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Compile Data Set for Download or QSAR

Found 64 hits Enz. Inhib. hit(s) with all data for entry = 50020613   
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
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215481
PNG
(5-methoxy-9,12-diazatetracyclo[10.2.1.0^{2,10}.0^{...)
Show SMILES COc1ccc2[nH]c3C(N4CCC(C4)c3c2c1)C(O)=O |w:12.12,8.20,TEB:17:8:13:11.10|
Show InChI InChI=1S/C15H16N2O3/c1-20-9-2-3-11-10(6-9)12-8-4-5-17(7-8)14(15(18)19)13(12)16-11/h2-3,6,8,14,16H,4-5,7H2,1H3,(H,18,19)
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PubMed
n/an/a 290n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215517
PNG
(6-methoxy-2-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,...)
Show SMILES COc1ccc2[nH]c3C(N(C)CCc3c2c1)C(O)=O |w:8.18|
Show InChI InChI=1S/C14H16N2O3/c1-16-6-5-9-10-7-8(19-2)3-4-11(10)15-12(9)13(16)14(17)18/h3-4,7,13,15H,5-6H2,1-2H3,(H,17,18)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215501
PNG
(6-(2-oxo-2-phenyl-ethoxy)-2,3,4,9-tetrahydro-1H-be...)
Show SMILES OC(=O)C1NCCc2c1[nH]c1ccc(OCC(=O)c3ccccc3)cc21
Show InChI InChI=1S/C20H18N2O4/c23-17(12-4-2-1-3-5-12)11-26-13-6-7-16-15(10-13)14-8-9-21-19(20(24)25)18(14)22-16/h1-7,10,19,21-22H,8-9,11H2,(H,24,25)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215502
PNG
(6-methoxy-4-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,...)
Show SMILES COc1ccc2[nH]c3C(NCC(C)c3c2c1)C(O)=O |w:8.18,11.11|
Show InChI InChI=1S/C14H16N2O3/c1-7-6-15-13(14(17)18)12-11(7)9-5-8(19-2)3-4-10(9)16-12/h3-5,7,13,15-16H,6H2,1-2H3,(H,17,18)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215503
PNG
(4-ethyl-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4...)
Show SMILES CCC1CNC(C(O)=O)c2[nH]c3ccc(OC)cc3c12 |w:5.5,2.1|
Show InChI InChI=1S/C15H18N2O3/c1-3-8-7-16-14(15(18)19)13-12(8)10-6-9(20-2)4-5-11(10)17-13/h4-6,8,14,16-17H,3,7H2,1-2H3,(H,18,19)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215483
PNG
(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol...)
Show SMILES COc1ccc2[nH]c3C(NCCc3c2c1)C(O)=O |w:8.17|
Show InChI InChI=1S/C13H14N2O3/c1-18-7-2-3-10-9(6-7)8-4-5-14-12(13(16)17)11(8)15-10/h2-3,6,12,14-15H,4-5H2,1H3,(H,16,17)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215510
PNG
(3-(hydroxymethyl)-6-methoxy-2,3,4,9-tetrahydro-1H-...)
Show SMILES COc1ccc2[nH]c3C(NC(CO)Cc3c2c1)C(O)=O |w:8.19,10.10|
Show InChI InChI=1S/C14H16N2O4/c1-20-8-2-3-11-9(5-8)10-4-7(6-17)15-13(14(18)19)12(10)16-11/h2-3,5,7,13,15-17H,4,6H2,1H3,(H,18,19)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215506
PNG
(CHEMBL245862 | prop-2-en-1-yl 5-methoxy-9,12-diaza...)
Show SMILES COc1ccc2[nH]c3C(N4CCC(C4)c3c2c1)C(=O)OCC=C |w:12.12,8.20,TEB:17:8:13:11.10|
Show InChI InChI=1S/C18H20N2O3/c1-3-8-23-18(21)17-16-15(11-6-7-20(17)10-11)13-9-12(22-2)4-5-14(13)19-16/h3-5,9,11,17,19H,1,6-8,10H2,2H3
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n/an/a 3.27E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215489
PNG
(6-hydroxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol...)
Show SMILES OC(=O)C1NCCc2c1[nH]c1ccc(O)cc21 |w:3.2|
Show InChI InChI=1S/C12H12N2O3/c15-6-1-2-9-8(5-6)7-3-4-13-11(12(16)17)10(7)14-9/h1-2,5,11,13-15H,3-4H2,(H,16,17)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215497
PNG
(5-methoxy-9,12-diazatetracyclo[10.3.1.0^{2,10}.0^{...)
Show SMILES COc1ccc2[nH]c3C(N4CCCC(C4)c3c2c1)C(O)=O |w:13.13,8.21,TEB:18:8:14:12.11.10|
Show InChI InChI=1S/C16H18N2O3/c1-21-10-4-5-12-11(7-10)13-9-3-2-6-18(8-9)15(16(19)20)14(13)17-12/h4-5,7,9,15,17H,2-3,6,8H2,1H3,(H,19,20)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215508
PNG
(2-ethyl-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4...)
