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Compile Data Set for Download or QSAR

Found 292 hits with Last Name = 'hartung' and Initial = 'iv'   
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
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))
BDBM50180955
PNG
(CHEMBL3818617)
Show SMILES CCN([C@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO
Show InChI InChI=1/C22H20Cl2F2N6O3/c1-2-31(19(34)11-33)18-10-32(30-20(18)13-6-7-16(23)17(24)8-13)22(28-12-27)29-14-4-3-5-15(9-14)35-21(25)26/h3-9,18,21,33H,2,10-11H2,1H3,(H,28,29)/t18-/s2
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8n/an/an/an/an/an/an/an/a



BAYER Pharma AG

Curated by ChEMBL


Assay Description
Competitive inhibition of full length 6xHis-tagged SMYD2 (unknown origin) expressed in Escherichia coli using varying levels of Btn-Ahx-GSRAHSSHLKSKK...


J Med Chem 59: 4578-600 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01890
BindingDB Entry DOI: 10.7270/Q2RN39S5
More data for this
Ligand-Target Pair
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))
BDBM50180955
PNG
(CHEMBL3818617)
Show SMILES CCN([C@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO
Show InChI InChI=1/C22H20Cl2F2N6O3/c1-2-31(19(34)11-33)18-10-32(30-20(18)13-6-7-16(23)17(24)8-13)22(28-12-27)29-14-4-3-5-15(9-14)35-21(25)26/h3-9,18,21,33H,2,10-11H2,1H3,(H,28,29)/t18-/s2
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28n/an/an/an/an/an/an/an/a



BAYER Pharma AG

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of full length 6xHis-tagged SMYD2 (unknown origin) expressed in Escherichia coli using fixed levels of Btn-Ahx-GSRAHSSHLKSKK...


J Med Chem 59: 4578-600 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01890
BindingDB Entry DOI: 10.7270/Q2RN39S5
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50134989
PNG
(CHEMBL3746640)
Show SMILES NC(=O)c1c(Oc2cccc(CNS(N)(=O)=O)c2)cc(F)c(F)c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C20H16F3IN4O4S/c21-13-7-11(24)4-5-15(13)28-19-17(20(25)29)16(8-14(22)18(19)23)32-12-3-1-2-10(6-12)9-27-33(26,30)31/h1-8,27-28H,9H2,(H2,25,29)(H2,26,30,31)
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n/an/a 1.80n/an/an/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of MEK1 in human HeLa-MaTu matched pair cells assessed as reduction in ERK phosphorylation


Bioorg Med Chem Lett 26: 186-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.004
BindingDB Entry DOI: 10.7270/Q26M38NN
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50266307
PNG
(CHEMBL4062266)
Show SMILES CCCNc1ccc2C(=O)N(C(=O)c3cccc1c23)c1cc2n(C)c(=O)n(C)c2cc1C
Show InChI InChI=1S/C25H24N4O3/c1-5-11-26-18-10-9-17-22-15(18)7-6-8-16(22)23(30)29(24(17)31)19-13-21-20(12-14(19)2)27(3)25(32)28(21)4/h6-10,12-13,26H,5,11H2,1-4H3
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n/an/a 3n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged TAF1 BD2 (1519 to 1651 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed ...


J Med Chem 60: 4002-4022 (2017)

More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50266304
PNG
(CHEMBL4072812)
Show SMILES CN1CCN(CC1)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1cc2n(C)c(=O)n(C)c2cc1C
Show InChI InChI=1S/C27H27N5O3/c1-16-14-22-23(30(4)27(35)29(22)3)15-21(16)32-25(33)18-7-5-6-17-20(31-12-10-28(2)11-13-31)9-8-19(24(17)18)26(32)34/h5-9,14-15H,10-13H2,1-4H3
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n/an/a 4n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged TAF1 BD2 (1519 to 1651 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed ...


