
(5-(2-fluoro-4-iodophenylamino)-3-(2-hydroxyethyl)-...)
Show SMILES Cc1c(Nc2ccc(I)cc2F)c2c(ncn(CCO)c2=O)n(C)c1=O
Show InChI InChI=1S/C17H16FIN4O3/c1-9-14(21-12-4-3-10(19)7-11(12)18)13-15(22(2)16(9)25)20-8-23(5-6-24)17(13)26/h3-4,7-8,21,24H,5-6H2,1-2H3
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n/an/a 4n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of MEK1 by IMAP assay


Bioorg Med Chem Lett 21: 1315-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.071
BindingDB Entry DOI: 10.7270/Q2833SB8
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238057
PNG
(CHEMBL4085263)
Show SMILES Cc1ccc(F)c(c1)-c1cc(Nc2ccnc3cn(C)nc23)c(C)cn1
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n/an/a 4n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50337920
PNG
((R)-3-(2,3-dihydroxypropyl)-5-(2-fluoro-4-iodophen...)
Show SMILES Cn1c2ncn(C[C@@H](O)CO)c(=O)c2c(Nc2ccc(I)cc2F)cc1=O |r|
Show InChI InChI=1S/C17H16FIN4O4/c1-22-14(26)5-13(21-12-3-2-9(19)4-11(12)18)15-16(22)20-8-23(17(15)27)6-10(25)7-24/h2-5,8,10,21,24-25H,6-7H2,1H3/t10-/m1/s1
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n/an/a 4.60n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of MEK1 by IMAP assay


Bioorg Med Chem Lett 21: 1315-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.071
BindingDB Entry DOI: 10.7270/Q2833SB8
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50337928
PNG
((R)-3-(2,3-dihydroxypropyl)-5-(4-ethynyl-2-fluorop...)
Show SMILES Cn1c2ncn(C[C@@H](O)CO)c(=O)c2c(Nc2ccc(cc2F)C#C)c(F)c1=O |r|
Show InChI InChI=1S/C19H16F2N4O4/c1-3-10-4-5-13(12(20)6-10)23-16-14-17(24(2)19(29)15(16)21)22-9-25(18(14)28)7-11(27)8-26/h1,4-6,9,11,23,26-27H,7-8H2,2H3/t11-/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of MEK1 by IMAP assay


Bioorg Med Chem Lett 21: 1315-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.071
BindingDB Entry DOI: 10.7270/Q2833SB8
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50337937
PNG
(5-(2-fluoro-4-iodophenylamino)-3-(3-hydroxypropyl)...)
Show SMILES Cn1c2ncn(CCCO)c(=O)c2c(Nc2ccc(I)cc2F)cc1=O
Show InChI InChI=1S/C17H16FIN4O3/c1-22-14(25)8-13(21-12-4-3-10(19)7-11(12)18)15-16(22)20-9-23(17(15)26)5-2-6-24/h3-4,7-9,21,24H,2,5-6H2,1H3
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n/an/a 4.90n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of MEK1 by IMAP assay


Bioorg Med Chem Lett 21: 1315-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.071
BindingDB Entry DOI: 10.7270/Q2833SB8
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM1714
PNG
(CHEMBL1684071 | US8470837, 13)
Show SMILES Cc1c(Nc2ccc(I)cc2F)c2c(ncn(C[C@H](O)CO)c2=O)n(C)c1=O |r|
Show InChI InChI=1S/C18H18FIN4O4/c1-9-15(22-13-4-3-10(20)5-12(13)19)14-16(23(2)17(9)27)21-8-24(18(14)28)6-11(26)7-25/h3-5,8,11,22,25-26H,6-7H2,1-2H3/t11-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of MEK1 by IMAP assay


Bioorg Med Chem Lett 21: 1315-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.071
BindingDB Entry DOI: 10.7270/Q2833SB8
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238096
PNG
(CHEMBL4074485)
Show SMILES COc1cccc2nccc(Nc3cc(ncc3C)-c3cccc(C)n3)c12
PDB

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n/an/a 5n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238062
PNG
(CHEMBL4075081)
Show SMILES CCNC(=O)n1ncc2nccc(Nc3ccnc(c3)-c3cc(F)ccc3F)c12
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n/an/a 5n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350348
PNG
((S)-3-(6-((1-acryloylpyrrolidin-3-yl)oxy)-5-methyl...)
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n/an/a 5.01n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent




US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50337924
PNG
((R)-6-chloro-3-(2,3-dihydroxypropyl)-5-(2-fluoro-4...)
Show SMILES Cn1c2ncn(C[C@@H](O)CO)c(=O)c2c(Nc2ccc(I)cc2F)c(Cl)c1=O |r|
Show InChI InChI=1S/C17H15ClFIN4O4/c1-23-15-12(16(27)24(7-21-15)5-9(26)6-25)14(13(18)17(23)28)22-11-3-2-8(20)4-10(11)19/h2-4,7,9,22,25-26H,5-6H2,1H3/t9-/m1/s1
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n/an/a 5.90n/an/an/an/an/an/a



Takeda San Diego

Curated by ChEMBL


Assay Description
Inhibition of MEK1 by IMAP assay


Bioorg Med Chem Lett 21: 1315-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.071
BindingDB Entry DOI: 10.7270/Q2833SB8
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238080
PNG
(CHEMBL4073422)
Show SMILES Fc1ccc(Cl)cc1-c1cc(Nc2ccnc3cn[nH]c23)ccn1
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n/an/a 6.30n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350349
PNG
((S)-5-(1-((1-(2-chloroacetyl)pyrrolidin-3-yl)oxy)i...)
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n/an/a<6.31n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent




US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350334
PNG
((S)-3-(1-((1-acryloylpyrrolidin-3-yl)oxy)-7-fluoro...)
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n/an/a<6.31n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent




US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350335
PNG
(3-(1-(((3R,4S)-1-acryloyl-4-methylpyrrolidin-3-yl)...)
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n/an/a<6.31n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent




US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM350330
PNG
((S,E)-5-(1-((1-(4-(dimethylamino)but-2-enoyl)pyrro...)
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n/an/a 6.31n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent




US Patent US9801872 (2017)


BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238078
PNG
(CHEMBL4093131)
Show SMILES C[C@H](O)Cn1cc2nccc(Nc3cc(ncc3C)-c3cc(C)ccc3F)c2n1 |r|
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n/an/a 7.90n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238059
PNG
(CHEMBL4064820)
Show SMILES Fc1ccc(F)c(c1)-c1cc(Nc2ccnc3cn[nH]c23)ccn1
PDB

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n/an/a 7.90n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238060
PNG
(CHEMBL4095435)
Show SMILES C[C@H](O)Cn1ncc2nccc(Nc3cc(ncc3C)-c3cc(C)ccc3F)c12 |r|
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n/an/a 7.90n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238073
PNG
(CHEMBL4066402)
Show SMILES C[C@@H](O)Cn1ncc2nccc(Nc3cc(ncc3C)-c3cc(C)ccc3F)c12 |r|
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n/an/a 7.90n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238076
PNG
(CHEMBL4074026)
Show SMILES Cc1ccc(F)c(c1)-c1cc(Nc2ccnc3cn(CCO)nc23)c(C)cn1
PDB

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n/an/a 7.90n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1955-1961 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.026
BindingDB Entry DOI: 10.7270/Q2QJ7KKZ
More data for this
Ligand-Target Pair
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