Show SMILES CCN1CCc2c([nH]c3ccc(OC)cc23)C1C(O)=O |w:16.19|
Show InChI InChI=1S/C15H18N2O3/c1-3-17-7-6-10-11-8-9(20-2)4-5-12(11)16-13(10)14(17)15(18)19/h4-5,8,14,16H,3,6-7H2,1-2H3,(H,18,19)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215523
PNG
(3-(aminomethyl)-6-methoxy-2,3,4,9-tetrahydro-1H-py...)
Show SMILES COc1ccc2[nH]c3C(NC(CN)Cc3c2c1)C(O)=O |w:8.19,10.10|
Show InChI InChI=1S/C14H17N3O3/c1-20-8-2-3-11-9(5-8)10-4-7(6-15)16-13(14(18)19)12(10)17-11/h2-3,5,7,13,16-17H,4,6,15H2,1H3,(H,18,19)
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PubMed
n/an/a 5.90E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215520
PNG
(6-(methoxycarbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3...)
Show SMILES COC(=O)c1ccc2[nH]c3C(NCCc3c2c1)C(O)=O |w:10.19|
Show InChI InChI=1S/C14H14N2O4/c1-20-14(19)7-2-3-10-9(6-7)8-4-5-15-12(13(17)18)11(8)16-10/h2-3,6,12,15-16H,4-5H2,1H3,(H,17,18)
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PubMed
n/an/a 6.60E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215485
PNG
(CHEMBL245661 | benzyl 5-methoxy-9,12-diazatetracyc...)
Show SMILES COc1ccc2[nH]c3C(N4CCC(C4)c3c2c1)C(=O)OCc1ccccc1 |w:12.12,8.20,TEB:17:8:13:11.10|
Show InChI InChI=1S/C22H22N2O3/c1-26-16-7-8-18-17(11-16)19-15-9-10-24(12-15)21(20(19)23-18)22(25)27-13-14-5-3-2-4-6-14/h2-8,11,15,21,23H,9-10,12-13H2,1H3
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PubMed
n/an/a 7.09E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215482
PNG
(6-methoxy-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,...)
Show SMILES COc1ccc2[nH]c3C(NC(C)Cc3c2c1)C(O)=O |w:8.18,10.10|
Show InChI InChI=1S/C14H16N2O3/c1-7-5-10-9-6-8(19-2)3-4-11(9)16-12(10)13(15-7)14(17)18/h3-4,6-7,13,15-16H,5H2,1-2H3,(H,17,18)
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n/an/a 7.10E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215504
PNG
(CHEMBL245662 | propyl 5-methoxy-9,12-diazatetracyc...)
Show SMILES CCCOC(=O)C1N2CCC(C2)c2c1[nH]c1ccc(OC)cc21 |w:10.10,6.5,TEB:4:6:11:9.8|
Show InChI InChI=1S/C18H22N2O3/c1-3-8-23-18(21)17-16-15(11-6-7-20(17)10-11)13-9-12(22-2)4-5-14(13)19-16/h4-5,9,11,17,19H,3,6-8,10H2,1-2H3
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n/an/a 1.01E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215513
PNG
(6-(benzyloxy)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]i...)
Show SMILES OC(=O)C1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 |w:3.2|
Show InChI InChI=1S/C19H18N2O3/c22-19(23)18-17-14(8-9-20-18)15-10-13(6-7-16(15)21-17)24-11-12-4-2-1-3-5-12/h1-7,10,18,20-21H,8-9,11H2,(H,22,23)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215488
PNG
(1-phenylethyl 5-methoxy-9,12-diazatetracyclo[10.2....)
Show SMILES COc1ccc2[nH]c3C(N4CCC(C4)c3c2c1)C(=O)OC(C)c1ccccc1 |w:12.12,8.20,20.24,TEB:17:8:13:11.10|
Show InChI InChI=1S/C23H24N2O3/c1-14(15-6-4-3-5-7-15)28-23(26)22-21-20(16-10-11-25(22)13-16)18-12-17(27-2)8-9-19(18)24-21/h3-9,12,14,16,22,24H,10-11,13H2,1-2H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215524
PNG
(4-benzyl-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,...)
Show SMILES COc1ccc2[nH]c3C(NCC(Cc4ccccc4)c3c2c1)C(O)=O |w:8.25,11.11|
Show InChI InChI=1S/C20H20N2O3/c1-25-14-7-8-16-15(10-14)17-13(9-12-5-3-2-4-6-12)11-21-19(20(23)24)18(17)22-16/h2-8,10,13,19,21-22H,9,11H2,1H3,(H,23,24)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (Human))
BDBM50215483
PNG
(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol...)
Show SMILES COc1ccc2[nH]c3C(NCCc3c2c1)C(O)=O |w:8.17|
Show InChI InChI=1S/C13H14N2O3/c1-18-7-2-3-10-9(6-7)8-4-5-14-12(13(16)17)11(8)15-10/h2-3,6,12,14-15H,4-5H2,1H3,(H,16,17)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PRAK


