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Compile Data Set for Download or QSAR

Found 357 hits with Last Name = 'lawson' and Initial = 'jd'   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50389606
PNG
(CHEMBL2069625)
Show SMILES Cc1oc(nc1COc1cccc(CO)c1)-c1ccccc1
Show InChI InChI=1S/C18H17NO3/c1-13-17(12-21-16-9-5-6-14(10-16)11-20)19-18(22-13)15-7-3-2-4-8-15/h2-10,20H,11-12H2,1H3
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2.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human unphosphorylated N-terminal-His6 tagged VEGFR2 catalytic domain using 5-FAM-EEPLYWSFPAKKK-CONH2 as substrate after 60 mins by mob...


ACS Med Chem Lett 3: 342-346 (2012)


Article DOI: 10.1021/ml3000403
BindingDB Entry DOI: 10.7270/Q2FN1782
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238063
PNG
(CHEMBL4101751)
Show SMILES CNC(=O)n1ncc2nccc(Nc3cc(ncc3C)-c3cc(F)ccc3F)c12
Show InChI InChI=1S/C20H16F2N6O/c1-11-9-25-17(13-7-12(21)3-4-14(13)22)8-16(11)27-15-5-6-24-18-10-26-28(19(15)18)20(29)23-2/h3-10H,1-2H3,(H,23,29)(H,24,25,27)
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n/an/a 1n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST tagged human ALK5 (200 to 503 residues) expressed in baculovirus expression system using FAM-NH2-KVLTQMGSPSI...


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))
BDBM50238082
PNG
(CHEMBL4102696)
Show SMILES Cc1cnc(cc1Nc1ccnc2cn[nH]c12)-c1cc(F)ccc1F
Show InChI InChI=1S/C18H13F2N5/c1-10-8-22-16(12-6-11(19)2-3-13(12)20)7-15(10)24-14-4-5-21-17-9-23-25-18(14)17/h2-9H,1H3,(H,23,25)(H,21,22,24)
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n/an/a 1n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST tagged human ALK5 (200 to 503 residues) expressed in baculovirus expression system using FAM-NH2-KVLTQMGSPSI...


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 receptor UFO


(Homo sapiens (Human))
BDBM50234304
PNG
(CHEMBL4062894)
Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)c1csc(n1)-c1cc(ccc1NC(=O)c1ncc[nH]1)N1CCNCC1
Show InChI InChI=1/C23H29N7O3S2/c1-35(32,33)30-10-2-3-16(14-30)20-15-34-23(28-20)18-13-17(29-11-8-24-9-12-29)4-5-19(18)27-22(31)21-25-6-7-26-21/h4-7,13,15-16,24H,2-3,8-12,14H2,1H3,(H,25,26)(H,27,31)/t16-/s2
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n/an/a 1n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of Axl (unknown origin)


Bioorg Med Chem Lett 27: 1099-1104 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.024
BindingDB Entry DOI: 10.7270/Q2D50Q6F
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...)
Show SMILES Fc1cccc2cc(nc(O[C@H]3CCN(C3)C(=O)C=C)c12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1/C18H16FN5O3/c1-2-14(25)24-7-6-11(9-24)27-17-15-10(4-3-5-12(15)19)8-13(20-17)16-21-18(26)23-22-16/h2-5,8,11H,1,6-7,9H2,(H2,21,22,23,26)/t11-/s2
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n/an/a<1.26n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US10307414 (2019)

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...)
Show SMILES Fc1cccc2cc(nc(N[C@H]3CCN(C3)C(=O)C=C)c12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1/C18H17FN6O2/c1-2-14(26)25-7-6-11(9-25)20-17-15-10(4-3-5-12(15)19)8-13(21-17)16-22-18(27)24-23-16/h2-5,8,11H,1,6-7,9H2,(H,20,21)(H2,22,23,24,27)/t11-/s2
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n/an/a<1.26n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US10307414 (2019)