J Med Chem 60: 4002-4022 (2017)

More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50266297
PNG
(CHEMBL4086958)
Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3c(Br)ccc(C1=O)c23
Show InChI InChI=1S/C22H16BrN3O3/c1-11-9-17-18(25(3)22(29)24(17)2)10-16(11)26-20(27)13-6-4-5-12-15(23)8-7-14(19(12)13)21(26)28/h4-10H,1-3H3
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n/an/a 4n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged TAF1 BD2 (1519 to 1651 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed ...


J Med Chem 60: 4002-4022 (2017)

More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50266322
PNG
(CHEMBL4091912)
Show SMILES CN(CCN1CCCC1)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1cc2n(C)c(=O)n(C)c2cc1C
Show InChI InChI=1S/C29H31N5O3/c1-18-16-24-25(32(4)29(37)31(24)3)17-23(18)34-27(35)20-9-7-8-19-22(11-10-21(26(19)20)28(34)36)30(2)14-15-33-12-5-6-13-33/h7-11,16-17H,5-6,12-15H2,1-4H3
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n/an/a 6n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged TAF1 BD2 (1519 to 1651 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed ...


J Med Chem 60: 4002-4022 (2017)

More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50266338
PNG
(CHEMBL4059651)
Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3c(CCCCO)ccc(C1=O)c23
Show InChI InChI=1S/C26H25N3O4/c1-15-13-21-22(28(3)26(33)27(21)2)14-20(15)29-24(31)18-9-6-8-17-16(7-4-5-12-30)10-11-19(23(17)18)25(29)32/h6,8-11,13-14,30H,4-5,7,12H2,1-3H3
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n/an/a 7n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged TAF1 BD2 (1519 to 1651 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed ...


J Med Chem 60: 4002-4022 (2017)

More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50266306
PNG
(CHEMBL4092917)
Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCCCC1
Show InChI InChI=1S/C27H26N4O3/c1-16-14-22-23(29(3)27(34)28(22)2)15-21(16)31-25(32)18-9-7-8-17-20(30-12-5-4-6-13-30)11-10-19(24(17)18)26(31)33/h7-11,14-15H,4-6,12-13H2,1-3H3
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n/an/a 7n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged TAF1 BD2 (1519 to 1651 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed ...


J Med Chem 60: 4002-4022 (2017)

More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50266298
PNG
(CHEMBL4075478)
Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3c(Cl)ccc(C1=O)c23
Show InChI InChI=1S/C22H16ClN3O3/c1-11-9-17-18(25(3)22(29)24(17)2)10-16(11)26-20(27)13-6-4-5-12-15(23)8-7-14(19(12)13)21(26)28/h4-10H,1-3H3
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n/an/a 8n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged TAF1 BD2 (1519 to 1651 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed ...


J Med Chem 60: 4002-4022 (2017)

More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50266285
PNG
(CHEMBL4086276)
Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3c(CCCO)ccc(C1=O)c23
Show InChI InChI=1S/C25H23N3O4/c1-14-12-20-21(27(3)25(32)26(20)2)13-19(14)28-23(30)17-8-4-7-16-15(6-5-11-29)9-10-18(22(16)17)24(28)31/h4,7-10,12-13,29H,5-6,11H2,1-3H3
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n/an/a 8n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged TAF1 BD2 (1519 to 1651 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed ...


J Med Chem 60: 4002-4022 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50134989
PNG
(CHEMBL3746640)
Show SMILES NC(=O)c1c(Oc2cccc(CNS(N)(=O)=O)c2)cc(F)c(F)c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C20H16F3IN4O4S/c21-13-7-11(24)4-5-15(13)28-19-17(20(25)29)16(8-14(22)18(19)23)32-12-3-1-2-10(6-12)9-27-33(26,30)31/h1-8,27-28H,9H2,(H2,25,29)(H2,26,30,31)
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n/an/a 8.70n/an/an/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of MEK1 in human HeLa-MaTu-ADR matched pair cells assessed as reduction in ERK phosphorylation


