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PubMed code 15566298

Compile data set for download or QSAR
Found 34 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))
BDBM50156754
PNG
((S)-N-methoxy-4-methyl-3-(4-(methyl(neopentyl)amin...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(N[C@H]3CCNC3)nc(n2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C22H34N8O2/c1-14-7-8-15(18(31)29-32-6)11-17(14)25-20-26-19(24-16-9-10-23-12-16)27-21(28-20)30(5)13-22(2,3)4/h7-8,11,16,23H,9-10,12-13H2,1-6H3,(H,29,31)(H2,24,25,26,27,28)/t16-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha expressed in Escherichia coli


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50156743
PNG
((S)-N-hydroxy-4-methyl-3-(4-(methyl(neopentyl)amin...)
Show SMILES CN(CC(C)(C)C)c1nc(N[C@H]2CCNC2)nc(Nc2cc(ccc2C)C(=O)NO)n1
Show InChI InChI=1S/C21H32N8O2/c1-13-6-7-14(17(30)28-31)10-16(13)24-19-25-18(23-15-8-9-22-11-15)26-20(27-19)29(5)12-21(2,3)4/h6-7,10,15,22,31H,8-9,11-12H2,1-5H3,(H,28,30)(H2,23,24,25,26,27)/t15-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha expressed in Escherichia coli


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50156750
PNG
(CHEMBL376506 | DEL-A, 5 | N-methoxy-4-methyl-3-(4-...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCNCC2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C22H34N8O2/c1-15-7-8-16(18(31)28-32-6)13-17(15)24-19-25-20(29(5)14-22(2,3)4)27-21(26-19)30-11-9-23-10-12-30/h7-8,13,23H,9-12,14H2,1-6H3,(H,28,31)(H,24,25,26,27)
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n/an/a 18n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha expressed in Escherichia coli


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens)
BDBM16316
PNG
(3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-met...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C24H38N8O2/c1-17-9-10-18(20(33)29-34-7)15-19(17)25-21-26-22(31(6)16-24(2,3)4)28-23(27-21)32-12-8-11-30(5)13-14-32/h9-10,15H,8,11-14,16H2,1-7H3,(H,29,33)(H,25,26,27,28)
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n/an/a 22n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human p38beta


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50156757
PNG
((S)-4-methyl-3-(4-(methyl(neopentyl)amino)-6-(pyrr...)
Show SMILES CN(CC(C)(C)C)c1nc(N[C@H]2CCNC2)nc(Nc2cc(ccc2C)C(N)=O)n1
Show InChI InChI=1S/C21H32N8O/c1-13-6-7-14(17(22)30)10-16(13)25-19-26-18(24-15-8-9-23-11-15)27-20(28-19)29(5)12-21(2,3)4/h6-7,10,15,23H,8-9,11-12H2,1-5H3,(H2,22,30)(H2,24,25,26,27,28)/t15-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha expressed in Escherichia coli


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50156741
PNG
((S)-3-(4-(isobutyl(methyl)amino)-6-(pyrrolidin-3-y...)
Show SMILES CC(C)CN(C)c1nc(N[C@H]2CCNC2)nc(Nc2cc(ccc2C)C(N)=O)n1
Show InChI InChI=1S/C20H30N8O/c1-12(2)11-28(4)20-26-18(23-15-7-8-22-10-15)25-19(27-20)24-16-9-14(17(21)29)6-5-13(16)3/h5-6,9,12,15,22H,7-8,10-11H2,1-4H3,(H2,21,29)(H2,23,24,25,26,27)/t15-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha expressed in Escherichia coli


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50156755
PNG
((S)-N-ethyl-4-methyl-3-(4-(methyl(neopentyl)amino)...)
Show SMILES CCNC(=O)c1ccc(C)c(Nc2nc(N[C@H]3CCNC3)nc(n2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C23H36N8O/c1-7-25-19(32)16-9-8-15(2)18(12-16)27-21-28-20(26-17-10-11-24-13-17)29-22(30-21)31(6)14-23(3,4)5/h8-9,12,17,24H,7,10-11,13-14H2,1-6H3,(H,25,32)(H2,26,27,28,29,30)/t17-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha expressed in Escherichia coli


