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PubMed code 24913714

Compile data set for download or QSAR
Found 53 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))
BDBM50434489
PNG
(CHEMBL2385547)
Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3-c3cncnc3)C(=O)c2o1)N1CCNCC1
Show InChI InChI=1S/C33H28ClN5O2/c34-27-7-5-22(6-8-27)31-17-25-15-24-16-28(38-13-11-35-12-14-38)9-10-30(24)39(33(40)32(25)41-31)20-23-3-1-2-4-29(23)26-18-36-21-37-19-26/h1-10,16-19,21,35H,11-15,20H2
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n/an/a 5.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) incubated for 30 mins by MK2 IMAP assay


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50045412
PNG
(CHEMBL3314153)
Show SMILES Clc1cc(ccc1N1CCNCC1)-n1ccnc1-c1ccc(o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H20ClN5O/c25-20-15-19(5-6-21(20)29-12-9-27-10-13-29)30-14-11-28-24(30)23-8-7-22(31-23)18-3-1-17(16-26)2-4-18/h1-8,11,14-15,27H,9-10,12-13H2
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n/an/a 7.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) incubated for 30 mins by MK2 IMAP assay


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50045417
PNG
(CHEMBL3314148)
Show SMILES Clc1cc(ccc1-n1ccnc1-c1ccc(o1)-c1ccc(cc1)C#N)N1CCNCC1
Show InChI InChI=1S/C24H20ClN5O/c25-20-15-19(29-12-9-27-10-13-29)5-6-21(20)30-14-11-28-24(30)23-8-7-22(31-23)18-3-1-17(16-26)2-4-18/h1-8,11,14-15,27H,9-10,12-13H2
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) incubated for 30 mins by MK2 IMAP assay


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50045423
PNG
(CHEMBL3314142)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nncn1-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C22H20ClN5O/c23-17-3-1-16(2-4-17)20-9-10-21(29-20)22-26-25-15-28(22)19-7-5-18(6-8-19)27-13-11-24-12-14-27/h1-10,15,24H,11-14H2
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) incubated for 30 mins by MK2 IMAP assay


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50045418
PNG
(CHEMBL3314147)
Show SMILES Fc1cc(ccc1-n1ccnc1-c1ccc(o1)-c1ccc(cc1)C#N)N1CCNCC1
Show InChI InChI=1S/C24H20FN5O/c25-20-15-19(29-12-9-27-10-13-29)5-6-21(20)30-14-11-28-24(30)23-8-7-22(31-23)18-3-1-17(16-26)2-4-18/h1-8,11,14-15,27H,9-10,12-13H2
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n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) incubated for 30 mins by MK2 IMAP assay


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50045416
PNG
(CHEMBL3314149)
Show SMILES Cc1cc(ccc1-n1ccnc1-c1ccc(o1)-c1ccc(cc1)C#N)N1CCNCC1
Show InChI InChI=1S/C25H23N5O/c1-18-16-21(29-13-10-27-11-14-29)6-7-22(18)30-15-12-28-25(30)24-9-8-23(31-24)20-4-2-19(17-26)3-5-20/h2-9,12,15-16,27H,10-11,13-14H2,1H3
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n/an/a 17n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) incubated for 30 mins by MK2 IMAP assay


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50045415
PNG
(CHEMBL3314150)
Show SMILES Brc1cc(ccc1-n1ccnc1-c1ccc(o1)-c1ccc(cc1)C#N)N1CCNCC1
Show InChI InChI=1S/C24H20BrN5O/c25-20-15-19(29-12-9-27-10-13-29)5-6-21(20)30-14-11-28-24(30)23-8-7-22(31-23)18-3-1-17(16-26)2-4-18/h1-8,11,14-15,27H,9-10,12-13H2
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n/an/a 22n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) incubated for 30 mins by MK2 IMAP assay


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50045422
PNG
(CHEMBL3314143)
Show SMILES N#Cc1ccc(cc1)-c1ccc(o1)-c1nncn1-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H20N6O/c24-15-17-1-3-18(4-2-17)21-9-10-22(30-21)23-27-26-16-29(23)20-7-5-19(6-8-20)28-13-11-25-12-14-28/h1-10,16,25H,11-14H2
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n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) incubated for 30 mins by MK2 IMAP assay