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...)
Show SMILES Clc1ccc2cc(nc(O[C@H]3CCN(C3)C(=O)C=C)c2c1)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1/C18H16ClN5O3/c1-2-15(25)24-6-5-12(9-24)27-17-13-8-11(19)4-3-10(13)7-14(20-17)16-21-18(26)23-22-16/h2-4,7-8,12H,1,5-6,9H2,(H2,21,22,23,26)/t12-/s2
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n/an/a<1.26n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US10307414 (2019)

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...)
Show SMILES Clc1cccc2cc(nc(O[C@H]3CCN(C3)C(=O)C=C)c12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1/C18H16ClN5O3/c1-2-14(25)24-7-6-11(9-24)27-17-15-10(4-3-5-12(15)19)8-13(20-17)16-21-18(26)23-22-16/h2-5,8,11H,1,6-7,9H2,(H2,21,22,23,26)/t11-/s2
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n/an/a<1.26n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US10307414 (2019)

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...)
Show SMILES Fc1cccc2cc(nc(O[C@H]3CCN(C3)C(=O)C=C)c12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1/C18H16FN5O3/c1-2-14(25)24-7-6-11(9-24)27-17-15-10(4-3-5-12(15)19)8-13(20-17)16-21-18(26)23-22-16/h2-5,8,11H,1,6-7,9H2,(H2,21,22,23,26)/t11-/s2
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n/an/a<1.26n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


Article DOI: 10.1021/jm031057+
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...)
Show SMILES Fc1cccc2cc(nc(N[C@H]3CCN(C3)C(=O)C=C)c12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1/C18H17FN6O2/c1-2-14(26)25-7-6-11(9-25)20-17-15-10(4-3-5-12(15)19)8-13(21-17)16-22-18(27)24-23-16/h2-5,8,11H,1,6-7,9H2,(H,20,21)(H2,22,23,24,27)/t11-/s2
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n/an/a<1.26n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


Article DOI: 10.1021/jm031057+
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...)
Show SMILES Clc1ccc2cc(nc(O[C@H]3CCN(C3)C(=O)C=C)c2c1)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1/C18H16ClN5O3/c1-2-15(25)24-6-5-12(9-24)27-17-13-8-11(19)4-3-10(13)7-14(20-17)16-21-18(26)23-22-16/h2-4,7-8,12H,1,5-6,9H2,(H2,21,22,23,26)/t12-/s2
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n/an/a<1.26n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2BC41PD
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...)
Show SMILES Clc1cccc2cc(nc(O[C@H]3CCN(C3)C(=O)C=C)c12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1/C18H16ClN5O3/c1-2-14(25)24-7-6-11(9-24)27-17-15-10(4-3-5-12(15)19)8-13(20-17)16-21-18(26)23-22-16/h2-5,8,11H,1,6-7,9H2,(H2,21,22,23,26)/t11-/s2
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n/an/a<1.26n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50234305
PNG
(CHEMBL4090103)
Show SMILES CN(C)CCOc1ccc(NC(=O)c2ncc[nH]2)c(c1)-c1nc(cs1)[C@H]1CCCN(C1)S(C)(=O)=O
Show InChI InChI=1/C23H30N6O4S2/c1-28(2)11-12-33-17-6-7-19(26-22(30)21-24-8-9-25-21)18(13-17)23-27-20(15-34-23)16-5-4-10-29(14-16)35(3,31)32/h6-9,13,15-16H,4-5,10-12,14H2,1-3H3,(H,24,25)(H,26,30)/t16-/s2
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n/an/a 1.80n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of Axl (unknown origin)


Bioorg Med Chem Lett 27: 1099-1104 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.024
BindingDB Entry DOI: 10.7270/Q2D50Q6F
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
Show InChI InChI=1S/C21H20FN5/c1-4-27-21-17(7-8-23-20(21)12-25-27)26-18-10-19(24-11-14(18)3)15-9-13(2)5-6-16(15)22/h5-12H,4H2,1-3H3,(H,23,24,26)
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n/an/a 2n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST tagged human ALK5 (200 to 503 residues) expressed in baculovirus expression system using FAM-NH2-KVLTQMGSPSI...