Bioorg Med Chem Lett 26: 186-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.004
BindingDB Entry DOI: 10.7270/Q26M38NN
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50134978
PNG
(CHEMBL3747294)
Show SMILES CN(C)S(=O)(=O)Nc1cccc(Oc2cc(F)c(F)c(Nc3ccc(I)cc3F)c2C(N)=O)c1
Show InChI InChI=1S/C21H18F3IN4O4S/c1-29(2)34(31,32)28-12-4-3-5-13(9-12)33-17-10-15(23)19(24)20(18(17)21(26)30)27-16-7-6-11(25)8-14(16)22/h3-10,27-28H,1-2H3,(H2,26,30)
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n/an/a 10n/an/an/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis


Bioorg Med Chem Lett 26: 186-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.004
BindingDB Entry DOI: 10.7270/Q26M38NN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50181506
PNG
(CHEMBL3819038)
Show SMILES CCN(C1CN(N=C1c1ccc(Cl)cc1)C(\NCCc1cccc(Cl)c1)=N/C#N)C(=O)CO
Show InChI InChI=1/C23H24Cl2N6O2/c1-2-30(21(33)14-32)20-13-31(29-22(20)17-6-8-18(24)9-7-17)23(28-15-26)27-11-10-16-4-3-5-19(25)12-16/h3-9,12,20,32H,2,10-11,13-14H2,1H3,(H,27,28)
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n/an/a 10n/an/an/an/an/an/a



BAYER Pharma AG

Curated by ChEMBL


Assay Description
Antagonist activity at PAR1 (unknown origin)


J Med Chem 59: 4578-600 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01890
BindingDB Entry DOI: 10.7270/Q2RN39S5
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50266285
PNG
(CHEMBL4086276)
Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3c(CCCO)ccc(C1=O)c23
Show InChI InChI=1S/C25H23N3O4/c1-14-12-20-21(27(3)25(32)26(20)2)13-19(14)28-23(30)17-8-4-7-16-15(6-5-11-29)9-10-18(22(16)17)24(28)31/h4,7-10,12-13,29H,5-6,11H2,1-3H3
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n/an/a 11n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged TAF1 BD2 (1519 to 1651 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed ...


J Med Chem 60: 4002-4022 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50134968
PNG
(CHEMBL3746569)
Show SMILES NCCS(=O)(=O)Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1
Show InChI InChI=1S/C21H19F2IN4O4S/c22-12-8-18(27-17-5-4-13(24)10-16(17)23)20(21(26)29)19(9-12)32-15-3-1-2-14(11-15)28-33(30,31)7-6-25/h1-5,8-11,27-28H,6-7,25H2,(H2,26,29)
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n/an/a 11n/an/an/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis


Bioorg Med Chem Lett 26: 186-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.004
BindingDB Entry DOI: 10.7270/Q26M38NN
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50134971
PNG
(CHEMBL3747066)
Show SMILES CCS(=O)(=O)Nc1cccc(Oc2cc(F)c(F)c(Nc3ccc(I)cc3F)c2C(N)=O)c1
Show InChI InChI=1S/C21H17F3IN3O4S/c1-2-33(30,31)28-12-4-3-5-13(9-12)32-17-10-15(23)19(24)20(18(17)21(26)29)27-16-7-6-11(25)8-14(16)22/h3-10,27-28H,2H2,1H3,(H2,26,29)
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n/an/a 12n/an/an/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis


Bioorg Med Chem Lett 26: 186-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.004
BindingDB Entry DOI: 10.7270/Q26M38NN
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM104963
PNG
(CHEMBL507361 | US8575391, Q)
Show SMILES OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F
Show InChI InChI=1/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/s2
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n/an/a 13n/an/an/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis


Bioorg Med Chem Lett 26: 186-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.004
BindingDB Entry DOI: 10.7270/Q26M38NN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50266300
PNG
(CHEMBL4077317)
Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3cc(O)cc(C1=O)c23
Show InChI InChI=1S/C22H17N3O4/c1-11-7-17-18(24(3)22(29)23(17)2)10-16(11)25-20(27)14-6-4-5-12-8-13(26)9-15(19(12)14)21(25)28/h4-10,26H,1-3H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged TAF1 BD2 (1519 to 1651 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed ...