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215511
PNG
(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole...)
Show SMILES OC(=O)C1NCCc2c1[nH]c1ccc(Cl)cc21 |w:3.2|
Show InChI InChI=1S/C12H11ClN2O2/c13-6-1-2-9-8(5-6)7-3-4-14-11(12(16)17)10(7)15-9/h1-2,5,11,14-15H,3-4H2,(H,16,17)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (Human))
BDBM50215481
PNG
(5-methoxy-9,12-diazatetracyclo[10.2.1.0^{2,10}.0^{...)
Show SMILES COc1ccc2[nH]c3C(N4CCC(C4)c3c2c1)C(O)=O |w:12.12,8.20,TEB:17:8:13:11.10|
Show InChI InChI=1S/C15H16N2O3/c1-20-9-2-3-11-10(6-9)12-8-4-5-17(7-8)14(15(18)19)13(12)16-11/h2-3,6,8,14,16H,4-5,7H2,1H3,(H,18,19)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PRAK


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 5


(Homo sapiens (Human))
BDBM50215497
PNG
(5-methoxy-9,12-diazatetracyclo[10.3.1.0^{2,10}.0^{...)
Show SMILES COc1ccc2[nH]c3C(N4CCCC(C4)c3c2c1)C(O)=O |w:13.13,8.21,TEB:18:8:14:12.11.10|
Show InChI InChI=1S/C16H18N2O3/c1-21-10-4-5-12-11(7-10)13-9-3-2-6-18(8-9)15(16(19)20)14(13)17-12/h4-5,7,9,15,17H,2-3,6,8H2,1H3,(H,19,20)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PRAK