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM16316
PNG
(3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-met...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C24H38N8O2/c1-17-9-10-18(20(33)29-34-7)15-19(17)25-21-26-22(31(6)16-24(2,3)4)28-23(27-21)32-12-8-11-30(5)13-14-32/h9-10,15H,8,11-14,16H2,1-7H3,(H,29,33)(H,25,26,27,28)
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n/an/a 44n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha expressed in Escherichia coli


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50156737
PNG
((S)-N-isopropyl-4-methyl-3-(4-(methyl(neopentyl)-a...)
Show SMILES CC(C)NC(=O)c1ccc(C)c(Nc2nc(N[C@H]3CCNC3)nc(n2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C24H38N8O/c1-15(2)26-20(33)17-9-8-16(3)19(12-17)28-22-29-21(27-18-10-11-25-13-18)30-23(31-22)32(7)14-24(4,5)6/h8-9,12,15,18,25H,10-11,13-14H2,1-7H3,(H,26,33)(H2,27,28,29,30,31)/t18-/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha expressed in Escherichia coli


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50156738
PNG
(3-(4-(1,4-diazepan-1-yl)-6-(methyl(neopentyl)amino...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCNCC2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C23H36N8O2/c1-16-8-9-17(19(32)29-33-6)14-18(16)25-20-26-21(30(5)15-23(2,3)4)28-22(27-20)31-12-7-10-24-11-13-31/h8-9,14,24H,7,10-13,15H2,1-6H3,(H,29,32)(H,25,26,27,28)
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n/an/a 52n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha expressed in Escherichia coli


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50156752
PNG
(3-(4-(((1S,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan...)
Show SMILES Cc1ccc(cc1Nc1nc(NC[C@@H]2CC[C@H]3C[C@@H]2C3(C)C)nc(N[C@H]2CCNC2)n1)C(N)=O
Show InChI InChI=1S/C25H36N8O/c1-14-4-5-15(21(26)34)10-20(14)30-24-32-22(31-23(33-24)29-18-8-9-27-13-18)28-12-16-6-7-17-11-19(16)25(17,2)3/h4-5,10,16-19,27H,6-9,11-13H2,1-3H3,(H2,26,34)(H3,28,29,30,31,32,33)/t16-,17-,18-,19-/m0/s1
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n/an/a 53n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha expressed in Escherichia coli


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50156742
PNG
(CHEMBL222098 | N-methoxy-4-methyl-3-(4-(methyl(neo...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCN(C)CC2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C23H36N8O2/c1-16-8-9-17(19(32)28-33-7)14-18(16)24-20-25-21(30(6)15-23(2,3)4)27-22(26-20)31-12-10-29(5)11-13-31/h8-9,14H,10-13,15H2,1-7H3,(H,28,32)(H,24,25,26,27)
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n/an/a 57n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha expressed in Escherichia coli


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50156756
PNG
((S)-N-benzyl-4-methyl-3-(4-(methyl(neopentyl)amino...)
Show SMILES CN(CC(C)(C)C)c1nc(N[C@H]2CCNC2)nc(Nc2cc(ccc2C)C(=O)NCc2ccccc2)n1
Show InChI InChI=1S/C28H38N8O/c1-19-11-12-21(24(37)30-16-20-9-7-6-8-10-20)15-23(19)32-26-33-25(31-22-13-14-29-17-22)34-27(35-26)36(5)18-28(2,3)4/h6-12,15,22,29H,13-14,16-18H2,1-5H3,(H,30,37)(H2,31,32,33,34,35)/t22-/m0/s1
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n/an/a 64n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha expressed in Escherichia coli


