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PubMed code 23602398

Compile data set for download or QSAR
Found 43 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))
BDBM50434486
PNG
(CHEMBL2385548)
Show SMILES O=C1N(Cc2ccccc2-c2cncnc2)c2ccc(cc2Cc2cc(oc12)-c1ccc(cc1)C#N)N1CCNCC1
Show InChI InChI=1S/C34H28N6O2/c35-18-23-5-7-24(8-6-23)32-17-27-15-26-16-29(39-13-11-36-12-14-39)9-10-31(26)40(34(41)33(27)42-32)21-25-3-1-2-4-30(25)28-19-37-22-38-20-28/h1-10,16-17,19-20,22,36H,11-15,21H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50434488
PNG
(CHEMBL2385549)
Show SMILES O=C1N(Cc2ccccc2-c2cncnc2)c2ccc(cc2Cc2cc(oc12)-c1ccc(cc1)C#N)C1CCNCC1
Show InChI InChI=1S/C35H29N5O2/c36-18-23-5-7-25(8-6-23)33-17-29-16-28-15-26(24-11-13-37-14-12-24)9-10-32(28)40(35(41)34(29)42-33)21-27-3-1-2-4-31(27)30-19-38-22-39-20-30/h1-10,15,17,19-20,22,24,37H,11-14,16,21H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50434494
PNG
(CHEMBL2385542)
Show SMILES COc1cncc(c1)-c1ccccc1CN1c2ccc(cc2Cc2cc(oc2C1=O)-c1ccc(cc1)C#N)N1CCNCC1
Show InChI InChI=1S/C36H31N5O3/c1-43-31-18-29(21-39-22-31)32-5-3-2-4-26(32)23-41-33-11-10-30(40-14-12-38-13-15-40)17-27(33)16-28-19-34(44-35(28)36(41)42)25-8-6-24(20-37)7-9-25/h2-11,17-19,21-22,38H,12-16,23H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50434490
PNG
(CHEMBL2385546)
Show SMILES COc1ccncc1-c1ccccc1CN1c2ccc(cc2Cc2cc(oc2C1=O)-c1ccc(cc1)C#N)N1CCNCC1
Show InChI InChI=1S/C36H31N5O3/c1-43-33-12-13-39-22-31(33)30-5-3-2-4-26(30)23-41-32-11-10-29(40-16-14-38-15-17-40)19-27(32)18-28-20-34(44-35(28)36(41)42)25-8-6-24(21-37)7-9-25/h2-13,19-20,22,38H,14-18,23H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50434491
PNG
(CHEMBL2385545)
Show SMILES COc1ncccc1-c1ccccc1CN1c2ccc(cc2Cc2cc(oc2C1=O)-c1ccc(cc1)C#N)N1CCNCC1
Show InChI InChI=1S/C36H31N5O3/c1-43-35-31(7-4-14-39-35)30-6-3-2-5-26(30)23-41-32-13-12-29(40-17-15-38-16-18-40)20-27(32)19-28-21-33(44-34(28)36(41)42)25-10-8-24(22-37)9-11-25/h2-14,20-21,38H,15-19,23H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50434487
PNG
(CHEMBL2385550)
Show SMILES FC1(F)c2cc(oc2C(=O)N(Cc2ccccc2-c2cncnc2)c2ccc(cc12)C1CCNCC1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C35H27F2N5O2/c36-35(37)29-15-25(23-11-13-39-14-12-23)9-10-31(29)42(20-26-3-1-2-4-28(26)27-18-40-21-41-19-27)34(43)33-30(35)16-32(44-33)24-7-5-22(17-38)6-8-24/h1-10,15-16,18-19,21,23,39H,11-14,20H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50434504
PNG
(CHEMBL2385532)
Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(CC=C)C(=O)c2o1)N1CCNCC1
Show InChI InChI=1S/C25H24ClN3O2/c1-2-11-29-22-8-7-21(28-12-9-27-10-13-28)15-18(22)14-19-16-23(31-24(19)25(29)30)17-3-5-20(26)6-4-17/h2-8,15-16,27H,1,9-14H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50434496
PNG
(CHEMBL2385540)
Show SMILES Fc1cncc(c1)-c1ccccc1CN1c2ccc(cc2Cc2cc(oc2C1=O)-c1ccc(cc1)C#N)N1CCNCC1
Show InChI InChI=1S/C35H28FN5O2/c36-29-16-28(20-39-21-29)31-4-2-1-3-25(31)22-41-32-10-9-30(40-13-11-38-12-14-40)17-26(32)15-27-18-33(43-34(27)35(41)42)24-7-5-23(19-37)6-8-24/h1-10,16-18,20-21,38H,11-15,22H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50434499