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50045373
PNG
(CHEMBL3315291)
Show SMILES FC1(CCNCC1)c1ccc(cc1)-n1ccnc1-c1ccc(o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H21FN4O/c26-25(11-13-28-14-12-25)20-5-7-21(8-6-20)30-16-15-29-24(30)23-10-9-22(31-23)19-3-1-18(17-27)2-4-19/h1-10,15-16,28H,11-14H2
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n/an/a 25n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) incubated for 30 mins by MK2 IMAP assay


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50045371
PNG
(CHEMBL3315292)
Show SMILES OC1(CCNCC1)c1ccc(cc1)-n1ccnc1-c1ccc(o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H22N4O2/c26-17-18-1-3-19(4-2-18)22-9-10-23(31-22)24-28-15-16-29(24)21-7-5-20(6-8-21)25(30)11-13-27-14-12-25/h1-10,15-16,27,30H,11-14H2
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n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) incubated for 30 mins by MK2 IMAP assay


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50045374
PNG
(CHEMBL3315290)
Show SMILES OC1(CCNCC1)c1ccc(cc1)-n1ccnc1-c1ccc(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H22ClN3O2/c25-19-5-1-17(2-6-19)21-9-10-22(30-21)23-27-15-16-28(23)20-7-3-18(4-8-20)24(29)11-13-26-14-12-24/h1-10,15-16,26,29H,11-14H2
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n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) incubated for 30 mins by MK2 IMAP assay


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50045409
PNG
(CHEMBL3314156)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)C1CCCNC1
Show InChI InChI=1/C24H22ClN3O/c25-20-7-3-18(4-8-20)22-11-12-23(29-22)24-27-14-15-28(24)21-9-5-17(6-10-21)19-2-1-13-26-16-19/h3-12,14-15,19,26H,1-2,13,16H2
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n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) incubated for 30 mins by MK2 IMAP assay


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50045370
PNG
(CHEMBL3314140)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H21ClN4O/c24-18-3-1-17(2-4-18)21-9-10-22(29-21)23-26-13-16-28(23)20-7-5-19(6-8-20)27-14-11-25-12-15-27/h1-10,13,16,25H,11-12,14-15H2
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n/an/a 26n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) incubated for 30 mins by MK2 IMAP assay


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50045414
PNG
(CHEMBL3314151)
Show SMILES FC(F)(F)c1cc(ccc1-n1ccnc1-c1ccc(o1)-c1ccc(cc1)C#N)N1CCNCC1
Show InChI InChI=1S/C25H20F3N5O/c26-25(27,28)20-15-19(32-12-9-30-10-13-32)5-6-21(20)33-14-11-31-24(33)23-8-7-22(34-23)18-3-1-17(16-29)2-4-18/h1-8,11,14-15,30H,9-10,12-13H2
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n/an/a 31n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) incubated for 30 mins by MK2 IMAP assay


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50045411
PNG
(CHEMBL3314154)
Show SMILES Brc1cc(ccc1N1CCNCC1)-n1ccnc1-c1ccc(o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H20BrN5O/c25-20-15-19(5-6-21(20)29-12-9-27-10-13-29)30-14-11-28-24(30)23-8-7-22(31-23)18-3-1-17(16-26)2-4-18/h1-8,11,14-15,27H,9-10,12-13H2
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n/an/a 36n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) incubated for 30 mins by MK2 IMAP assay


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50045410
PNG
(CHEMBL3314155)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)C1CCNCC1
Show InChI InChI=1S/C24H22ClN3O/c25-20-5-1-19(2-6-20)22-9-10-23(29-22)24-27-15-16-28(24)21-7-3-17(4-8-21)18-11-13-26-14-12-18/h1-10,15-16,18,26H,11-14H2
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n/an/a 37n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) incubated for 30 mins by MK2 IMAP assay


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50045413
PNG
(CHEMBL3314152)
Show SMILES N#Cc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1-c1cncnc1)N1CCNCC1
Show InChI InChI=1S/C28H23N7O/c29-16-20-1-3-21(4-2-20)26-7-8-27(36-26)28-33-11-14-35(28)25-6-5-23(34-12-9-30-10-13-34)15-24(25)22-17-31-19-32-18-22/h1-8,11,14-15,17-19,30H,9-10,12-13H2
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n/an/a 44n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) incubated for 30 mins by MK2 IMAP assay


