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PubMed code 9753691

Compile data set for download or QSAR
Found 10 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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM15239
PNG
(4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...)
Show SMILES Nc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN6/c19-13-3-1-12(2-4-13)16-17(15-7-10-22-18(20)24-15)25(11-23-16)14-5-8-21-9-6-14/h1-4,7,10-11,14,21H,5-6,8-9H2,(H2,20,22,24)
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Article
PubMed
n/an/a 19n/an/an/an/a7.537



University of Texas Southwestern Medical Center at Dallas



Assay Description
Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 0.17 mM ATP/[gamma-32P] ATP. 32P incorp...


Structure 6: 1117-28 (1998)


Article DOI: 10.1016/s0969-2126(98)00113-0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM15238
PNG
(4-[1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imi...)
Show SMILES Nc1nccc(n1)-c1c(ncn1CC1CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H16FN5/c18-13-5-3-12(4-6-13)15-16(14-7-8-20-17(19)22-14)23(10-21-15)9-11-1-2-11/h3-8,10-11H,1-2,9H2,(H2,19,20,22)
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Article
PubMed
n/an/a 25n/an/an/an/a7.537



University of Texas Southwestern Medical Center at Dallas



Assay Description
Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 0.17 mM ATP/[gamma-32P] ATP. 32P incorp...


Structure 6: 1117-28 (1998)


Article DOI: 10.1016/s0969-2126(98)00113-0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM13336
PNG
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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PubMed
n/an/a 48n/an/an/an/a7.537



University of Texas Southwestern Medical Center at Dallas



Assay Description
Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 0.17 mM ATP/[gamma-32P] ATP. 32P incorp...


Structure 6: 1117-28 (1998)


Article DOI: 10.1016/s0969-2126(98)00113-0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM15237
PNG
(4-[1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imi...)
Show SMILES Fc1ccc(cc1)-c1ncn(CC2CC2)c1-c1ccncc1
Show InChI InChI=1S/C18H16FN3/c19-16-5-3-14(4-6-16)17-18(15-7-9-20-10-8-15)22(12-21-17)11-13-1-2-13/h3-10,12-13H,1-2,11H2
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Article
PubMed
n/an/a 160n/an/an/an/a7.537



University of Texas Southwestern Medical Center at Dallas



Assay Description
Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 0.17 mM ATP/[gamma-32P] ATP. 32P incorp...


Structure 6: 1117-28 (1998)


Article DOI: 10.1016/s0969-2126(98)00113-0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
ERK-2


(Rattus norvegicus (rat))
BDBM15239
PNG
(4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...)
Show SMILES Nc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN6/c19-13-3-1-12(2-4-13)16-17(15-7-10-22-18(20)24-15)25(11-23-16)14-5-8-21-9-6-14/h1-4,7,10-11,14,21H,5-6,8-9H2,(H2,20,22,24)
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PubMed
n/an/a 1.80E+4n/an/an/an/a7.537



University of Texas Southwestern Medical Center at Dallas



Assay Description
Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 0.17 mM ATP/[gamma-32P] ATP. 32P incorp...


Structure 6: 1117-28 (1998)


Article DOI: 10.1016/s0969-2126(98)00113-0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ERK-2


(Rattus norvegicus (rat))
BDBM5718
PNG
(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)
Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
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PubMed
n/an/a 2.70E+4n/an/an/an/a7.537



University of Texas Southwestern Medical Center at Dallas



Assay Description
Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 0.17 mM ATP/[gamma-32P] ATP. 32P incorp...


Structure 6: 1117-28 (1998)


Article DOI: 10.1016/s0969-2126(98)00113-0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ERK-2


(Rattus norvegicus (rat))
BDBM15237
PNG
(4-[1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imi...)
Show SMILES Fc1ccc(cc1)-c1ncn(CC2CC2)c1-c1ccncc1
Show InChI InChI=1S/C18H16FN3/c19-16-5-3-14(4-6-16)17-18(15-7-9-20-10-8-15)22(12-21-17)11-13-1-2-13/h3-10,12-13H,1-2,11H2
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PubMed
n/an/a>1.00E+5n/an/an/an/a7.537



University of Texas Southwestern Medical Center at Dallas



Assay Description
Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 0.17 mM ATP/[gamma-32P] ATP. 32P incorp...


Structure 6: 1117-28 (1998)


Article DOI: 10.1016/s0969-2126(98)00113-0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM5718
PNG
(2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...)
Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12
Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
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PubMed
n/an/a>1.00E+5n/an/an/an/a7.537



University of Texas Southwestern Medical Center at Dallas



Assay Description
Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 0.17 mM ATP/[gamma-32P] ATP. 32P incorp...


Structure 6: 1117-28 (1998)


Article DOI: 10.1016/s0969-2126(98)00113-0
More data for this
Ligand-Target Pair
ERK-2


(Rattus norvegicus (rat))
BDBM15238
PNG
(4-[1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imi...)
Show SMILES Nc1nccc(n1)-c1c(ncn1CC1CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H16FN5/c18-13-5-3-12(4-6-13)15-16(14-7-8-20-17(19)22-14)23(10-21-15)9-11-1-2-11/h3-8,10-11H,1-2,9H2,(H2,19,20,22)
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PubMed
n/an/a>1.00E+5n/an/an/an/a7.537



University of Texas Southwestern Medical Center at Dallas



Assay Description
Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 0.17 mM ATP/[gamma-32P] ATP. 32P incorp...


Structure 6: 1117-28 (1998)


Article DOI: 10.1016/s0969-2126(98)00113-0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
ERK-2


(Rattus norvegicus (rat))
BDBM13336
PNG
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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Article
PubMed
n/an/a>1.00E+6n/an/an/an/a7.537



University of Texas Southwestern Medical Center at Dallas



Assay Description
Kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 0.17 mM ATP/[gamma-32P] ATP. 32P incorp...


Structure 6: 1117-28 (1998)


Article DOI: 10.1016/s0969-2126(98)00113-0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%