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215512
PNG
(6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole...)
Show SMILES OC(=O)C1NCCc2c1[nH]c1ccc(F)cc21 |w:3.2|
Show InChI InChI=1S/C12H11FN2O2/c13-6-1-2-9-8(5-6)7-3-4-14-11(12(16)17)10(7)15-9/h1-2,5,11,14-15H,3-4H2,(H,16,17)
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n/an/a 2.60E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215491
PNG
(6-carbamoyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]ind...)
Show SMILES NC(=O)c1ccc2[nH]c3C(NCCc3c2c1)C(O)=O |w:9.18|
Show InChI InChI=1S/C13H13N3O3/c14-12(17)6-1-2-9-8(5-6)7-3-4-15-11(13(18)19)10(7)16-9/h1-2,5,11,15-16H,3-4H2,(H2,14,17)(H,18,19)
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n/an/a 2.80E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215492
PNG
(CHEMBL394125 | ethyl 5-methoxy-9,12-diazatetracycl...)
Show SMILES CCOC(=O)C1N2CCC(C2)c2c1[nH]c1ccc(OC)cc21 |w:9.9,5.4,TEB:3:5:10:8.7|
Show InChI InChI=1S/C17H20N2O3/c1-3-22-17(20)16-15-14(10-6-7-19(16)9-10)12-8-11(21-2)4-5-13(12)18-15/h4-5,8,10,16,18H,3,6-7,9H2,1-2H3
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n/an/a 2.93E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215522
PNG
(5-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol...)
Show SMILES COc1cccc2[nH]c3C(NCCc3c12)C(O)=O |w:9.17|
Show InChI InChI=1S/C13H14N2O3/c1-18-9-4-2-3-8-10(9)7-5-6-14-12(13(16)17)11(7)15-8/h2-4,12,14-15H,5-6H2,1H3,(H,16,17)
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PubMed
n/an/a 4.20E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215498
PNG
(CHEMBL395132 | methyl 6-methoxy-2,3,4,9-tetrahydro...)
Show SMILES COC(=O)C1NCCc2c1[nH]c1ccc(OC)cc21 |w:4.3|
Show InChI InChI=1S/C14H16N2O3/c1-18-8-3-4-11-10(7-8)9-5-6-15-13(12(9)16-11)14(17)19-2/h3-4,7,13,15-16H,5-6H2,1-2H3
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n/an/a 4.70E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215525
PNG
(7-hydroxy-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3...)
Show SMILES COc1cc2c3CCNC(C(O)=O)c3[nH]c2cc1O |w:9.9|
Show InChI InChI=1S/C13H14N2O4/c1-19-10-4-7-6-2-3-14-12(13(17)18)11(6)15-8(7)5-9(10)16/h4-5,12,14-16H,2-3H2,1H3,(H,17,18)
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n/an/a 5.30E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215528
PNG
(3-ethyl-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4...)
Show SMILES CCC1Cc2c([nH]c3ccc(OC)cc23)C(N1)C(O)=O |w:15.19,2.1|
Show InChI InChI=1S/C15H18N2O3/c1-3-8-6-11-10-7-9(20-2)4-5-12(10)17-13(11)14(16-8)15(18)19/h4-5,7-8,14,16-17H,3,6H2,1-2H3,(H,18,19)
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n/an/a 6.40E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215516
PNG
(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carbox...)
Show SMILES OC(=O)C1NCCc2c1[nH]c1ccccc21 |w:3.2|
Show InChI InChI=1S/C12H12N2O2/c15-12(16)11-10-8(5-6-13-11)7-3-1-2-4-9(7)14-10/h1-4,11,13-14H,5-6H2,(H,15,16)
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n/an/a 8.70E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215499
PNG
(CHEMBL248312 | N-hydroxy-6-methoxy-2,3,4,9-tetrahy...)
Show SMILES COc1ccc2[nH]c3C(NCCc3c2c1)C(=O)NO |w:8.17|
Show InChI InChI=1S/C13H15N3O3/c1-19-7-2-3-10-9(6-7)8-4-5-14-12(11(8)15-10)13(17)16-18/h2-3,6,12,14-15,18H,4-5H2,1H3,(H,16,17)
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n/an/a 8.80E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 3


(Homo sapiens (Human))
BDBM50215481
PNG
(5-methoxy-9,12-diazatetracyclo[10.2.1.0^{2,10}.0^{...)
Show SMILES COc1ccc2[nH]c3C(N4CCC(C4)c3c2c1)C(O)=O |w:12.12,8.20,TEB:17:8:13:11.10|
Show InChI InChI=1S/C15H16N2O3/c1-20-9-2-3-11-10(6-9)12-8-4-5-17(7-8)14(15(18)19)13(12)16-11/h2-3,6,8,14,16H,4-5,7H2,1H3,(H,18,19)
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n/an/a 9.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK3