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50045399
PNG
(CHEMBL3315287)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)[C@H]1CNCCO1 |r|
Show InChI InChI=1/C23H20ClN3O2/c24-18-5-1-16(2-6-18)20-9-10-21(29-20)23-26-11-13-27(23)19-7-3-17(4-8-19)22-15-25-12-14-28-22/h1-11,13,22,25H,12,14-15H2/t22-/s2
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n/an/a 55n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) incubated for 30 mins by MK2 IMAP assay


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50045404
PNG
(CHEMBL3315286)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)C1CNCC=C1 |c:31|
Show InChI InChI=1/C24H20ClN3O/c25-20-7-3-18(4-8-20)22-11-12-23(29-22)24-27-14-15-28(24)21-9-5-17(6-10-21)19-2-1-13-26-16-19/h1-12,14-15,19,26H,13,16H2
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n/an/a 65n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) incubated for 30 mins by MK2 IMAP assay


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50045385
PNG
(CHEMBL3315289)
Show SMILES FC1(CCNCC1)c1ccc(cc1)-n1ccnc1-c1ccc(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClFN3O/c25-19-5-1-17(2-6-19)21-9-10-22(30-21)23-28-15-16-29(23)20-7-3-18(4-8-20)24(26)11-13-27-14-12-24/h1-10,15-16,27H,11-14H2
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n/an/a 67n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) incubated for 30 mins by MK2 IMAP assay


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50045394
PNG
(CHEMBL3315288)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)[C@@H]1CNCCO1 |r|
Show InChI InChI=1/C23H20ClN3O2/c24-18-5-1-16(2-6-18)20-9-10-21(29-20)23-26-11-13-27(23)19-7-3-17(4-8-19)22-15-25-12-14-28-22/h1-11,13,22,25H,12,14-15H2/t22-/s2
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n/an/a 75n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) incubated for 30 mins by MK2 IMAP assay


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50045425
PNG
(CHEMBL3314141)
Show SMILES N#Cc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C24H21N5O/c25-17-18-1-3-19(4-2-18)22-9-10-23(30-22)24-27-13-16-29(24)21-7-5-20(6-8-21)28-14-11-26-12-15-28/h1-10,13,16,26H,11-12,14-15H2
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n/an/a 85n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) incubated for 30 mins by MK2 IMAP assay


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50045419
PNG
(CHEMBL3314146)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nc2ccccc2n1-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C27H23ClN4O/c28-20-7-5-19(6-8-20)25-13-14-26(33-25)27-30-23-3-1-2-4-24(23)32(27)22-11-9-21(10-12-22)31-17-15-29-16-18-31/h1-14,29H,15-18H2
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n/an/a 95n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) incubated for 30 mins by MK2 IMAP assay


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50045421
PNG
(CHEMBL3314144)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1ncnn1-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C22H20ClN5O/c23-17-3-1-16(2-4-17)20-9-10-21(29-20)22-25-15-26-28(22)19-7-5-18(6-8-19)27-13-11-24-12-14-27/h1-10,15,24H,11-14H2
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n/an/a 157n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) incubated for 30 mins by MK2 IMAP assay


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50045407
PNG
(CHEMBL3314157)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)C1CCCCN1
Show InChI InChI=1/C24H22ClN3O/c25-19-8-4-18(5-9-19)22-12-13-23(29-22)24-27-15-16-28(24)20-10-6-17(7-11-20)21-3-1-2-14-26-21/h4-13,15-16,21,26H,1-3,14H2
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n/an/a 160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) incubated for 30 mins by MK2 IMAP assay


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50045420
PNG
(CHEMBL3314145)
Show SMILES N#Cc1ccc(cc1)-c1ccc(o1)-c1nnnn1-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C22H19N7O/c23-15-16-1-3-17(4-2-16)20-9-10-21(30-20)22-25-26-27-29(22)19-7-5-18(6-8-19)28-13-11-24-12-14-28/h1-10,24H,11-14H2
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n/an/a 450n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) incubated for 30 mins by MK2 IMAP assay


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50045370
PNG
(CHEMBL3314140)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H21ClN4O/c24-18-3-1-17(2-4-18)21-9-10-22(29-21)23-26-13-16-28(23)20-7-5-19(6-8-20)27-14-11-25-12-15-27/h1-10,13,16,25H,11-12,14-15H2
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n/an/a 2.14E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 in human THP1 cells assessed as reduction in LPS-induced HSP27 Ser78 phosphorylation after 60 mins