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))
BDBM350321
PNG
((S)-3-(1-((1-acryloylpyrrolidin-3-yl)oxy)isoquinol...)
Show SMILES C=CC(=O)N1CC[C@@H](C1)Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1/C18H17N5O3/c1-2-15(24)23-8-7-12(10-23)26-17-13-6-4-3-5-11(13)9-14(19-17)16-20-18(25)22-21-16/h2-6,9,12H,1,7-8,10H2,(H2,20,21,22,25)/t12-/s2
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n/an/a<2n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


Article DOI: 10.1021/jm031057+
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...)
Show SMILES C=CC(=O)N1CC[C@@H](C1)Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1/C18H17N5O3/c1-2-15(24)23-8-7-12(10-23)26-17-13-6-4-3-5-11(13)9-14(19-17)16-20-18(25)22-21-16/h2-6,9,12H,1,7-8,10H2,(H2,20,21,22,25)/t12-/s2
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n/an/a<2n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US10307414 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50097393
PNG
(CHEMBL3586447)
Show SMILES Cc1cc2cn[nH]c2cc1-c1cccc2c(N)c(nnc12)C(N)=O
Show InChI InChI=1S/C17H14N6O/c1-8-5-9-7-20-21-13(9)6-12(8)10-3-2-4-11-14(18)16(17(19)24)23-22-15(10)11/h2-7H,1H3,(H2,18,22)(H2,19,24)(H,20,21)
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n/an/a 2n/an/an/an/an/an/a



Takeda California, 10410 Science Center Drive, San Diego, California 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Btk


J Med Chem 58: 5437-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00734
BindingDB Entry DOI: 10.7270/Q25B047D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50234306
PNG
(CHEMBL4094158)
Show SMILES CS(=O)(=O)N1CCO[C@@H](C1)c1csc(n1)-c1cc(ccc1NC(=O)c1ncc[nH]1)N1CCOCC1
Show InChI InChI=1/C22H26N6O5S2/c1-35(30,31)28-8-11-33-19(13-28)18-14-34-22(26-18)16-12-15(27-6-9-32-10-7-27)2-3-17(16)25-21(29)20-23-4-5-24-20/h2-5,12,14,19H,6-11,13H2,1H3,(H,23,24)(H,25,29)/t19-/s2
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n/an/a 2.20n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of Axl (unknown origin)


Bioorg Med Chem Lett 27: 1099-1104 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.024
BindingDB Entry DOI: 10.7270/Q2D50Q6F
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
Show InChI InChI=1S/C22H19FN4O/c1-13-12-25-19(22-15(23)8-7-14(2)26-22)11-18(13)27-17-9-10-24-16-5-4-6-20(28-3)21(16)17/h4-12H,1-3H3,(H,24,25,27)
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n/an/a 2.5n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST tagged human ALK5 (200 to 503 residues) expressed in baculovirus expression system using FAM-NH2-KVLTQMGSPSI...


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
Show InChI InChI=1S/C19H14F2N6O/c1-22-19(28)27-18-15(5-7-24-17(18)10-25-27)26-12-4-6-23-16(9-12)13-8-11(20)2-3-14(13)21/h2-10H,1H3,(H,22,28)(H,23,24,26)
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n/an/a 2.5n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST tagged human ALK5 (200 to 503 residues) expressed in baculovirus expression system using FAM-NH2-KVLTQMGSPSI...