PNG
(CHEMBL2385537)
Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3NC(=O)c2o1)C1CCNCC1
Show InChI InChI=1S/C23H21ClN2O2/c24-19-4-1-15(2-5-19)21-13-18-12-17-11-16(14-7-9-25-10-8-14)3-6-20(17)26-23(27)22(18)28-21/h1-6,11,13-14,25H,7-10,12H2,(H,26,27)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50434495
PNG
(CHEMBL2385541)
Show SMILES COc1cc(ccn1)-c1ccccc1CN1c2ccc(cc2Cc2cc(oc2C1=O)-c1ccc(Cl)cc1)N1CCNCC1
Show InChI InChI=1S/C35H31ClN4O3/c1-42-33-21-24(12-13-38-33)30-5-3-2-4-25(30)22-40-31-11-10-29(39-16-14-37-15-17-39)19-26(31)18-27-20-32(43-34(27)35(40)41)23-6-8-28(36)9-7-23/h2-13,19-21,37H,14-18,22H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50434492
PNG
(CHEMBL2385544)
Show SMILES O=C1N(Cc2ccccc2-c2cccnc2)c2ccc(cc2Cc2cc(oc12)-c1ccc(cc1)C#N)N1CCNCC1
Show InChI InChI=1S/C35H29N5O2/c36-21-24-7-9-25(10-8-24)33-20-29-18-28-19-30(39-16-14-37-15-17-39)11-12-32(28)40(35(41)34(29)42-33)23-27-4-1-2-6-31(27)26-5-3-13-38-22-26/h1-13,19-20,22,37H,14-18,23H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50434485
PNG
(CHEMBL2385543)
Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3-c3cccnc3)C(=O)c2o1)N1CCNCC1
Show InChI InChI=1S/C34H29ClN4O2/c35-28-9-7-23(8-10-28)32-20-27-18-26-19-29(38-16-14-36-15-17-38)11-12-31(26)39(34(40)33(27)41-32)22-25-4-1-2-6-30(25)24-5-3-13-37-21-24/h1-13,19-21,36H,14-18,22H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50434498
PNG
(CHEMBL2385538)
Show SMILES O=C1Nc2ccc(cc2Cc2cc(oc12)-c1ccc(cc1)C#N)C1CCNCC1
Show InChI InChI=1S/C24H21N3O2/c25-14-15-1-3-17(4-2-15)22-13-20-12-19-11-18(16-7-9-26-10-8-16)5-6-21(19)27-24(28)23(20)29-22/h1-6,11,13,16,26H,7-10,12H2,(H,27,28)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50434493
PNG
(CHEMBL2385085)
Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3-c3ccncc3)C(=O)c2o1)N1CCNCC1
Show InChI InChI=1S/C34H29ClN4O2/c35-28-7-5-24(6-8-28)32-21-27-19-26-20-29(38-17-15-37-16-18-38)9-10-31(26)39(34(40)33(27)41-32)22-25-3-1-2-4-30(25)23-11-13-36-14-12-23/h1-14,20-21,37H,15-19,22H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50434500
PNG
(CHEMBL2385536)
Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3Br)C(=O)c2o1)N1CCNCC1
Show InChI InChI=1S/C29H25BrClN3O2/c30-25-4-2-1-3-20(25)18-34-26-10-9-24(33-13-11-32-12-14-33)16-21(26)15-22-17-27(36-28(22)29(34)35)19-5-7-23(31)8-6-19/h1-10,16-17,32H,11-15,18H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50434501
PNG
(CHEMBL2385535)
Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccn3)C(=O)c2o1)N1CCNCC1
Show InChI InChI=1S/C28H25ClN4O2/c29-22-6-4-19(5-7-22)26-17-21-15-20-16-24(32-13-11-30-12-14-32)8-9-25(20)33(28(34)27(21)35-26)18-23-3-1-2-10-31-23/h1-10,16-17,30H,11-15,18H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50434497
PNG
(CHEMBL2385539)
Show SMILES Fc1cccc(c1)-c1ccccc1CN1c2ccc(cc2Cc2cc(oc2C1=O)-c1ccc(cc1)C#N)N1CCNCC1