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50045405
PNG
(CHEMBL3315285)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C24H16ClN3O/c25-20-7-3-18(4-8-20)22-11-12-23(29-22)24-27-14-15-28(24)21-9-5-17(6-10-21)19-2-1-13-26-16-19/h1-16H
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n/an/a 3.39E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) incubated for 30 mins by MK2 IMAP assay


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50045406
PNG
(CHEMBL3314158)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C24H16ClN3O/c25-20-5-1-19(2-6-20)22-9-10-23(29-22)24-27-15-16-28(24)21-7-3-17(4-8-21)18-11-13-26-14-12-18/h1-16H
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n/an/a 3.73E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) incubated for 30 mins by MK2 IMAP assay


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50045370
PNG
(CHEMBL3314140)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H21ClN4O/c24-18-3-1-17(2-4-18)21-9-10-22(29-21)23-26-13-16-28(23)20-7-5-19(6-8-20)27-14-11-25-12-15-27/h1-10,13,16,25H,11-12,14-15H2
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of AKT1 (unknown origin)


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50045370
PNG
(CHEMBL3314140)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H21ClN4O/c24-18-3-1-17(2-4-18)21-9-10-22(29-21)23-26-13-16-28(23)20-7-5-19(6-8-20)27-14-11-25-12-15-27/h1-10,13,16,25H,11-12,14-15H2
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin)


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50045370
PNG
(CHEMBL3314140)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H21ClN4O/c24-18-3-1-17(2-4-18)21-9-10-22(29-21)23-26-13-16-28(23)20-7-5-19(6-8-20)27-14-11-25-12-15-27/h1-10,13,16,25H,11-12,14-15H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CSNK1D (unknown origin)


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50045370
PNG
(CHEMBL3314140)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H21ClN4O/c24-18-3-1-17(2-4-18)21-9-10-22(29-21)23-26-13-16-28(23)20-7-5-19(6-8-20)27-14-11-25-12-15-27/h1-10,13,16,25H,11-12,14-15H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EPHB4 (unknown origin)


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50045370
PNG
(CHEMBL3314140)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H21ClN4O/c24-18-3-1-17(2-4-18)21-9-10-22(29-21)23-26-13-16-28(23)20-7-5-19(6-8-20)27-14-11-25-12-15-27/h1-10,13,16,25H,11-12,14-15H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin)


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50045370
PNG
(CHEMBL3314140)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H21ClN4O/c24-18-3-1-17(2-4-18)21-9-10-22(29-21)23-26-13-16-28(23)20-7-5-19(6-8-20)27-14-11-25-12-15-27/h1-10,13,16,25H,11-12,14-15H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of LCK (unknown origin)


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50045370
PNG
(CHEMBL3314140)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H21ClN4O/c24-18-3-1-17(2-4-18)21-9-10-22(29-21)23-26-13-16-28(23)20-7-5-19(6-8-20)27-14-11-25-12-15-27/h1-10,13,16,25H,11-12,14-15H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50045370
PNG
(CHEMBL3314140)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H21ClN4O/c24-18-3-1-17(2-4-18)21-9-10-22(29-21)23-26-13-16-28(23)20-7-5-19(6-8-20)27-14-11-25-12-15-27/h1-10,13,16,25H,11-12,14-15H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PKCA (unknown origin)


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50045370
PNG
(CHEMBL3314140)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H21ClN4O/c24-18-3-1-17(2-4-18)21-9-10-22(29-21)23-26-13-16-28(23)20-7-5-19(6-8-20)27-14-11-25-12-15-27/h1-10,13,16,25H,11-12,14-15H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CHK1 (unknown origin)


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50045370
PNG
(CHEMBL3314140)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H21ClN4O/c24-18-3-1-17(2-4-18)21-9-10-22(29-21)23-26-13-16-28(23)20-7-5-19(6-8-20)27-14-11-25-12-15-27/h1-10,13,16,25H,11-12,14-15H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PLK3 (unknown origin)


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50045370
PNG
(CHEMBL3314140)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H21ClN4O/c24-18-3-1-17(2-4-18)21-9-10-22(29-21)23-26-13-16-28(23)20-7-5-19(6-8-20)27-14-11-25-12-15-27/h1-10,13,16,25H,11-12,14-15H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of NEK2 (unknown origin)