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))
BDBM350344
PNG
((S)-3-(1-((1-acryloylpyrrolidin-3-yl)amino)-8-chlo...)
Show SMILES Clc1cccc2cc(nc(N[C@H]3CCN(C3)C(=O)C=C)c12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1/C18H17ClN6O2/c1-2-14(26)25-7-6-11(9-25)20-17-15-10(4-3-5-12(15)19)8-13(21-17)16-22-18(27)24-23-16/h2-5,8,11H,1,6-7,9H2,(H,20,21)(H2,22,23,24,27)/t11-/s2
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n/an/a<2.51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US10307414 (2019)

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...)
Show SMILES COc1cccc2cc(nc(N[C@H]3CCN(C3)C(=O)C=C)c12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1/C19H20N6O3/c1-3-15(26)25-8-7-12(10-25)20-18-16-11(5-4-6-14(16)28-2)9-13(21-18)17-22-19(27)24-23-17/h3-6,9,12H,1,7-8,10H2,2H3,(H,20,21)(H2,22,23,24,27)/t12-/s2
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n/an/a<2.51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US10307414 (2019)

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...)
Show SMILES Cc1cc(O[C@H]2CCN(C2)C(=O)C=C)nc(c1)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1/C15H17N5O3/c1-3-13(21)20-5-4-10(8-20)23-12-7-9(2)6-11(16-12)14-17-15(22)19-18-14/h3,6-7,10H,1,4-5,8H2,2H3,(H2,17,18,19,22)/t10-/s2
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n/an/a<2.51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US10307414 (2019)

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...)
Show SMILES ClCC(=O)N1CC[C@@H](C1)Nc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1/C17H17ClN6O2/c18-8-14(25)24-6-5-11(9-24)19-15-12-4-2-1-3-10(12)7-13(20-15)16-21-17(26)23-22-16/h1-4,7,11H,5-6,8-9H2,(H,19,20)(H2,21,22,23,26)/t11-/s2
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n/an/a<2.51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US10307414 (2019)

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...)
Show SMILES C=CC(=O)N1CC[C@@H](C1)Nc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1/C18H18N6O2/c1-2-15(25)24-8-7-12(10-24)19-16-13-6-4-3-5-11(13)9-14(20-16)17-21-18(26)23-22-17/h2-6,9,12H,1,7-8,10H2,(H,19,20)(H2,21,22,23,26)/t12-/s2
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n/an/a<2.51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


Article DOI: 10.1021/jm031057+
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...)
Show SMILES C=CC(=O)N1CC[C@@H](C1)Nc1nc(cc2cccnc12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1/C17H17N7O2/c1-2-13(25)24-7-5-11(9-24)19-16-14-10(4-3-6-18-14)8-12(20-16)15-21-17(26)23-22-15/h2-4,6,8,11H,1,5,7,9H2,(H,19,20)(H2,21,22,23,26)/t11-/s2
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n/an/a<2.51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2BC41PD
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)...)
Show SMILES C[C@H]1CN(C[C@@H]1Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1)C(=O)C=C
Show InChI InChI=1/C19H19N5O3/c1-3-16(25)24-9-11(2)15(10-24)27-18-13-7-5-4-6-12(13)8-14(20-18)17-21-19(26)23-22-17/h3-8,11,15H,1,9-10H2,2H3,(H2,21,22,23,26)/t11-,15-/s2
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n/an/a<2.51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


Article DOI: 10.1021/jm031057+
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...)
Show SMILES Fc1ccc2cc(nc(N[C@H]3CCN(C3)C(=O)C=C)c2c1)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1/C18H17FN6O2/c1-2-15(26)25-6-5-12(9-25)20-16-13-8-11(19)4-3-10(13)7-14(21-16)17-22-18(27)24-23-17/h2-4,7-8,12H,1,5-6,9H2,(H,20,21)(H2,22,23,24,27)/t12-/s2
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n/an/a<2.51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


Article DOI: 10.1021/jm031057+
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...)
Show SMILES Clc1ccc2cc(nc(N[C@H]3CCN(C3)C(=O)C=C)c2c1)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1/C18H17ClN6O2/c1-2-15(26)25-6-5-12(9-25)20-16-13-8-11(19)4-3-10(13)7-14(21-16)17-22-18(27)24-23-17/h2-4,7-8,12H,1,5-6,9H2,(H,20,21)(H2,22,23,24,27)/t12-/s2
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n/an/a<2.51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


