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PubMed code 22169260

Compile data set for download or QSAR
Found 36 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
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362131
PNG
(CHEMBL1940652)
Show SMILES COc1ccncc1-c1ccccc1CN(C(=O)c1ccc(o1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C35H31N5O3/c1-42-33-16-17-38-23-31(33)30-5-3-2-4-27(30)24-40(29-12-10-28(11-13-29)39-20-18-37-19-21-39)35(41)34-15-14-32(43-34)26-8-6-25(22-36)7-9-26/h2-17,23,37H,18-21,24H2,1H3
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362124
PNG
(CHEMBL1940645)
Show SMILES O=C(N(Cc1ccccc1-c1ccc(cc1)C#N)c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C36H29N5O2/c37-23-26-5-9-28(10-6-26)33-4-2-1-3-30(33)25-41(32-15-13-31(14-16-32)40-21-19-39-20-22-40)36(42)35-18-17-34(43-35)29-11-7-27(24-38)8-12-29/h1-18,39H,19-22,25H2
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362127
PNG
(CHEMBL1940648)
Show SMILES O=C(N(Cc1ccccc1-c1cccnc1)c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C34H29N5O2/c35-22-25-7-9-26(10-8-25)32-15-16-33(41-32)34(40)39(30-13-11-29(12-14-30)38-20-18-36-19-21-38)24-28-4-1-2-6-31(28)27-5-3-17-37-23-27/h1-17,23,36H,18-21,24H2
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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362114
PNG
(CHEMBL1940518)
Show SMILES O=C(N(Cc1ccccc1-c1ccccc1)c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C35H30N4O2/c36-24-26-10-12-28(13-11-26)33-18-19-34(41-33)35(40)39(31-16-14-30(15-17-31)38-22-20-37-21-23-38)25-29-8-4-5-9-32(29)27-6-2-1-3-7-27/h1-19,37H,20-23,25H2
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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362137
PNG
(CHEMBL1940658)
Show SMILES COc1ccncc1-c1ncccc1CN(C(=O)c1ccc(o1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C34H30N6O3/c1-42-31-14-16-37-22-29(31)33-26(3-2-15-38-33)23-40(28-10-8-27(9-11-28)39-19-17-36-18-20-39)34(41)32-13-12-30(43-32)25-6-4-24(21-35)5-7-25/h2-16,22,36H,17-20,23H2,1H3
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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362117
PNG
(CHEMBL1940521)
Show SMILES Fc1ccccc1-c1ccccc1CN(C(=O)c1ccc(o1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C35H29FN4O2/c36-32-8-4-3-7-31(32)30-6-2-1-5-27(30)24-40(29-15-13-28(14-16-29)39-21-19-38-20-22-39)35(41)34-18-17-33(42-34)26-11-9-25(23-37)10-12-26/h1-18,38H,19-22,24H2
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362120
PNG
(CHEMBL1940524)
Show SMILES O=C(N(Cc1ccccc1-c1ccncc1)c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C34H29N5O2/c35-23-25-5-7-27(8-6-25)32-13-14-33(41-32)34(40)39(30-11-9-29(10-12-30)38-21-19-37-20-22-38)24-28-3-1-2-4-31(28)26-15-17-36-18-16-26/h1-18,37H,19-22,24H2
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362126
PNG
(CHEMBL1940647)
Show SMILES COc1cccc(c1)-c1ccccc1CN(C(=O)c1ccc(o1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C36H32N4O3/c1-42-32-7-4-6-28(23-32)33-8-3-2-5-29(33)25-40(31-15-13-30(14-16-31)39-21-19-38-20-22-39)36(41)35-18-17-34(43-35)27-11-9-26(24-37)10-12-27/h2-18,23,38H,19-22,25H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362136
PNG
(CHEMBL1940657)