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50156747
PNG
((S)-3-(4-(isobutylamino)-6-(pyrrolidin-3-ylamino)-...)
Show SMILES CC(C)CNc1nc(N[C@H]2CCNC2)nc(Nc2cc(ccc2C)C(N)=O)n1
Show InChI InChI=1S/C19H28N8O/c1-11(2)9-22-17-25-18(23-14-6-7-21-10-14)27-19(26-17)24-15-8-13(16(20)28)5-4-12(15)3/h4-5,8,11,14,21H,6-7,9-10H2,1-3H3,(H2,20,28)(H3,22,23,24,25,26,27)/t14-/m0/s1
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n/an/a 73n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha expressed in Escherichia coli


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50156739
PNG
(4-methyl-3-(4-(methyl(2-phenylpropyl)amino)-6-((S)...)
Show SMILES CC(CN(C)c1nc(N[C@H]2CCNC2)nc(Nc2cc(ccc2C)C(N)=O)n1)c1ccccc1
Show InChI InChI=1S/C25H32N8O/c1-16-9-10-19(22(26)34)13-21(16)29-24-30-23(28-20-11-12-27-14-20)31-25(32-24)33(3)15-17(2)18-7-5-4-6-8-18/h4-10,13,17,20,27H,11-12,14-15H2,1-3H3,(H2,26,34)(H2,28,29,30,31,32)/t17?,20-/m0/s1
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n/an/a 84n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha expressed in Escherichia coli


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50156746
PNG
((S)-N-cyclopentyl-4-methyl-3-(4-(methyl(neopentyl)...)
Show SMILES CN(CC(C)(C)C)c1nc(N[C@H]2CCNC2)nc(Nc2cc(ccc2C)C(=O)NC2CCCC2)n1
Show InChI InChI=1S/C26H40N8O/c1-17-10-11-18(22(35)28-19-8-6-7-9-19)14-21(17)30-24-31-23(29-20-12-13-27-15-20)32-25(33-24)34(5)16-26(2,3)4/h10-11,14,19-20,27H,6-9,12-13,15-16H2,1-5H3,(H,28,35)(H2,29,30,31,32,33)/t20-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha expressed in Escherichia coli


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50156749
PNG
((S)-3-(4-(4-fluorophenethylamino)-6-(pyrrolidin-3-...)
Show SMILES Cc1ccc(cc1Nc1nc(NCCc2ccc(F)cc2)nc(N[C@H]2CCNC2)n1)C(N)=O
Show InChI InChI=1S/C23H27FN8O/c1-14-2-5-16(20(25)33)12-19(14)29-23-31-21(27-11-8-15-3-6-17(24)7-4-15)30-22(32-23)28-18-9-10-26-13-18/h2-7,12,18,26H,8-11,13H2,1H3,(H2,25,33)(H3,27,28,29,30,31,32)/t18-/m0/s1
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n/an/a 227n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha expressed in Escherichia coli


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50156744
PNG
((S)-3-(4-(cyclohexyl(methyl)amino)-6-(pyrrolidin-3...)
Show SMILES CN(CC1CCCCC1)c1nc(N[C@H]2CCNC2)nc(Nc2cc(ccc2C)C(N)=O)n1
Show InChI InChI=1S/C23H34N8O/c1-15-8-9-17(20(24)32)12-19(15)27-22-28-21(26-18-10-11-25-13-18)29-23(30-22)31(2)14-16-6-4-3-5-7-16/h8-9,12,16,18,25H,3-7,10-11,13-14H2,1-2H3,(H2,24,32)(H2,26,27,28,29,30)/t18-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha expressed in Escherichia coli


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50156748
PNG
((S)-N-(2-methoxyethyl)-4-methyl-3-(4-(methyl(neope...)
Show SMILES COCCNC(=O)c1ccc(C)c(Nc2nc(N[C@H]3CCNC3)nc(n2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C24H38N8O2/c1-16-7-8-17(20(33)26-11-12-34-6)13-19(16)28-22-29-21(27-18-9-10-25-14-18)30-23(31-22)32(5)15-24(2,3)4/h7-8,13,18,25H,9-12,14-15H2,1-6H3,(H,26,33)(H2,27,28,29,30,31)/t18-/m0/s1
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n/an/a 264n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha expressed in Escherichia coli