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50045370
PNG
(CHEMBL3314140)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H21ClN4O/c24-18-3-1-17(2-4-18)21-9-10-22(29-21)23-26-13-16-28(23)20-7-5-19(6-8-20)27-14-11-25-12-15-27/h1-10,13,16,25H,11-12,14-15H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MST2


(Homo sapiens (Human))
BDBM50045370
PNG
(CHEMBL3314140)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H21ClN4O/c24-18-3-1-17(2-4-18)21-9-10-22(29-21)23-26-13-16-28(23)20-7-5-19(6-8-20)27-14-11-25-12-15-27/h1-10,13,16,25H,11-12,14-15H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MST2 (unknown origin)


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50045370
PNG
(CHEMBL3314140)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H21ClN4O/c24-18-3-1-17(2-4-18)21-9-10-22(29-21)23-26-13-16-28(23)20-7-5-19(6-8-20)27-14-11-25-12-15-27/h1-10,13,16,25H,11-12,14-15H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin)


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
CaM kinase IV


(Homo sapiens (Human))
BDBM50045370
PNG
(CHEMBL3314140)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H21ClN4O/c24-18-3-1-17(2-4-18)21-9-10-22(29-21)23-26-13-16-28(23)20-7-5-19(6-8-20)27-14-11-25-12-15-27/h1-10,13,16,25H,11-12,14-15H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CAMK4 (unknown origin)


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50045370
PNG
(CHEMBL3314140)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H21ClN4O/c24-18-3-1-17(2-4-18)21-9-10-22(29-21)23-26-13-16-28(23)20-7-5-19(6-8-20)27-14-11-25-12-15-27/h1-10,13,16,25H,11-12,14-15H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50045370
PNG
(CHEMBL3314140)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H21ClN4O/c24-18-3-1-17(2-4-18)21-9-10-22(29-21)23-26-13-16-28(23)20-7-5-19(6-8-20)27-14-11-25-12-15-27/h1-10,13,16,25H,11-12,14-15H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IKKB (unknown origin)


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50045370
PNG
(CHEMBL3314140)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H21ClN4O/c24-18-3-1-17(2-4-18)21-9-10-22(29-21)23-26-13-16-28(23)20-7-5-19(6-8-20)27-14-11-25-12-15-27/h1-10,13,16,25H,11-12,14-15H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of RSK2 (unknown origin)


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
Testis-specific serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50045370
PNG
(CHEMBL3314140)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H21ClN4O/c24-18-3-1-17(2-4-18)21-9-10-22(29-21)23-26-13-16-28(23)20-7-5-19(6-8-20)27-14-11-25-12-15-27/h1-10,13,16,25H,11-12,14-15H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of TSSK2 (unknown origin)


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50045370
PNG
(CHEMBL3314140)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H21ClN4O/c24-18-3-1-17(2-4-18)21-9-10-22(29-21)23-26-13-16-28(23)20-7-5-19(6-8-20)27-14-11-25-12-15-27/h1-10,13,16,25H,11-12,14-15H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ERK2 (unknown origin)


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50045370
PNG
(CHEMBL3314140)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H21ClN4O/c24-18-3-1-17(2-4-18)21-9-10-22(29-21)23-26-13-16-28(23)20-7-5-19(6-8-20)27-14-11-25-12-15-27/h1-10,13,16,25H,11-12,14-15H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50045370
PNG
(CHEMBL3314140)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H21ClN4O/c24-18-3-1-17(2-4-18)21-9-10-22(29-21)23-26-13-16-28(23)20-7-5-19(6-8-20)27-14-11-25-12-15-27/h1-10,13,16,25H,11-12,14-15H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50045370
PNG
(CHEMBL3314140)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H21ClN4O/c24-18-3-1-17(2-4-18)21-9-10-22(29-21)23-26-13-16-28(23)20-7-5-19(6-8-20)27-14-11-25-12-15-27/h1-10,13,16,25H,11-12,14-15H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of GSK3B (unknown origin)


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50045370
PNG
(CHEMBL3314140)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)-c1nccn1-c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H21ClN4O/c24-18-3-1-17(2-4-18)21-9-10-22(29-21)23-26-13-16-28(23)20-7-5-19(6-8-20)27-14-11-25-12-15-27/h1-10,13,16,25H,11-12,14-15H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MET (unknown origin)


Bioorg Med Chem Lett 24: 3609-13 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.024
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%