Show SMILES COc1ccccc1-c1ncccc1CN(C(=O)c1ccc(o1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C35H31N5O3/c1-42-32-7-3-2-6-30(32)34-27(5-4-18-38-34)24-40(29-14-12-28(13-15-29)39-21-19-37-20-22-39)35(41)33-17-16-31(43-33)26-10-8-25(23-36)9-11-26/h2-18,37H,19-22,24H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362128
PNG
(CHEMBL1940649)
Show SMILES O=C(N(Cc1ccccc1-c1ccccn1)c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C34H29N5O2/c35-23-25-8-10-26(11-9-25)32-16-17-33(41-32)34(40)39(29-14-12-28(13-15-29)38-21-19-36-20-22-38)24-27-5-1-2-6-30(27)31-7-3-4-18-37-31/h1-18,36H,19-22,24H2
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362125
PNG
(CHEMBL1940646)
Show SMILES O=C(N(Cc1ccccc1-c1cccc(c1)C#N)c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C36H29N5O2/c37-23-26-8-10-28(11-9-26)34-16-17-35(43-34)36(42)41(32-14-12-31(13-15-32)40-20-18-39-19-21-40)25-30-5-1-2-7-33(30)29-6-3-4-27(22-29)24-38/h1-17,22,39H,18-21,25H2
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n/an/a 19n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362135
PNG
(CHEMBL1940656)
Show SMILES COc1ccccc1-c1ccccc1CN(C(=O)c1ccc(o1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C36H32N4O3/c1-42-34-9-5-4-8-32(34)31-7-3-2-6-28(31)25-40(30-16-14-29(15-17-30)39-22-20-38-21-23-39)36(41)35-19-18-33(43-35)27-12-10-26(24-37)11-13-27/h2-19,38H,20-23,25H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362130
PNG
(CHEMBL1940651)
Show SMILES COc1cncc(c1)-c1ccccc1CN(C(=O)c1ccc(o1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C35H31N5O3/c1-42-31-20-28(22-38-23-31)32-5-3-2-4-27(32)24-40(30-12-10-29(11-13-30)39-18-16-37-17-19-39)35(41)34-15-14-33(43-34)26-8-6-25(21-36)7-9-26/h2-15,20,22-23,37H,16-19,24H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362123
PNG
(CHEMBL1940644)
Show SMILES Cc1noc(C)c1-c1ccccc1CN(C(=O)c1ccc(o1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCNCC1 |(5.23,-8.04,;5.69,-9.51,;4.77,-10.74,;5.66,-12,;7.14,-11.54,;8.37,-12.46,;7.15,-9.99,;8.41,-9.1,;9.75,-9.86,;11.08,-9.07,;11.05,-7.52,;9.71,-6.78,;8.4,-7.56,;7.06,-6.8,;7.04,-5.26,;5.7,-4.51,;5.69,-2.97,;4.38,-5.29,;3.9,-6.76,;2.35,-6.76,;1.87,-5.29,;3.13,-4.39,;.52,-4.57,;.47,-3.03,;-.88,-2.3,;-2.2,-3.11,;-2.14,-4.66,;-.79,-5.38,;-3.55,-2.39,;-4.91,-1.66,;8.37,-4.48,;9.71,-5.24,;11.03,-4.46,;11.02,-2.92,;9.66,-2.16,;8.35,-2.95,;12.34,-2.14,;13.68,-2.9,;15,-2.12,;14.99,-.58,;13.65,.18,;12.32,-.6,)|
Show InChI InChI=1S/C34H31N5O3/c1-23-33(24(2)42-37-23)30-6-4-3-5-27(30)22-39(29-13-11-28(12-14-29)38-19-17-36-18-20-38)34(40)32-16-15-31(41-32)26-9-7-25(21-35)8-10-26/h3-16,36H,17-20,22H2,1-2H3
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n/an/a 21n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362133
PNG
(CHEMBL1940654)
Show SMILES COc1cc(ccn1)-c1ccccc1CN(C(=O)c1ccc(o1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C35H31N5O3/c1-42-34-22-27(16-17-38-34)31-5-3-2-4-28(31)24-40(30-12-10-29(11-13-30)39-20-18-37-19-21-39)35(41)33-15-14-32(43-33)26-8-6-25(23-36)7-9-26/h2-17,22,37H,18-21,24H2,1H3
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n/an/a 24n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362129
PNG
(CHEMBL1940650)