Article DOI: 10.1021/jm031057+
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...)
Show SMILES Clc1cccc2cc(nc(N[C@H]3CCN(C3)C(=O)C=C)c12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1/C18H17ClN6O2/c1-2-14(26)25-7-6-11(9-25)20-17-15-10(4-3-5-12(15)19)8-13(21-17)16-22-18(27)24-23-16/h2-5,8,11H,1,6-7,9H2,(H,20,21)(H2,22,23,24,27)/t11-/s2
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n/an/a<2.51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


Article DOI: 10.1021/jm031057+
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...)
Show SMILES COc1cccc2cc(nc(N[C@H]3CCN(C3)C(=O)C=C)c12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1/C19H20N6O3/c1-3-15(26)25-8-7-12(10-25)20-18-16-11(5-4-6-14(16)28-2)9-13(21-18)17-22-19(27)24-23-17/h3-6,9,12H,1,7-8,10H2,2H3,(H,20,21)(H2,22,23,24,27)/t12-/s2
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n/an/a<2.51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


Article DOI: 10.1021/jm031057+
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...)
Show SMILES Cc1cc(O[C@H]2CCN(C2)C(=O)C=C)nc(c1)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1/C15H17N5O3/c1-3-13(21)20-5-4-10(8-20)23-12-7-9(2)6-11(16-12)14-17-15(22)19-18-14/h3,6-7,10H,1,4-5,8H2,2H3,(H2,17,18,19,22)/t10-/s2
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n/an/a<2.51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


Article DOI: 10.1021/jm031057+
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...)
Show SMILES ClCC(=O)N1CC[C@@H](C1)Nc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1/C17H17ClN6O2/c18-8-14(25)24-6-5-11(9-24)19-15-12-4-2-1-3-10(12)7-13(20-15)16-21-17(26)23-22-16/h1-4,7,11H,5-6,8-9H2,(H,19,20)(H2,21,22,23,26)/t11-/s2
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n/an/a<2.51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


Article DOI: 10.1021/jm031057+
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...)
Show SMILES C=CC(=O)N1CC[C@@H](C1)Nc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1/C18H18N6O2/c1-2-15(25)24-8-7-12(10-24)19-16-13-6-4-3-5-11(13)9-14(20-16)17-21-18(26)23-22-17/h2-6,9,12H,1,7-8,10H2,(H,19,20)(H2,21,22,23,26)/t12-/s2
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n/an/a<2.51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US10307414 (2019)

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...)
Show SMILES Clc1ccc2cc(nc(N[C@H]3CCN(C3)C(=O)C=C)c2c1)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1/C18H17ClN6O2/c1-2-15(26)25-6-5-12(9-25)20-16-13-8-11(19)4-3-10(13)7-14(21-16)17-22-18(27)24-23-17/h2-4,7-8,12H,1,5-6,9H2,(H,20,21)(H2,22,23,24,27)/t12-/s2
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n/an/a<2.51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US10307414 (2019)

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...)
Show SMILES Fc1ccc2cc(nc(N[C@H]3CCN(C3)C(=O)C=C)c2c1)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1/C18H17FN6O2/c1-2-15(26)25-6-5-12(9-25)20-16-13-8-11(19)4-3-10(13)7-14(21-16)17-22-18(27)24-23-17/h2-4,7-8,12H,1,5-6,9H2,(H,20,21)(H2,22,23,24,27)/t12-/s2
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n/an/a<2.51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US10307414 (2019)