J Med Chem 60: 4002-4022 (2017)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50134976
PNG
(CHEMBL3746736)
Show SMILES NC(=O)c1c(Oc2cccc(NS(N)(=O)=O)c2)cc(F)c(F)c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C19H14F3IN4O4S/c20-12-6-9(23)4-5-14(12)26-18-16(19(24)28)15(8-13(21)17(18)22)31-11-3-1-2-10(7-11)27-32(25,29)30/h1-8,26-27H,(H2,24,28)(H2,25,29,30)
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Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis


Bioorg Med Chem Lett 26: 186-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.004
BindingDB Entry DOI: 10.7270/Q26M38NN
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50134925
PNG
(CHEMBL2376666)
Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1cccc(NS(N)(=O)=O)c1
Show InChI InChI=1S/C19H15F2IN4O4S/c20-10-6-16(25-15-5-4-11(22)8-14(15)21)18(19(23)27)17(7-10)30-13-3-1-2-12(9-13)26-31(24,28)29/h1-9,25-26H,(H2,23,27)(H2,24,28,29)
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Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis


Bioorg Med Chem Lett 26: 186-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.004
BindingDB Entry DOI: 10.7270/Q26M38NN
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50355497
PNG
(AZD-6244 | CHEMBL1614701)
Show SMILES Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
Show InChI InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)
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Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of MEK1 in human HeLa-MaTu matched pair cells assessed as reduction in ERK phosphorylation


Bioorg Med Chem Lett 26: 186-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.004
BindingDB Entry DOI: 10.7270/Q26M38NN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50134986
PNG
(CHEMBL3746559)
Show SMILES NC(=O)c1c(Oc2ccc(F)c(NS(N)(=O)=O)c2)cc(F)c(F)c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C19H13F4IN4O4S/c20-10-3-2-9(6-14(10)28-33(26,30)31)32-15-7-12(22)17(23)18(16(15)19(25)29)27-13-4-1-8(24)5-11(13)21/h1-7,27-28H,(H2,25,29)(H2,26,30,31)
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Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis


Bioorg Med Chem Lett 26: 186-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.004
BindingDB Entry DOI: 10.7270/Q26M38NN
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50135016
PNG
(CHEMBL3747047)
Show SMILES Cc1c(NS(N)(=O)=O)cccc1Oc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1C(N)=O
Show InChI InChI=1S/C20H16F3IN4O4S/c1-9-13(28-33(26,30)31)3-2-4-15(9)32-16-8-12(22)18(23)19(17(16)20(25)29)27-14-6-5-10(24)7-11(14)21/h2-8,27-28H,1H3,(H2,25,29)(H2,26,30,31)
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Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis


Bioorg Med Chem Lett 26: 186-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.004
BindingDB Entry DOI: 10.7270/Q26M38NN
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50266340
PNG
(CHEMBL4076067)
Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCN(CC2CC2)CC1
Show InChI InChI=1S/C30H31N5O3/c1-18-15-25-26(32(3)30(38)31(25)2)16-24(18)35-28(36)21-6-4-5-20-23(10-9-22(27(20)21)29(35)37)34-13-11-33(12-14-34)17-19-7-8-19/h4-6,9-10,15-16,19H,7-8,11-14,17H2,1-3H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged TAF1 BD2 (1519 to 1651 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed ...