Show SMILES O=C(N(Cc1ccccc1-c1cncnc1)c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C33H28N6O2/c34-19-24-5-7-25(8-6-24)31-13-14-32(41-31)33(40)39(29-11-9-28(10-12-29)38-17-15-35-16-18-38)22-26-3-1-2-4-30(26)27-20-36-23-37-21-27/h1-14,20-21,23,35H,15-18,22H2
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n/an/a 27n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362112
PNG
(CHEMBL1940516)
Show SMILES O=C(N(Cc1ccc(cc1)-c1ccccc1)c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C35H30N4O2/c36-24-26-6-12-30(13-7-26)33-18-19-34(41-33)35(40)39(32-16-14-31(15-17-32)38-22-20-37-21-23-38)25-27-8-10-29(11-9-27)28-4-2-1-3-5-28/h1-19,37H,20-23,25H2
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n/an/a 41n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362132
PNG
(CHEMBL1940653)
Show SMILES COc1ccc(cn1)-c1ccccc1CN(C(=O)c1ccc(o1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C35H31N5O3/c1-42-34-17-10-27(23-38-34)31-5-3-2-4-28(31)24-40(30-13-11-29(12-14-30)39-20-18-37-19-21-39)35(41)33-16-15-32(43-33)26-8-6-25(22-36)7-9-26/h2-17,23,37H,18-21,24H2,1H3
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n/an/a 43n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362134
PNG
(CHEMBL1940655)
Show SMILES COc1ncc(cn1)-c1ccccc1CN(C(=O)c1ccc(o1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C34H30N6O3/c1-42-34-37-21-27(22-38-34)30-5-3-2-4-26(30)23-40(29-12-10-28(11-13-29)39-18-16-36-17-19-39)33(41)32-15-14-31(43-32)25-8-6-24(20-35)7-9-25/h2-15,21-22,36H,16-19,23H2,1H3
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n/an/a 52n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362113
PNG
(CHEMBL1940517)
Show SMILES O=C(N(Cc1cccc(c1)-c1ccccc1)c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C35H30N4O2/c36-24-26-9-11-29(12-10-26)33-17-18-34(41-33)35(40)39(32-15-13-31(14-16-32)38-21-19-37-20-22-38)25-27-5-4-8-30(23-27)28-6-2-1-3-7-28/h1-18,23,37H,19-22,25H2
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n/an/a 70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362111
PNG
(CHEMBL1940513)
Show SMILES Cc1cccc(CN(C(=O)c2ccc(o2)-c2ccc(cc2)C#N)c2ccc(cc2)N2CCNCC2)n1
Show InChI InChI=1S/C29H27N5O2/c1-21-3-2-4-24(32-21)20-34(26-11-9-25(10-12-26)33-17-15-31-16-18-33)29(35)28-14-13-27(36-28)23-7-5-22(19-30)6-8-23/h2-14,31H,15-18,20H2,1H3
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n/an/a 79n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362138
PNG
(CHEMBL1940659)
Show SMILES O=C(N(Cc1cccnc1-c1cncnc1)c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C32H27N7O2/c33-18-23-3-5-24(6-4-23)29-11-12-30(41-29)32(40)39(28-9-7-27(8-10-28)38-16-14-34-15-17-38)21-25-2-1-13-37-31(25)26-19-35-22-36-20-26/h1-13,19-20,22,34H,14-17,21H2
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n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362119
PNG
(CHEMBL1940523)
Show SMILES O=C(N(Cc1cccc(c1)-c1ccncc1)c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C34H29N5O2/c35-23-25-4-6-28(7-5-25)32-12-13-33(41-32)34(40)39(31-10-8-30(9-11-31)38-20-18-37-19-21-38)24-26-2-1-3-29(22-26)27-14-16-36-17-15-27/h1-17,22,37H,18-21,24H2
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n/an/a 110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362106