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50156745
PNG
((S)-methyl-4-methyl-3-(4-(methyl(neopentyl)amino)-...)
Show SMILES COC(=O)c1ccc(C)c(Nc2nc(N[C@H]3CCNC3)nc(n2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C22H33N7O2/c1-14-7-8-15(18(30)31-6)11-17(14)25-20-26-19(24-16-9-10-23-12-16)27-21(28-20)29(5)13-22(2,3)4/h7-8,11,16,23H,9-10,12-13H2,1-6H3,(H2,24,25,26,27,28)/t16-/m0/s1
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n/an/a 346n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha expressed in Escherichia coli


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50156753
PNG
(4-methyl-3-(4-(methyl(neopentyl)amino)-6-(4-methyl...)
Show SMILES CN(CC(C)(C)C)c1nc(Nc2cc(ccc2C)C(O)=O)nc(n1)N1CCCN(C)CC1
Show InChI InChI=1S/C23H35N7O2/c1-16-8-9-17(19(31)32)14-18(16)24-20-25-21(29(6)15-23(2,3)4)27-22(26-20)30-11-7-10-28(5)12-13-30/h8-9,14H,7,10-13,15H2,1-6H3,(H,31,32)(H,24,25,26,27)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha expressed in Escherichia coli


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50156736
PNG
(3-(4-(1,4-diazepan-1-yl)-6-(((1S,2R,5S)-6,6-dimeth...)
Show SMILES Cc1ccc(cc1Nc1nc(NC[C@@H]2CC[C@H]3C[C@@H]2C3(C)C)nc(n1)N1CCCNCC1)C(N)=O
Show InChI InChI=1S/C26H38N8O/c1-16-5-6-17(22(27)35)13-21(16)30-24-31-23(32-25(33-24)34-11-4-9-28-10-12-34)29-15-18-7-8-19-14-20(18)26(19,2)3/h5-6,13,18-20,28H,4,7-12,14-15H2,1-3H3,(H2,27,35)(H2,29,30,31,32,33)/t18-,19-,20-/m0/s1
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n/an/a 1.36E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha expressed in Escherichia coli


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50156751
PNG
(3-(4-(((1S,2R,5S)-6,6-dimethylbicyclo[3.1.1]heptan...)
Show SMILES CN1CCCN(CC1)c1nc(NC[C@@H]2CC[C@H]3C[C@@H]2C3(C)C)nc(Nc2cc(ccc2C)C(N)=O)n1
Show InChI InChI=1S/C27H40N8O/c1-17-6-7-18(23(28)36)14-22(17)30-25-31-24(29-16-19-8-9-20-15-21(19)27(20,2)3)32-26(33-25)35-11-5-10-34(4)12-13-35/h6-7,14,19-21H,5,8-13,15-16H2,1-4H3,(H2,28,36)(H2,29,30,31,32,33)/t19-,20-,21-/m0/s1
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n/an/a 1.42E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha expressed in Escherichia coli


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50156740
PNG
(3-(4-amino-6-(((1S,2R,5S)-6,6-dimethylbicyclo[3.1....)
Show SMILES Cc1ccc(cc1Nc1nc(N)nc(NC[C@@H]2CC[C@H]3C[C@@H]2C3(C)C)n1)C(N)=O
Show InChI InChI=1S/C21H29N7O/c1-11-4-5-12(17(22)29)8-16(11)25-20-27-18(23)26-19(28-20)24-10-13-6-7-14-9-15(13)21(14,2)3/h4-5,8,13-15H,6-7,9-10H2,1-3H3,(H2,22,29)(H4,23,24,25,26,27,28)/t13-,14-,15-/m0/s1
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n/an/a 5.90E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human p38-alpha expressed in Escherichia coli