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...)
Show SMILES C=CC(=O)N1CC[C@@H](C1)Nc1nc(cc2cccnc12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1/C17H17N7O2/c1-2-13(25)24-7-5-11(9-24)19-16-14-10(4-3-6-18-14)8-12(20-16)15-21-17(26)23-22-15/h2-4,6,8,11H,1,5,7,9H2,(H,19,20)(H2,21,22,23,26)/t11-/s2
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n/an/a<2.51n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US10307414 (2019)

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)...)
Show SMILES C[C@H]1CN(C[C@@H]1Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1)C(=O)C=C
Show InChI InChI=1/C19H19N5O3/c1-3-16(25)24-9-11(2)15(10-24)27-18-13-7-5-4-6-12(13)8-14(20-18)17-21-19(26)23-22-17/h3-8,11,15H,1,9-10H2,2H3,(H2,21,22,23,26)/t11-,15-/s2
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US10307414 (2019)

More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM110223
PNG
(US8618290, 61)
Show SMILES COc1cccc(n1)-c1cc(F)ccc1[C@H]1Cc2nc(N)nc(C)c2C(NO)=N1
Show InChI InChI=1/C20H19FN6O2/c1-10-18-16(26-20(22)23-10)9-15(25-19(18)27-28)12-7-6-11(21)8-13(12)14-4-3-5-17(24-14)29-2/h3-8,15,28H,9H2,1-2H3,(H,25,27)(H2,22,23,26)/t15-/s2
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US Patent
n/an/a 3n/an/an/an/a7.3n/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
An in vitro competition fluorescence polarization assay in which a test compound competes with a fluorescent probe for binding to the binding domain ...


US Patent US8618290 (2013)


BindingDB Entry DOI: 10.7270/Q2D50KM5
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50167916
PNG
(CHEMBL3798615)
Show SMILES FC(F)(F)c1cc(-c2cncc(c2)C#N)c2cn[nH]c2c1
Show InChI InChI=1S/C14H7F3N4/c15-14(16,17)10-2-11(12-7-20-21-13(12)3-10)9-1-8(4-18)5-19-6-9/h1-3,5-7H,(H,20,21)
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n/an/a 3n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Reversal inhibition of full length recombinant human MetAP2 expressed in baculovirus infected insect Sf9 cells using Met-AMC as substrate measured fo...


Bioorg Med Chem Lett 26: 2774-2778 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.073
BindingDB Entry DOI: 10.7270/Q2DF6T4T
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...)
Show SMILES C=CC(=O)N1CC[C@@H](C1)Oc1nc(cc2cccnc12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1/C17H16N6O3/c1-2-13(24)23-7-5-11(9-23)26-16-14-10(4-3-6-18-14)8-12(19-16)15-20-17(25)22-21-15/h2-4,6,8,11H,1,5,7,9H2,(H2,20,21,22,25)/t11-/s2
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US Patent
n/an/a<3.16n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US10307414 (2019)

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...)
Show SMILES CN([C@H]1CCN(C1)C(=O)C=C)c1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1/C19H20N6O2/c1-3-16(26)25-9-8-13(11-25)24(2)18-14-7-5-4-6-12(14)10-15(20-18)17-21-19(27)23-22-17/h3-7,10,13H,1,8-9,11H2,2H3,(H2,21,22,23,27)/t13-/s2
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n/an/a 3.16n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2BC41PD
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...)
Show SMILES CN([C@H]1CCN(C1)C(=O)C=C)c1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1/C19H20N6O2/c1-3-16(26)25-9-8-13(11-25)24(2)18-14-7-5-4-6-12(14)10-15(20-18)17-21-19(27)23-22-17/h3-7,10,13H,1,8-9,11H2,2H3,(H2,21,22,23,27)/t13-/s2
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n/an/a 3.16n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US10307414 (2019)

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...)
Show SMILES C=CC(=O)N1CC[C@@H](C1)Oc1nc(cc2cccnc12)-c1n[nH]c(=O)[nH]1
Show InChI InChI=1/C17H16N6O3/c1-2-13(24)23-7-5-11(9-23)26-16-14-10(4-3-6-18-14)8-12(19-16)15-20-17(25)22-21-15/h2-4,6,8,11H,1,5,7,9H2,(H2,20,21,22,25)/t11-/s2
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n/an/a<3.16n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...


