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PubMed code 11784156

Compile data set for download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
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
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of MEK1 phosphorylation by activated human recombinant Raf


J Med Chem 45: 529-32 (2002)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1


J Med Chem 45: 529-32 (2002)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50108776
PNG
(4-(2-Amino-5-oxo-3,5-dihydro-imidazol-4-ylidene)-2...)
Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]c(Br)cc12 |w:3.3,t:1|
Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)
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n/an/a 6n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1


J Med Chem 45: 529-32 (2002)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM7491
PNG
((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...)
Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)cc12 |w:7.19,t:1|
Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)
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n/an/a 9n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1


J Med Chem 45: 529-32 (2002)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50108774
PNG
(2-Bromo-6,7-dihydro-1H,5H-pyrrolo[2,3-c]azepine-4,...)
Show SMILES Brc1cc2c([nH]1)C(=O)NCCC2=O
Show InChI InChI=1S/C8H7BrN2O2/c9-6-3-4-5(12)1-2-10-8(13)7(4)11-6/h3,11H,1-2H2,(H,10,13)
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n/an/a 539n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1


J Med Chem 45: 529-32 (2002)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50363645
PNG
(DEBROMOHYMENIALDISINE)
Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.8,t:1|
Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)
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n/an/a 824n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1


J Med Chem 45: 529-32 (2002)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM59117
PNG
(CHEMBL151430 | Hymenialdisine, 11b)
Show SMILES Nc1ncc([nH]1)C1CCNC(=O)c2[nH]c(Br)c(Br)c12
Show InChI InChI=1S/C11H11Br2N5O/c12-7-6-4(5-3-16-11(14)17-5)1-2-15-10(19)8(6)18-9(7)13/h3-4,18H,1-2H2,(H,15,19)(H3,14,16,17)
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n/an/a 1.29E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1


J Med Chem 45: 529-32 (2002)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50108773
PNG
(4,5-Dibromo-1H-pyrrole-2-carboxylic acid amide | 4...)
Show SMILES NC(=O)c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C5H4Br2N2O/c6-2-1-3(5(8)10)9-4(2)7/h1,9H,(H2,8,10)
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n/an/a>2.50E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1


J Med Chem 45: 529-32 (2002)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50108777
PNG
(6,7-Dihydro-1H,5H-pyrrolo[2,3-c]azepine-4,8-dione ...)
Show SMILES O=C1CCNC(=O)c2[nH]ccc12
Show InChI InChI=1S/C8H8N2O2/c11-6-2-4-10-8(12)7-5(6)1-3-9-7/h1,3,9H,2,4H2,(H,10,12)
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n/an/a>2.50E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1


J Med Chem 45: 529-32 (2002)

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


(Homo sapiens (Human))
BDBM59117
PNG
(CHEMBL151430 | Hymenialdisine, 11b)
Show SMILES Nc1ncc([nH]1)C1CCNC(=O)c2[nH]c(Br)c(Br)c12
Show InChI InChI=1S/C11H11Br2N5O/c12-7-6-4(5-3-16-11(14)17-5)1-2-15-10(19)8(6)18-9(7)13/h3-4,18H,1-2H2,(H,15,19)(H3,14,16,17)
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of MEK1 phosphorylation by activated human recombinant Raf


J Med Chem 45: 529-32 (2002)

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


(Homo sapiens (Human))
BDBM50108774
PNG
(2-Bromo-6,7-dihydro-1H,5H-pyrrolo[2,3-c]azepine-4,...)
Show SMILES Brc1cc2c([nH]1)C(=O)NCCC2=O
Show InChI InChI=1S/C8H7BrN2O2/c9-6-3-4-5(12)1-2-10-8(13)7(4)11-6/h3,11H,1-2H2,(H,10,13)
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of MEK1 phosphorylation by activated human recombinant Raf


J Med Chem 45: 529-32 (2002)

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


(Homo sapiens (Human))
BDBM50108776
PNG
(4-(2-Amino-5-oxo-3,5-dihydro-imidazol-4-ylidene)-2...)
Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]c(Br)cc12 |w:3.3,t:1|
Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of MEK1 phosphorylation by activated human recombinant Raf


J Med Chem 45: 529-32 (2002)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50220547
PNG
(4,5-Dibromo-1H-pyrrole-2-carboxylic acid [3-(2-ami...)
Show SMILES Nc1ncc(C=CCNC(=O)c2cc(Br)c(Br)[nH]2)[nH]1 |w:6.6|
Show InChI InChI=1S/C11H11Br2N5O/c12-7-4-8(18-9(7)13)10(19)15-3-1-2-6-5-16-11(14)17-6/h1-2,4-5,18H,3H2,(H,15,19)(H3,14,16,17)
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n/an/a>2.50E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1


J Med Chem 45: 529-32 (2002)

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


(Homo sapiens (Human))
BDBM50220547
PNG
(4,5-Dibromo-1H-pyrrole-2-carboxylic acid [3-(2-ami...)
Show SMILES Nc1ncc(C=CCNC(=O)c2cc(Br)c(Br)[nH]2)[nH]1 |w:6.6|
Show InChI InChI=1S/C11H11Br2N5O/c12-7-4-8(18-9(7)13)10(19)15-3-1-2-6-5-16-11(14)17-6/h1-2,4-5,18H,3H2,(H,15,19)(H3,14,16,17)
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of MEK1 phosphorylation by activated human recombinant Raf


J Med Chem 45: 529-32 (2002)

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


(Homo sapiens (Human))
BDBM50108777
PNG
(6,7-Dihydro-1H,5H-pyrrolo[2,3-c]azepine-4,8-dione ...)
Show SMILES O=C1CCNC(=O)c2[nH]ccc12
Show InChI InChI=1S/C8H8N2O2/c11-6-2-4-10-8(12)7-5(6)1-3-9-7/h1,3,9H,2,4H2,(H,10,12)
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of MEK1 phosphorylation by activated human recombinant Raf


J Med Chem 45: 529-32 (2002)

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


(Homo sapiens (Human))
BDBM50108773
PNG
(4,5-Dibromo-1H-pyrrole-2-carboxylic acid amide | 4...)
Show SMILES NC(=O)c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C5H4Br2N2O/c6-2-1-3(5(8)10)9-4(2)7/h1,9H,(H2,8,10)
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of MEK1 phosphorylation by activated human recombinant Raf


J Med Chem 45: 529-32 (2002)

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


(Homo sapiens (Human))
BDBM50363645
PNG
(DEBROMOHYMENIALDISINE)
Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.8,t:1|
Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of MEK1 phosphorylation by activated human recombinant Raf


J Med Chem 45: 529-32 (2002)

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


(Homo sapiens (Human))
BDBM7491
PNG
((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...)
Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)cc12 |w:7.19,t:1|
Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of MEK1 phosphorylation by activated human recombinant Raf


J Med Chem 45: 529-32 (2002)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50108771
PNG
(2'-amino-3'-methoxyflavone | 2-(2-Amino-3-methoxy-...)
Show SMILES COc1cccc(c1N)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1


J Med Chem 45: 529-32 (2002)

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


(Homo sapiens (Human))
BDBM50108771
PNG
(2'-amino-3'-methoxyflavone | 2-(2-Amino-3-methoxy-...)
Show SMILES COc1cccc(c1N)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of MEK1 phosphorylation by activated human recombinant Raf


J Med Chem 45: 529-32 (2002)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%