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM16316
PNG
(3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-met...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C24H38N8O2/c1-17-9-10-18(20(33)29-34-7)15-19(17)25-21-26-22(31(6)16-24(2,3)4)28-23(27-21)32-12-8-11-30(5)13-14-32/h9-10,15H,8,11-14,16H2,1-7H3,(H,29,33)(H,25,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of JAK3


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (human))
BDBM16316
PNG
(3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-met...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C24H38N8O2/c1-17-9-10-18(20(33)29-34-7)15-19(17)25-21-26-22(31(6)16-24(2,3)4)28-23(27-21)32-12-8-11-30(5)13-14-32/h9-10,15H,8,11-14,16H2,1-7H3,(H,29,33)(H,25,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PKCdelta


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens-Homo sapiens (human))
BDBM16316
PNG
(3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-met...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C24H38N8O2/c1-17-9-10-18(20(33)29-34-7)15-19(17)25-21-26-22(31(6)16-24(2,3)4)28-23(27-21)32-12-8-11-30(5)13-14-32/h9-10,15H,8,11-14,16H2,1-7H3,(H,29,33)(H,25,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PKA


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM16316
PNG
(3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-met...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C24H38N8O2/c1-17-9-10-18(20(33)29-34-7)15-19(17)25-21-26-22(31(6)16-24(2,3)4)28-23(27-21)32-12-8-11-30(5)13-14-32/h9-10,15H,8,11-14,16H2,1-7H3,(H,29,33)(H,25,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PKCalpha


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM16316
PNG
(3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-met...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C24H38N8O2/c1-17-9-10-18(20(33)29-34-7)15-19(17)25-21-26-22(31(6)16-24(2,3)4)28-23(27-21)32-12-8-11-30(5)13-14-32/h9-10,15H,8,11-14,16H2,1-7H3,(H,29,33)(H,25,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of SYK


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM16316
PNG
(3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-met...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C24H38N8O2/c1-17-9-10-18(20(33)29-34-7)15-19(17)25-21-26-22(31(6)16-24(2,3)4)28-23(27-21)32-12-8-11-30(5)13-14-32/h9-10,15H,8,11-14,16H2,1-7H3,(H,29,33)(H,25,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of LCK


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM16316
PNG
(3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-met...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C24H38N8O2/c1-17-9-10-18(20(33)29-34-7)15-19(17)25-21-26-22(31(6)16-24(2,3)4)28-23(27-21)32-12-8-11-30(5)13-14-32/h9-10,15H,8,11-14,16H2,1-7H3,(H,29,33)(H,25,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM16316
PNG
(3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-met...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C24H38N8O2/c1-17-9-10-18(20(33)29-34-7)15-19(17)25-21-26-22(31(6)16-24(2,3)4)28-23(27-21)32-12-8-11-30(5)13-14-32/h9-10,15H,8,11-14,16H2,1-7H3,(H,29,33)(H,25,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human IKK2beta


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM16316
PNG
(3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-met...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C24H38N8O2/c1-17-9-10-18(20(33)29-34-7)15-19(17)25-21-26-22(31(6)16-24(2,3)4)28-23(27-21)32-12-8-11-30(5)13-14-32/h9-10,15H,8,11-14,16H2,1-7H3,(H,29,33)(H,25,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of MK2


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (human))
BDBM16316
PNG
(3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-met...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C24H38N8O2/c1-17-9-10-18(20(33)29-34-7)15-19(17)25-21-26-22(31(6)16-24(2,3)4)28-23(27-21)32-12-8-11-30(5)13-14-32/h9-10,15H,8,11-14,16H2,1-7H3,(H,29,33)(H,25,26,27,28)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of Zap70


J Med Chem 47: 6283-91 (2004)


Article DOI: 10.1021/jm049521d
BindingDB Entry DOI: 10.7270/Q2WS8SR1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%