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50215483
PNG
(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol...)
Show SMILES COc1ccc2[nH]c3C(NCCc3c2c1)C(O)=O |w:8.17|
Show InChI InChI=1S/C13H14N2O3/c1-18-7-2-3-10-9(6-7)8-4-5-14-12(13(16)17)11(8)15-10/h2-3,6,12,14-15H,4-5H2,1H3,(H,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50215481
PNG
(5-methoxy-9,12-diazatetracyclo[10.2.1.0^{2,10}.0^{...)
Show SMILES COc1ccc2[nH]c3C(N4CCC(C4)c3c2c1)C(O)=O |w:12.12,8.20,TEB:17:8:13:11.10|
Show InChI InChI=1S/C15H16N2O3/c1-20-9-2-3-11-10(6-9)12-8-4-5-17(7-8)14(15(18)19)13(12)16-11/h2-3,6,8,14,16H,4-5,7H2,1H3,(H,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50215483
PNG
(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol...)
Show SMILES COc1ccc2[nH]c3C(NCCc3c2c1)C(O)=O |w:8.17|
Show InChI InChI=1S/C13H14N2O3/c1-18-7-2-3-10-9(6-7)8-4-5-14-12(13(16)17)11(8)15-10/h2-3,6,12,14-15H,4-5H2,1H3,(H,16,17)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215521
PNG
(6-methoxy-1-(2H-tetrazol-5-yl)-2,3,4,9-tetrahydro-...)
Show SMILES COc1ccc2[nH]c3C(NCCc3c2c1)c1nnn[nH]1
Show InChI InChI=1S/C13H14N6O/c1-20-7-2-3-10-9(6-7)8-4-5-14-12(11(8)15-10)13-16-18-19-17-13/h2-3,6,12,14-15H,4-5H2,1H3,(H,16,17,18,19)
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n/an/a 1.30E+5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215484
PNG
(2-benzyl-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,...)
Show SMILES COc1ccc2[nH]c3C(N(Cc4ccccc4)CCc3c2c1)C(O)=O |w:8.25|
Show InChI InChI=1S/C20H20N2O3/c1-25-14-7-8-17-16(11-14)15-9-10-22(12-13-5-3-2-4-6-13)19(20(23)24)18(15)21-17/h2-8,11,19,21H,9-10,12H2,1H3,(H,23,24)
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n/an/a 1.30E+5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 3


(Homo sapiens (Human))
BDBM50215497
PNG
(5-methoxy-9,12-diazatetracyclo[10.3.1.0^{2,10}.0^{...)
Show SMILES COc1ccc2[nH]c3C(N4CCCC(C4)c3c2c1)C(O)=O |w:13.13,8.21,TEB:18:8:14:12.11.10|
Show InChI InChI=1S/C16H18N2O3/c1-21-10-4-5-12-11(7-10)13-9-3-2-6-18(8-9)15(16(19)20)14(13)17-12/h4-5,7,9,15,17H,2-3,6,8H2,1H3,(H,19,20)
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n/an/a 1.60E+5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK3