Show InChI InChI=1S/C36H29FN4O2/c37-30-6-3-5-26(19-30)32-7-2-1-4-27(32)23-41-33-13-12-31(40-16-14-39-15-17-40)20-28(33)18-29-21-34(43-35(29)36(41)42)25-10-8-24(22-38)9-11-25/h1-13,19-21,39H,14-18,23H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50434505
PNG
(CHEMBL2385531)
Show SMILES CN1c2ccc(cc2Cc2cc(oc2C1=O)-c1ccc(Cl)cc1)N1CCNCC1
Show InChI InChI=1S/C23H22ClN3O2/c1-26-20-7-6-19(27-10-8-25-9-11-27)13-16(20)12-17-14-21(29-22(17)23(26)28)15-2-4-18(24)5-3-15/h2-7,13-14,25H,8-12H2,1H3
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n/an/a 79n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362170
PNG
(CHEMBL1938682)
Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3NC(=O)c2o1)N1CCNCC1
Show InChI InChI=1S/C22H20ClN3O2/c23-17-3-1-14(2-4-17)20-13-16-11-15-12-18(26-9-7-24-8-10-26)5-6-19(15)25-22(27)21(16)28-20/h1-6,12-13,24H,7-11H2,(H,25,27)
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n/an/a 96n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50434502
PNG
(CHEMBL2385534)
Show SMILES FC(F)CN1c2ccc(cc2Cc2cc(oc2C1=O)-c1ccc(Cl)cc1)N1CCNCC1
Show InChI InChI=1S/C24H22ClF2N3O2/c25-18-3-1-15(2-4-18)21-13-17-11-16-12-19(29-9-7-28-8-10-29)5-6-20(16)30(14-22(26)27)24(31)23(17)32-21/h1-6,12-13,22,28H,7-11,14H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50434503
PNG
(CHEMBL2385533)
Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(CC3CC3)C(=O)c2o1)N1CCNCC1
Show InChI InChI=1S/C26H26ClN3O2/c27-21-5-3-18(4-6-21)24-15-20-13-19-14-22(29-11-9-28-10-12-29)7-8-23(19)30(16-17-1-2-17)26(31)25(20)32-24/h3-8,14-15,17,28H,1-2,9-13,16H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362171
PNG
(CHEMBL1938683)
Show SMILES O=C1Nc2ccc(cc2Cc2cc(oc12)-c1ccc(cc1)C#N)N1CCNCC1
Show InChI InChI=1S/C23H20N4O2/c24-14-15-1-3-16(4-2-15)21-13-18-11-17-12-19(27-9-7-25-8-10-27)5-6-20(17)26-23(28)22(18)29-21/h1-6,12-13,25H,7-11H2,(H,26,28)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50380305
PNG
(CHEMBL2017459)
Show SMILES CCN(C(=O)c1ccc(o1)-c1ccc(Cl)cc1)c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C23H24ClN3O2/c1-2-27(20-9-7-19(8-10-20)26-15-13-25-14-16-26)23(28)22-12-11-21(29-22)17-3-5-18(24)6-4-17/h3-12,25H,2,13-16H2,1H3
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n/an/a 130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50380304
PNG
(CHEMBL2017458)
Show SMILES CN(C(=O)c1ccc(o1)-c1ccc(Cl)cc1)c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C22H22ClN3O2/c1-25(18-6-8-19(9-7-18)26-14-12-24-13-15-26)22(27)21-11-10-20(28-21)16-2-4-17(23)5-3-16/h2-11,24H,12-15H2,1H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50362169
PNG
(CHEMBL1938680)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)Nc1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C21H20ClN3O2/c22-16-3-1-15(2-4-16)19-9-10-20(27-19)21(26)24-17-5-7-18(8-6-17)25-13-11-23-12-14-25/h1-10,23H,11-14H2,(H,24,26)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 (unknown origin) phosphorylation using TAMRA labeled peptide as substrate incubated 30 mins before substrate addition measured afte...