J Med Chem 60: 4002-4022 (2017)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50134973
PNG
(CHEMBL3746467)
Show SMILES CCS(=O)(=O)Nc1cccc(Oc2c(F)c(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1
Show InChI InChI=1S/C21H17F3IN3O4S/c1-2-33(30,31)28-12-4-3-5-13(9-12)32-20-18(21(26)29)17(10-15(23)19(20)24)27-16-7-6-11(25)8-14(16)22/h3-10,27-28H,2H2,1H3,(H2,26,29)
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Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis


Bioorg Med Chem Lett 26: 186-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.004
BindingDB Entry DOI: 10.7270/Q26M38NN
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50266305
PNG
(CHEMBL4104538)
Show SMILES COC1CCN(CC1)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1cc2n(C)c(=O)n(C)c2cc1C
Show InChI InChI=1S/C28H28N4O4/c1-16-14-23-24(30(3)28(35)29(23)2)15-22(16)32-26(33)19-7-5-6-18-21(9-8-20(25(18)19)27(32)34)31-12-10-17(36-4)11-13-31/h5-9,14-15,17H,10-13H2,1-4H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged TAF1 BD2 (1519 to 1651 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed ...


J Med Chem 60: 4002-4022 (2017)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50134938
PNG
(CHEMBL3747256)
Show SMILES Cc1c(NS(N)(=O)=O)cccc1Oc1cc(F)cc(Nc2ccc(I)cc2F)c1C(N)=O
Show InChI InChI=1S/C20H17F2IN4O4S/c1-10-14(27-32(25,29)30)3-2-4-17(10)31-18-8-11(21)7-16(19(18)20(24)28)26-15-6-5-12(23)9-13(15)22/h2-9,26-27H,1H3,(H2,24,28)(H2,25,29,30)
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Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis


Bioorg Med Chem Lett 26: 186-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.004
BindingDB Entry DOI: 10.7270/Q26M38NN
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50134927
PNG
(CHEMBL3747136)
Show SMILES CCNS(=O)(=O)Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1
Show InChI InChI=1S/C21H19F2IN4O4S/c1-2-26-33(30,31)28-14-4-3-5-15(11-14)32-19-9-12(22)8-18(20(19)21(25)29)27-17-7-6-13(24)10-16(17)23/h3-11,26-28H,2H2,1H3,(H2,25,29)
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Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis


Bioorg Med Chem Lett 26: 186-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.004
BindingDB Entry DOI: 10.7270/Q26M38NN
More data for this
Ligand-Target Pair
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))
BDBM50075102
PNG
(CHEMBL3414623)
Show SMILES Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
Show InChI InChI=1S/C36H42N6O/c1-28-27-42(34-11-4-2-9-32(28)34)22-19-40-17-20-41(21-18-40)35-12-5-3-10-33(35)30-23-29(26-37)24-31(25-30)36(43)38-13-8-16-39-14-6-7-15-39/h2-5,9-12,23-25,27H,6-8,13-22H2,1H3,(H,38,43)
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BAYER Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of SMYD2 (unknown origin) expressed in Escherichia coli BL21 (DE3) using Biotinaminohexanoyl-GSRAHSSHLKSKKGQSTSRH as substrate after 75 mi...


J Med Chem 59: 4578-600 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01890
BindingDB Entry DOI: 10.7270/Q2RN39S5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50266301
PNG
(CHEMBL4081145)
Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3cc(Br)cc(C1=O)c23
Show InChI InChI=1S/C22H16BrN3O3/c1-11-7-17-18(25(3)22(29)24(17)2)10-16(11)26-20(27)14-6-4-5-12-8-13(23)9-15(19(12)14)21(26)28/h4-10H,1-3H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged TAF1 BD2 (1519 to 1651 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed ...


J Med Chem 60: 4002-4022 (2017)

More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50266285
PNG
(CHEMBL4086276)
Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3c(CCCO)ccc(C1=O)c23
Show InChI InChI=1S/C25H23N3O4/c1-14-12-20-21(27(3)25(32)26(20)2)13-19(14)28-23(30)17-8-4-7-16-15(6-5-11-29)9-10-18(22(16)17)24(28)31/h4,7-10,12-13,29H,5-6,11H2,1-3H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged TAF1 BD2 (1519 to 1651 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed ...