PNG
(CHEMBL1938681)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)N(Cc1ccccn1)c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C27H25ClN4O2/c28-21-6-4-20(5-7-21)25-12-13-26(34-25)27(33)32(19-22-3-1-2-14-30-22)24-10-8-23(9-11-24)31-17-15-29-16-18-31/h1-14,29H,15-19H2
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n/an/a 110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362107
PNG
(CHEMBL1940509)
Show SMILES O=C(N(Cc1ccccn1)c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C28H25N5O2/c29-19-21-4-6-22(7-5-21)26-12-13-27(35-26)28(34)33(20-23-3-1-2-14-31-23)25-10-8-24(9-11-25)32-17-15-30-16-18-32/h1-14,30H,15-18,20H2
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n/an/a 115n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362118
PNG
(CHEMBL1940522)
Show SMILES O=C(N(Cc1ccc(cc1)-c1ccncc1)c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C34H29N5O2/c35-23-25-1-7-29(8-2-25)32-13-14-33(41-32)34(40)39(31-11-9-30(10-12-31)38-21-19-37-20-22-38)24-26-3-5-27(6-4-26)28-15-17-36-18-16-28/h1-18,37H,19-22,24H2
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n/an/a 128n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362140
PNG
(CHEMBL1940661)
Show SMILES O=C(N(Cc1ccccc1-c1cccnc1)c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(nc1)C#N
Show InChI InChI=1S/C33H28N6O2/c34-20-27-8-7-25(22-37-27)31-13-14-32(41-31)33(40)39(29-11-9-28(10-12-29)38-18-16-35-17-19-38)23-26-4-1-2-6-30(26)24-5-3-15-36-21-24/h1-15,21-22,35H,16-19,23H2
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n/an/a 177n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362139
PNG
(CHEMBL1940660)
Show SMILES O=C(N(Cc1ccccc1-c1ccccc1)c1ccc(cc1)N1CCNCC1)c1ccc(o1)-c1ccc(nc1)C#N
Show InChI InChI=1S/C34H29N5O2/c35-22-28-11-10-26(23-37-28)32-16-17-33(41-32)34(40)39(30-14-12-29(13-15-30)38-20-18-36-19-21-38)24-27-8-4-5-9-31(27)25-6-2-1-3-7-25/h1-17,23,36H,18-21,24H2
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n/an/a 258n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362122
PNG
(CHEMBL1938419)
Show SMILES Cc1cccc(C)c1-c1ccccc1CN(C(=O)c1ccc(o1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCNCC1 |(8.65,-9.87,;7.31,-9.11,;5.99,-9.9,;4.65,-9.14,;4.63,-7.6,;5.95,-6.82,;5.94,-5.28,;7.29,-7.58,;8.62,-6.79,;9.96,-7.55,;11.29,-6.76,;11.27,-5.22,;9.93,-4.47,;8.61,-5.25,;7.27,-4.5,;7.25,-2.96,;5.91,-2.2,;5.9,-.66,;4.59,-2.98,;4.11,-4.46,;2.56,-4.46,;2.08,-2.99,;3.34,-2.08,;.73,-2.26,;.68,-.72,;-.67,.01,;-1.99,-.8,;-1.93,-2.35,;-.58,-3.07,;-3.34,-.08,;-4.7,.65,;8.58,-2.17,;9.92,-2.93,;11.24,-2.15,;11.23,-.61,;9.88,.15,;8.56,-.64,;12.55,.17,;13.9,-.59,;15.22,.19,;15.21,1.73,;13.86,2.49,;12.53,1.71,)|
Show InChI InChI=1S/C37H34N4O2/c1-26-6-5-7-27(2)36(26)33-9-4-3-8-30(33)25-41(32-16-14-31(15-17-32)40-22-20-39-21-23-40)37(42)35-19-18-34(43-35)29-12-10-28(24-38)11-13-29/h3-19,39H,20-23,25H2,1-2H3
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n/an/a 258n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362121
PNG
(CHEMBL1940643)
Show SMILES Cc1ccccc1-c1ccccc1CN(C(=O)c1ccc(o1)-c1ccc(cc1)C#N)c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C36H32N4O2/c1-26-6-2-4-8-32(26)33-9-5-3-7-29(33)25-40(31-16-14-30(15-17-31)39-22-20-38-21-23-39)36(41)35-19-18-34(42-35)28-12-10-27(24-37)11-13-28/h2-19,38H,20-23,25H2,1H3