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215515
PNG
(6-acetoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol...)
Show SMILES CC(=O)Oc1ccc2[nH]c3C(NCCc3c2c1)C(O)=O |w:10.19|
Show InChI InChI=1S/C14H14N2O4/c1-7(17)20-8-2-3-11-10(6-8)9-4-5-15-13(14(18)19)12(9)16-11/h2-3,6,13,15-16H,4-5H2,1H3,(H,18,19)
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n/an/a 1.70E+5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215527
PNG
(2-isopropyl-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido...)
Show SMILES COc1ccc2[nH]c3C(N(CCc3c2c1)C(C)C)C(O)=O |w:8.20|
Show InChI InChI=1S/C16H20N2O3/c1-9(2)18-7-6-11-12-8-10(21-3)4-5-13(12)17-14(11)15(18)16(19)20/h4-5,8-9,15,17H,6-7H2,1-3H3,(H,19,20)
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n/an/a 1.70E+5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215514
PNG
((6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indo...)
Show SMILES COc1ccc2[nH]c3C(CN)NCCc3c2c1 |w:8.8|
Show InChI InChI=1S/C13H17N3O/c1-17-8-2-3-11-10(6-8)9-4-5-15-12(7-14)13(9)16-11/h2-3,6,12,15-16H,4-5,7,14H2,1H3
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n/an/a>2.00E+5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215519
PNG
(8-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol...)
Show SMILES COc1cccc2c3CCNC(C(O)=O)c3[nH]c12 |w:11.11|
Show InChI InChI=1S/C13H14N2O3/c1-18-9-4-2-3-7-8-5-6-14-12(13(16)17)11(8)15-10(7)9/h2-4,12,14-15H,5-6H2,1H3,(H,16,17)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215518
PNG
(CHEMBL396163 | methyl 6-methoxy-9H-pyrido[3,4-b]in...)
Show SMILES COC(=O)c1nccc2c3cc(OC)ccc3[nH]c12
Show InChI InChI=1S/C14H12N2O3/c1-18-8-3-4-11-10(7-8)9-5-6-15-13(12(9)16-11)14(17)19-2/h3-7,16H,1-2H3
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n/an/a>2.00E+5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50215483
PNG
(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol...)
Show SMILES COc1ccc2[nH]c3C(NCCc3c2c1)C(O)=O |w:8.17|
Show InChI InChI=1S/C13H14N2O3/c1-18-7-2-3-10-9(6-7)8-4-5-14-12(13(16)17)11(8)15-10/h2-3,6,12,14-15H,4-5H2,1H3,(H,16,17)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215486
PNG
((6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indo...)
Show SMILES COc1ccc2[nH]c3C(CO)NCCc3c2c1 |w:8.8|
Show InChI InChI=1S/C13H16N2O2/c1-17-8-2-3-11-10(6-8)9-4-5-14-12(7-16)13(9)15-11/h2-3,6,12,14-16H,4-5,7H2,1H3
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n/an/a>2.00E+5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215505
PNG
(2-(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]in...)
Show SMILES COc1ccc2[nH]c3C(CC(O)=O)NCCc3c2c1 |w:8.8|
Show InChI InChI=1S/C14H16N2O3/c1-19-8-2-3-11-10(6-8)9-4-5-15-12(7-13(17)18)14(9)16-11/h2-3,6,12,15-16H,4-5,7H2,1H3,(H,17,18)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-5


(Homo sapiens (Human))
BDBM50215481
PNG
(5-methoxy-9,12-diazatetracyclo[10.2.1.0^{2,10}.0^{...)
Show SMILES COc1ccc2[nH]c3C(N4CCC(C4)c3c2c1)C(O)=O |w:12.12,8.20,TEB:17:8:13:11.10|
Show InChI InChI=1S/C15H16N2O3/c1-20-9-2-3-11-10(6-9)12-8-4-5-17(7-8)14(15(18)19)13(12)16-11/h2-3,6,8,14,16H,4-5,7H2,1H3,(H,18,19)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MSK1


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50215493
PNG
(7-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol...)
Show SMILES COc1ccc2c3CCNC(C(O)=O)c3[nH]c2c1 |w:10.10|
Show InChI InChI=1S/C13H14N2O3/c1-18-7-2-3-8-9-4-5-14-12(13(16)17)11(9)15-10(8)6-7/h2-3,6,12,14-15H,4-5H2,1H3,(H,16,17)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50215481
PNG
(5-methoxy-9,12-diazatetracyclo[10.2.1.0^{2,10}.0^{...)
Show SMILES COc1ccc2[nH]c3C(N4CCC(C4)c3c2c1)C(O)=O |w:12.12,8.20,TEB:17:8:13:11.10|
Show InChI InChI=1S/C15H16N2O3/c1-20-9-2-3-11-10(6-9)12-8-4-5-17(7-8)14(15(18)19)13(12)16-11/h2-3,6,8,14,16H,4-5,7H2,1H3,(H,18,19)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of IKK2


Bioorg Med Chem Lett 17: 4657-63 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.070
BindingDB Entry DOI: 10.7270/Q2PR7VPC
More data for this
Ligand-Target Pair
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