J Med Chem 60: 4002-4022 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50134939
PNG
(CHEMBL3747359)
Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1cccc(NS(N)(=O)=O)c1Cl
Show InChI InChI=1S/C19H14ClF2IN4O4S/c20-18-13(27-32(25,29)30)2-1-3-15(18)31-16-7-9(21)6-14(17(16)19(24)28)26-12-5-4-10(23)8-11(12)22/h1-8,26-27H,(H2,24,28)(H2,25,29,30)
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Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis


Bioorg Med Chem Lett 26: 186-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.004
BindingDB Entry DOI: 10.7270/Q26M38NN
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50266303
PNG
(CHEMBL4065133)
Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCC(O)CC1
Show InChI InChI=1S/C27H26N4O4/c1-15-13-22-23(29(3)27(35)28(22)2)14-21(15)31-25(33)18-6-4-5-17-20(30-11-9-16(32)10-12-30)8-7-19(24(17)18)26(31)34/h4-8,13-14,16,32H,9-12H2,1-3H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged TAF1 BD2 (1519 to 1651 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed ...


J Med Chem 60: 4002-4022 (2017)

More data for this
Ligand-Target Pair
SET and MYND domain-containing protein 2 (SMYD2)


(Homo sapiens (Human))
BDBM50180967
PNG
(CHEMBL3818487)
Show SMILES CCN([C@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cc(F)cc(OC(F)F)c1)=N/C#N)C(=O)CO
Show InChI InChI=1/C22H19Cl2F3N6O3/c1-2-32(19(35)10-34)18-9-33(31-20(18)12-3-4-16(23)17(24)5-12)22(29-11-28)30-14-6-13(25)7-15(8-14)36-21(26)27/h3-8,18,21,34H,2,9-10H2,1H3,(H,29,30)/t18-/s2
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BAYER Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of SMYD2 (unknown origin) using H4 as substrate after 2hrs in presence 3H-SAM of by scintillation proximity assay


J Med Chem 59: 4578-600 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01890
BindingDB Entry DOI: 10.7270/Q2RN39S5
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50134926
PNG
(CHEMBL2376663)
Show SMILES CN(C)S(=O)(=O)Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1
Show InChI InChI=1S/C21H19F2IN4O4S/c1-28(2)33(30,31)27-14-4-3-5-15(11-14)32-19-9-12(22)8-18(20(19)21(25)29)26-17-7-6-13(24)10-16(17)23/h3-11,26-27H,1-2H3,(H2,25,29)
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Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis


Bioorg Med Chem Lett 26: 186-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.004
BindingDB Entry DOI: 10.7270/Q26M38NN
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50134989
PNG
(CHEMBL3746640)
Show SMILES NC(=O)c1c(Oc2cccc(CNS(N)(=O)=O)c2)cc(F)c(F)c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C20H16F3IN4O4S/c21-13-7-11(24)4-5-15(13)28-19-17(20(25)29)16(8-14(22)18(19)23)32-12-3-1-2-10(6-12)9-27-33(26,30)31/h1-8,27-28H,9H2,(H2,25,29)(H2,26,30,31)
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Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis


Bioorg Med Chem Lett 26: 186-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.004
BindingDB Entry DOI: 10.7270/Q26M38NN
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50134996
PNG
(CHEMBL3746031)
Show SMILES NC(=O)c1c(Oc2cccc(CS(N)(=O)=O)c2)cc(F)c(F)c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C20H15F3IN3O4S/c21-13-7-11(24)4-5-15(13)27-19-17(20(25)28)16(8-14(22)18(19)23)31-12-3-1-2-10(6-12)9-32(26,29)30/h1-8,27H,9H2,(H2,25,28)(H2,26,29,30)
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Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis


Bioorg Med Chem Lett 26: 186-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.004
BindingDB Entry DOI: 10.7270/Q26M38NN
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50266341
PNG
(CHEMBL4099171)
Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3cc(cc(C1=O)c23)C#N
Show InChI InChI=1S/C23H16N4O3/c1-12-7-18-19(26(3)23(30)25(18)2)10-17(12)27-21(28)15-6-4-5-14-8-13(11-24)9-16(20(14)15)22(27)29/h4-10H,1-3H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged TAF1 BD2 (1519 to 1651 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed ...