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n/an/a 285n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362116
PNG
(CHEMBL1940520)
Show SMILES Fc1ccccc1-c1cccc(CN(C(=O)c2ccc(o2)-c2ccc(cc2)C#N)c2ccc(cc2)N2CCNCC2)c1
Show InChI InChI=1S/C35H29FN4O2/c36-32-7-2-1-6-31(32)28-5-3-4-26(22-28)24-40(30-14-12-29(13-15-30)39-20-18-38-19-21-39)35(41)34-17-16-33(42-34)27-10-8-25(23-37)9-11-27/h1-17,22,38H,18-21,24H2
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n/an/a 1.45E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362115
PNG
(CHEMBL1940519)
Show SMILES Fc1ccccc1-c1ccc(CN(C(=O)c2ccc(o2)-c2ccc(cc2)C#N)c2ccc(cc2)N2CCNCC2)cc1
Show InChI InChI=1S/C35H29FN4O2/c36-32-4-2-1-3-31(32)27-9-7-26(8-10-27)24-40(30-15-13-29(14-16-30)39-21-19-38-20-22-39)35(41)34-18-17-33(42-34)28-11-5-25(23-37)6-12-28/h1-18,38H,19-22,24H2
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n/an/a 1.92E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362108
PNG
(CHEMBL1940510)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)N(Cc1ccccn1)C1CCC(CC1)N1CCNCC1 |(-.6,-7.34,;.94,-7.33,;1.7,-5.99,;3.24,-5.99,;4.01,-7.32,;3.25,-8.65,;1.72,-8.66,;5.55,-7.31,;6.47,-8.56,;7.93,-8.07,;7.93,-6.52,;6.46,-6.05,;9.26,-5.75,;9.25,-4.21,;10.59,-6.51,;10.6,-8.05,;11.94,-8.82,;11.93,-10.36,;13.27,-11.12,;14.6,-10.35,;14.59,-8.8,;13.25,-8.04,;11.92,-5.74,;13.26,-6.51,;14.59,-5.73,;14.58,-4.19,;13.24,-3.43,;11.91,-4.21,;15.91,-3.43,;17.25,-4.19,;18.57,-3.42,;18.57,-1.88,;17.24,-1.11,;15.9,-1.89,)|
Show InChI InChI=1S/C27H31ClN4O2/c28-21-6-4-20(5-7-21)25-12-13-26(34-25)27(33)32(19-22-3-1-2-14-30-22)24-10-8-23(9-11-24)31-17-15-29-16-18-31/h1-7,12-14,23-24,29H,8-11,15-19H2
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n/an/a 4.74E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362109
PNG
(CHEMBL1940511)
Show SMILES CN1CCN(CCCN(Cc2ccccn2)C(=O)c2ccc(o2)-c2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C26H29N5O2/c1-29-15-17-30(18-16-29)13-4-14-31(20-23-5-2-3-12-28-23)26(32)25-11-10-24(33-25)22-8-6-21(19-27)7-9-22/h2-3,5-12H,4,13-18,20H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362110
PNG
(CHEMBL1940512)
Show SMILES O=C(N(Cc1ccccn1)C1CCNCC1)c1ccc(o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H22N4O2/c24-15-17-4-6-18(7-5-17)21-8-9-22(29-21)23(28)27(20-10-13-25-14-11-20)16-19-3-1-2-12-26-19/h1-9,12,20,25H,10-11,13-14,16H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MK2


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362106
PNG
(CHEMBL1938681)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)N(Cc1ccccn1)c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C27H25ClN4O2/c28-21-6-4-20(5-7-21)25-12-13-26(34-25)27(33)32(19-22-3-1-2-14-30-22)24-10-8-23(9-11-24)31-17-15-29-16-18-31/h1-14,29H,15-19H2
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n/an/an/an/a 350n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2-mediated HSP27 phosphorylation by cell-based assay


Bioorg Med Chem Lett 22: 65-70 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.074
BindingDB Entry DOI: 10.7270/Q2R78FNS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%