US Patent US9801872 (2017)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2BC41PD
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM50238084
PNG
(CHEMBL4085333)
Show SMILES CC(O)Cn1ncc2nccc(Nc3cc(ncc3C)-c3cc(F)ccc3F)c12
Show InChI InChI=1/C21H19F2N5O/c1-12-9-25-19(15-7-14(22)3-4-16(15)23)8-18(12)27-17-5-6-24-20-10-26-28(21(17)20)11-13(2)29/h3-10,13,29H,11H2,1-2H3,(H,24,25,27)
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n/an/a 3.20n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST tagged human ALK5 (200 to 503 residues) expressed in baculovirus expression system using FAM-NH2-KVLTQMGSPSI...


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))
BDBM50238074
PNG
(CHEMBL4075003)
Show SMILES Cc1ccc(F)c(c1)-c1cc(Nc2ccnc3cnn(CC(N)=O)c23)c(C)cn1
Show InChI InChI=1S/C21H19FN6O/c1-12-3-4-15(22)14(7-12)18-8-17(13(2)9-25-18)27-16-5-6-24-19-10-26-28(21(16)19)11-20(23)29/h3-10H,11H2,1-2H3,(H2,23,29)(H,24,25,27)
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n/an/a 3.20n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST tagged human ALK5 (200 to 503 residues) expressed in baculovirus expression system using FAM-NH2-KVLTQMGSPSI...


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
Show InChI InChI=1S/C19H14ClFN6O/c1-22-19(28)27-18-15(5-7-24-17(18)10-25-27)26-12-4-6-23-16(9-12)13-8-11(20)2-3-14(13)21/h2-10H,1H3,(H,22,28)(H,23,24,26)
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n/an/a 3.20n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST tagged human ALK5 (200 to 503 residues) expressed in baculovirus expression system using FAM-NH2-KVLTQMGSPSI...


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 receptor UFO


(Homo sapiens (Human))
BDBM50234303
PNG
(CHEMBL4066616)
Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)c1csc(n1)-c1cc(ccc1NC(=O)c1ncc[nH]1)N1CCOCC1
Show InChI InChI=1/C23H28N6O4S2/c1-35(31,32)29-8-2-3-16(14-29)20-15-34-23(27-20)18-13-17(28-9-11-33-12-10-28)4-5-19(18)26-22(30)21-24-6-7-25-21/h4-7,13,15-16H,2-3,8-12,14H2,1H3,(H,24,25)(H,26,30)/t16-/s2
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n/an/a 3.40n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of Axl (unknown origin)


Bioorg Med Chem Lett 27: 1099-1104 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.024
BindingDB Entry DOI: 10.7270/Q2D50Q6F
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
Show InChI InChI=1S/C20H18FN5/c1-12-4-5-15(21)14(8-12)18-9-17(13(2)10-23-18)25-16-6-7-22-19-11-24-26(3)20(16)19/h4-11H,1-3H3,(H,22,23,25)
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n/an/a 4n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST tagged human ALK5 (200 to 503 residues) expressed in baculovirus expression system using FAM-NH2-KVLTQMGSPSI...


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))
BDBM50238057
PNG
(CHEMBL4085263)
Show SMILES Cc1ccc(F)c(c1)-c1cc(Nc2ccnc3cn(C)nc23)c(C)cn1
Show InChI InChI=1S/C20H18FN5/c1-12-4-5-15(21)14(8-12)18-9-17(13(2)10-23-18)24-16-6-7-22-19-11-26(3)25-20(16)19/h4-11H,1-3H3,(H,23,24)
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Takeda California

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST tagged human ALK5 (200 to 503 residues) expressed in baculovirus expression system using FAM-NH2-KVLTQMGSPSI...


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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