J Med Chem 60: 4002-4022 (2017)

More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50266314
PNG
(CHEMBL4064164)
Show SMILES CN(C)CCN1CCN(CC1)c1ccc2C(=O)N(C(=O)c3cccc1c23)c1cc2n(C)c(=O)n(C)c2cc1C
Show InChI InChI=1S/C30H34N6O3/c1-19-17-25-26(33(5)30(39)32(25)4)18-24(19)36-28(37)21-8-6-7-20-23(10-9-22(27(20)21)29(36)38)35-15-13-34(14-16-35)12-11-31(2)3/h6-10,17-18H,11-16H2,1-5H3
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n/an/a 25n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged TAF1 BD2 (1519 to 1651 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed ...


J Med Chem 60: 4002-4022 (2017)

More data for this
Ligand-Target Pair
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))
BDBM50180955
PNG
(CHEMBL3818617)
Show SMILES CCN([C@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO
Show InChI InChI=1/C22H20Cl2F2N6O3/c1-2-31(19(34)11-33)18-10-32(30-20(18)13-6-7-16(23)17(24)8-13)22(28-12-27)29-14-4-3-5-15(9-14)35-21(25)26/h3-9,18,21,33H,2,10-11H2,1H3,(H,28,29)/t18-/s2
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n/an/a 27n/an/an/an/an/an/a



BAYER Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of full length 6xHis-tagged SMYD2 (unknown origin) expressed in Escherichia coli using Btn-Ahx GSRAHSSHLKSKKGQSTSRH-amide as substrate aft...


J Med Chem 59: 4578-600 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01890
BindingDB Entry DOI: 10.7270/Q2RN39S5
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50135003
PNG
(CHEMBL3746103)
Show SMILES NC(=O)c1c(Oc2ccc(F)c(NS(N)(=O)=O)c2F)cc(F)c(F)c1Nc1ccc(I)cc1F
Show InChI InChI=1S/C19H12F5IN4O4S/c20-8-2-4-12(16(24)17(8)29-34(27,31)32)33-13-6-10(22)15(23)18(14(13)19(26)30)28-11-3-1-7(25)5-9(11)21/h1-6,28-29H,(H2,26,30)(H2,27,31,32)
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n/an/a 28n/an/an/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis


Bioorg Med Chem Lett 26: 186-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.004
BindingDB Entry DOI: 10.7270/Q26M38NN
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50181504
PNG
(CHEMBL3818898)
Show SMILES CCCCN\C(=N\C#N)N1CC(N(CC)C(=O)CO)C(=N1)c1ccc(Cl)cc1
Show InChI InChI=1/C19H25ClN6O2/c1-3-5-10-22-19(23-13-21)26-11-16(25(4-2)17(28)12-27)18(24-26)14-6-8-15(20)9-7-14/h6-9,16,27H,3-5,10-12H2,1-2H3,(H,22,23)
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n/an/a 30n/an/an/an/an/an/a



BAYER Pharma AG

Curated by ChEMBL


Assay Description
Antagonist activity at PAR1 (unknown origin)


J Med Chem 59: 4578-600 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01890
BindingDB Entry DOI: 10.7270/Q2RN39S5
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50181502
PNG
(CHEMBL3818510)
Show SMILES CCN(C1CN(N=C1c1ccc(Cl)cc1)C(\Nc1ccc(Cl)c(Cl)c1)=N/C#N)C(=O)COC
Show InChI InChI=1/C22H21Cl3N6O2/c1-3-30(20(32)12-33-2)19-11-31(29-21(19)14-4-6-15(23)7-5-14)22(27-13-26)28-16-8-9-17(24)18(25)10-16/h4-10,19H,3,11-12H2,1-2H3,(H,27,28)
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BAYER Pharma AG

