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23 similar compounds to monomer 15239

Compile data set for download or QSAR
Wt: 309.3
BDBM15238		Wt: 382.4
BDBM50072402		Wt: 367.4
BDBM50072405		Wt: 394.4
BDBM50105741		Wt: 428.5
BDBM50105743
Wt: 396.4
BDBM50105744		Wt: 429.4
BDBM50105745		Wt: 428.5
BDBM50105746		Wt: 339.3
BDBM50105747		Wt: 414.4
BDBM50105748
Wt: 380.4
BDBM50105749		Wt: 352.4
BDBM50105750		Wt: 366.4
BDBM50105752		Wt: 410.4
BDBM50105753		Wt: 442.5
BDBM50105754
Displayed 1 to 15 (of 23 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 15238,50072402,50072405,50105741,50105743,50105744,50105745,50105746,50105747,50105748,50105749,50105750,50105752,50105753,50105754   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
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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n/an/a 25n/an/an/an/a7.537



University of Texas 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
BindingDB Entry DOI: 10.7270/Q2XP7351
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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n/an/a 25n/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Inhibition of human MAPK p38alpha

Bioorg Med Chem 18: 2204-18 (2010)


Article DOI: 10.1016/j.bmc.2010.01.070
BindingDB Entry DOI: 10.7270/Q27945MJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50072405
PNG
(4-{3-[4-(4-Fluoro-phenyl)-5-pyrimidin-4-yl-imidazo...)
Show SMILES Fc1ccc(cc1)-c1ncn(CCCN2CCOCC2)c1-c1ccncn1
Show InChI InChI=1S/C20H22FN5O/c21-17-4-2-16(3-5-17)19-20(18-6-7-22-14-23-18)26(15-24-19)9-1-8-25-10-12-27-13-11-25/h2-7,14-15H,1,8-13H2
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n/an/a 220n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha

Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50072402
PNG
(4-[5-(4-Fluoro-phenyl)-3-(3-morpholin-4-yl-propyl)...)
Show SMILES Nc1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H23FN6O/c21-16-4-2-15(3-5-16)18-19(17-6-7-23-20(22)25-17)27(14-24-18)9-1-8-26-10-12-28-13-11-26/h2-7,14H,1,8-13H2,(H2,22,23,25)
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n/an/a 480n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory concentration against mitogen-activated protein kinase p38 alpha

Bioorg Med Chem Lett 11: 1123-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00163-9
BindingDB Entry DOI: 10.7270/Q2028QTS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50105741
PNG
(4-[5-(4-Fluoro-phenyl)-3-(2,2,6,6-tetramethyl-pipe...)
Show SMILES CC1(C)CC(CC(C)(C)N1)n1cnc(c1-c1ccnc(N)n1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H27FN6/c1-21(2)11-16(12-22(3,4)28-21)29-13-26-18(14-5-7-15(23)8-6-14)19(29)17-9-10-25-20(24)27-17/h5-10,13,16,28H,11-12H2,1-4H3,(H2,24,25,27)
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n/an/a 58n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha

Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50105743
PNG
(4-[3-(1-Benzyl-piperidin-4-yl)-5-(4-fluoro-phenyl)...)
Show SMILES Nc1nccc(n1)-c1c(ncn1C1CCN(Cc2ccccc2)CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H25FN6/c26-20-8-6-19(7-9-20)23-24(22-10-13-28-25(27)30-22)32(17-29-23)21-11-14-31(15-12-21)16-18-4-2-1-3-5-18/h1-10,13,17,21H,11-12,14-16H2,(H2,27,28,30)
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n/an/a 8.5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha

Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50105744
PNG
(2-{4-[5-(4-Fluoro-phenyl)-3-(1-methyl-piperidin-4-...)
Show SMILES CN1CCC(CC1)n1cnc(c1-c1ccnc(NCCO)n1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H25FN6O/c1-27-11-7-17(8-12-27)28-14-25-19(15-2-4-16(22)5-3-15)20(28)18-6-9-23-21(26-18)24-10-13-29/h2-6,9,14,17,29H,7-8,10-13H2,1H3,(H,23,24,26)
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n/an/a 53n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha

Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50105745
PNG
(CHEMBL329469 | {4-[5-(4-Fluoro-phenyl)-3-(1-methyl...)
Show SMILES CN1CCC(CC1)n1cnc(c1-c1ccnc(Nc2ccncc2)n1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H24FN7/c1-31-14-9-20(10-15-31)32-16-28-22(17-2-4-18(25)5-3-17)23(32)21-8-13-27-24(30-21)29-19-6-11-26-12-7-19/h2-8,11-13,16,20H,9-10,14-15H2,1H3,(H,26,27,29,30)
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n/an/a 610n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha

Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50105747
PNG
(4-[5-(4-Fluoro-phenyl)-3-(tetrahydro-pyran-4-yl)-3...)
Show SMILES Nc1nccc(n1)-c1c(ncn1C1CCOCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H18FN5O/c19-13-3-1-12(2-4-13)16-17(15-5-8-21-18(20)23-15)24(11-22-16)14-6-9-25-10-7-14/h1-5,8,11,14H,6-7,9-10H2,(H2,20,21,23)
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n/an/a 230n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha

Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50105748
PNG
(4-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C24H23FN6/c25-18-8-6-17(7-9-18)22-23(31(16-28-22)20-10-13-26-14-11-20)21-12-15-27-24(30-21)29-19-4-2-1-3-5-19/h1-9,12,15-16,20,26H,10-11,13-14H2,(H,27,29,30)
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n/an/a 1.40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha

Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50105746
PNG
(CHEMBL318892 | {4-[5-(4-Fluoro-phenyl)-3-(1-methyl...)
Show SMILES CN1CCC(CC1)n1cnc(c1-c1ccnc(Nc2ccccc2)n1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H25FN6/c1-31-15-12-21(13-16-31)32-17-28-23(18-7-9-19(26)10-8-18)24(32)22-11-14-27-25(30-22)29-20-5-3-2-4-6-20/h2-11,14,17,21H,12-13,15-16H2,1H3,(H,27,29,30)
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n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha

Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50105750
PNG
(4-[5-(4-Fluoro-phenyl)-3-(1-methyl-piperidin-4-yl)...)
Show SMILES CN1CCC(CC1)n1cnc(c1-c1ccnc(N)n1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H21FN6/c1-25-10-7-15(8-11-25)26-12-23-17(13-2-4-14(20)5-3-13)18(26)16-6-9-22-19(21)24-16/h2-6,9,12,15H,7-8,10-11H2,1H3,(H2,21,22,24)
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n/an/a 86n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha

Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50105749
PNG
(4-[5-(4-Fluoro-phenyl)-3-(1-isopropyl-piperidin-4-...)
Show SMILES CC(C)N1CCC(CC1)n1cnc(c1-c1ccnc(N)n1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H25FN6/c1-14(2)27-11-8-17(9-12-27)28-13-25-19(15-3-5-16(22)6-4-15)20(28)18-7-10-24-21(23)26-18/h3-7,10,13-14,17H,8-9,11-12H2,1-2H3,(H2,23,24,26)
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n/an/a 170n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha

Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50105752
PNG
(CHEMBL329447 | {4-[5-(4-Fluoro-phenyl)-3-(1-methyl...)
Show SMILES CNc1nccc(n1)-c1c(ncn1C1CCN(C)CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H23FN6/c1-22-20-23-10-7-17(25-20)19-18(14-3-5-15(21)6-4-14)24-13-27(19)16-8-11-26(2)12-9-16/h3-7,10,13,16H,8-9,11-12H2,1-2H3,(H,22,23,25)
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha

Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50105753
PNG
(4-[5-(2-Amino-pyrimidin-4-yl)-4-(4-fluoro-phenyl)-...)
Show SMILES CCOC(=O)N1CCC(CC1)n1cnc(c1-c1ccnc(N)n1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H23FN6O2/c1-2-30-21(29)27-11-8-16(9-12-27)28-13-25-18(14-3-5-15(22)6-4-14)19(28)17-7-10-24-20(23)26-17/h3-7,10,13,16H,2,8-9,11-12H2,1H3,(H2,23,24,26)
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n/an/a 33n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha

Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50105754
PNG
(Benzyl-{4-[5-(4-fluoro-phenyl)-3-(1-methyl-piperid...)
Show SMILES CN1CCC(CC1)n1cnc(c1-c1ccnc(NCc2ccccc2)n1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H27FN6/c1-32-15-12-22(13-16-32)33-18-30-24(20-7-9-21(27)10-8-20)25(33)23-11-14-28-26(31-23)29-17-19-5-3-2-4-6-19/h2-11,14,18,22H,12-13,15-17H2,1H3,(H,28,29,31)
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n/an/a 45n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha

Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50072402
PNG
(4-[5-(4-Fluoro-phenyl)-3-(3-morpholin-4-yl-propyl)...)
Show SMILES Nc1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H23FN6O/c21-16-4-2-15(3-5-16)18-19(17-6-7-23-20(22)25-17)27(14-24-18)9-1-8-26-10-12-28-13-11-26/h2-7,14H,1,8-13H2,(H2,22,23,25)
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n/an/a 480n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition against Mitogen-activated protein kinase p38 alpha

Bioorg Med Chem Lett 11: 2867-70 (2001)


Article DOI: 10.1016/s0960-894x(01)00570-4
BindingDB Entry DOI: 10.7270/Q28G8K1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50105748
PNG
(4-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C24H23FN6/c25-18-8-6-17(7-9-18)22-23(31(16-28-22)20-10-13-26-14-11-20)21-12-15-27-24(30-21)29-19-4-2-1-3-5-19/h1-9,12,15-16,20,26H,10-11,13-14H2,(H,27,29,30)
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n/an/a 1.40n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of p38alpha expressed in Escherichia coli or baculovirus-infected insect cells by TR-FRET assay

J Med Chem 54: 5131-43 (2011)


Article DOI: 10.1021/jm200349b
BindingDB Entry DOI: 10.7270/Q2F47PHP
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human))		BDBM50072402
PNG
(4-[5-(4-Fluoro-phenyl)-3-(3-morpholin-4-yl-propyl)...)
Show SMILES Nc1nccc(n1)-c1c(ncn1CCCN1CCOCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H23FN6O/c21-16-4-2-15(3-5-16)18-19(17-6-7-23-20(22)25-17)27(14-24-18)9-1-8-26-10-12-28-13-11-26/h2-7,14H,1,8-13H2,(H2,22,23,25)
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n/an/a 480n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of p38 MAP kinase

Bioorg Med Chem Lett 8: 3111-6 (1998)


Article DOI: 10.1016/s0960-894x(98)00549-6
BindingDB Entry DOI: 10.7270/Q2FB554V
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human))		BDBM50072405
PNG
(4-{3-[4-(4-Fluoro-phenyl)-5-pyrimidin-4-yl-imidazo...)
Show SMILES Fc1ccc(cc1)-c1ncn(CCCN2CCOCC2)c1-c1ccncn1
Show InChI InChI=1S/C20H22FN5O/c21-17-4-2-16(3-5-17)19-20(18-6-7-22-14-23-18)26(15-24-19)9-1-8-25-10-12-27-13-11-25/h2-7,14-15H,1,8-13H2
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n/an/a 220n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of p38 MAP kinase

Bioorg Med Chem Lett 8: 3111-6 (1998)


Article DOI: 10.1016/s0960-894x(98)00549-6
BindingDB Entry DOI: 10.7270/Q2FB554V
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(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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n/an/a>1.00E+5n/an/an/an/a7.537



University of Texas 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
BindingDB Entry DOI: 10.7270/Q2XP7351
More data for this
Ligand-Target Pair		3D
3D Structure (docked)