Curated by ChEMBL


Assay Description
Antagonist activity at PAR1 (unknown origin)


J Med Chem 59: 4578-600 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01890
BindingDB Entry DOI: 10.7270/Q2RN39S5
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50355497
PNG
(AZD-6244 | CHEMBL1614701)
Show SMILES Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO
Show InChI InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)
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n/an/a 31n/an/an/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis


Bioorg Med Chem Lett 26: 186-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.004
BindingDB Entry DOI: 10.7270/Q26M38NN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50134940
PNG
(CHEMBL3746537)
Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1cccc(NS(N)(=O)=O)c1Br
Show InChI InChI=1S/C19H14BrF2IN4O4S/c20-18-13(27-32(25,29)30)2-1-3-15(18)31-16-7-9(21)6-14(17(16)19(24)28)26-12-5-4-10(23)8-11(12)22/h1-8,26-27H,(H2,24,28)(H2,25,29,30)
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n/an/a 32n/an/an/an/an/an/a



Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis


Bioorg Med Chem Lett 26: 186-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.004
BindingDB Entry DOI: 10.7270/Q26M38NN
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50134965
PNG
(CHEMBL2376667)
Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1cccc(CS(N)(=O)=O)c1
Show InChI InChI=1S/C20H16F2IN3O4S/c21-12-7-17(26-16-5-4-13(23)9-15(16)22)19(20(24)27)18(8-12)30-14-3-1-2-11(6-14)10-31(25,28)29/h1-9,26H,10H2,(H2,24,27)(H2,25,28,29)
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Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis


Bioorg Med Chem Lett 26: 186-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.004
BindingDB Entry DOI: 10.7270/Q26M38NN
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1


(Homo sapiens (Human))
BDBM50266326
PNG
(CHEMBL4076603)
Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3cc(N)cc(C1=O)c23
Show InChI InChI=1S/C22H18N4O3/c1-11-7-17-18(25(3)22(29)24(17)2)10-16(11)26-20(27)14-6-4-5-12-8-13(23)9-15(19(12)14)21(26)28/h4-10H,23H2,1-3H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged TAF1 BD2 (1519 to 1651 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed ...


J Med Chem 60: 4002-4022 (2017)

More data for this
Ligand-Target Pair
Bromodomain-containing protein 1


(Homo sapiens (Human))
BDBM50266298
PNG
(CHEMBL4075478)
Show SMILES Cc1cc2n(C)c(=O)n(C)c2cc1N1C(=O)c2cccc3c(Cl)ccc(C1=O)c23
Show InChI InChI=1S/C22H16ClN3O3/c1-11-9-17-18(25(3)22(29)24(17)2)10-16(11)26-20(27)13-6-4-5-12-15(23)8-7-14(19(12)13)21(26)28/h4-10H,1-3H3
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of human BRPF2 (563 to 688 residues) expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 preincubated for 15 mins followed by addition of C...


J Med Chem 60: 4002-4022 (2017)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50134969
PNG
(CHEMBL3746923)
Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1cccc(CNS(N)(=O)=O)c1
Show InChI InChI=1S/C20H17F2IN4O4S/c21-12-7-17(27-16-5-4-13(23)9-15(16)22)19(20(24)28)18(8-12)31-14-3-1-2-11(6-14)10-26-32(25,29)30/h1-9,26-27H,10H2,(H2,24,28)(H2,25,29,30)
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Bayer HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis


Bioorg Med Chem Lett 26: 186-93 (2015)


Article DOI: 10.1016/j.bmcl.2015.11.004
BindingDB Entry DOI: 10.7270/Q26M38NN
More data for this
Ligand-Target Pair
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