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50434485
PNG
(CHEMBL2385543)
Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3-c3cccnc3)C(=O)c2o1)N1CCNCC1
Show InChI InChI=1S/C34H29ClN4O2/c35-28-9-7-23(8-10-28)32-20-27-18-26-19-29(38-16-14-36-15-17-38)11-12-31(26)39(34(40)33(27)41-32)22-25-4-1-2-6-30(25)24-5-3-13-37-21-24/h1-13,19-21,36H,14-18,22H2
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n/an/a 1.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MST2


(Homo sapiens (Human))
BDBM50434485
PNG
(CHEMBL2385543)
Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3-c3cccnc3)C(=O)c2o1)N1CCNCC1
Show InChI InChI=1S/C34H29ClN4O2/c35-28-9-7-23(8-10-28)32-20-27-18-26-19-29(38-16-14-36-15-17-38)11-12-31(26)39(34(40)33(27)41-32)22-25-4-1-2-6-30(25)24-5-3-13-37-21-24/h1-13,19-21,36H,14-18,22H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MST2 (unknown origin)


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM50434485
PNG
(CHEMBL2385543)
Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3-c3cccnc3)C(=O)c2o1)N1CCNCC1
Show InChI InChI=1S/C34H29ClN4O2/c35-28-9-7-23(8-10-28)32-20-27-18-26-19-29(38-16-14-36-15-17-38)11-12-31(26)39(34(40)33(27)41-32)22-25-4-1-2-6-30(25)24-5-3-13-37-21-24/h1-13,19-21,36H,14-18,22H2
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n/an/a 1.30E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of NEK2 (unknown origin)


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50434485
PNG
(CHEMBL2385543)
Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3-c3cccnc3)C(=O)c2o1)N1CCNCC1
Show InChI InChI=1S/C34H29ClN4O2/c35-28-9-7-23(8-10-28)32-20-27-18-26-19-29(38-16-14-36-15-17-38)11-12-31(26)39(34(40)33(27)41-32)22-25-4-1-2-6-30(25)24-5-3-13-37-21-24/h1-13,19-21,36H,14-18,22H2
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n/an/a 1.60E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of AKT1 (unknown origin)


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50434485
PNG
(CHEMBL2385543)
Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3-c3cccnc3)C(=O)c2o1)N1CCNCC1
Show InChI InChI=1S/C34H29ClN4O2/c35-28-9-7-23(8-10-28)32-20-27-18-26-19-29(38-16-14-36-15-17-38)11-12-31(26)39(34(40)33(27)41-32)22-25-4-1-2-6-30(25)24-5-3-13-37-21-24/h1-13,19-21,36H,14-18,22H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CHK1 (unknown origin)


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50434485
PNG
(CHEMBL2385543)
Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3-c3cccnc3)C(=O)c2o1)N1CCNCC1
Show InChI InChI=1S/C34H29ClN4O2/c35-28-9-7-23(8-10-28)32-20-27-18-26-19-29(38-16-14-36-15-17-38)11-12-31(26)39(34(40)33(27)41-32)22-25-4-1-2-6-30(25)24-5-3-13-37-21-24/h1-13,19-21,36H,14-18,22H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin)


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50434485
PNG
(CHEMBL2385543)
Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3-c3cccnc3)C(=O)c2o1)N1CCNCC1
Show InChI InChI=1S/C34H29ClN4O2/c35-28-9-7-23(8-10-28)32-20-27-18-26-19-29(38-16-14-36-15-17-38)11-12-31(26)39(34(40)33(27)41-32)22-25-4-1-2-6-30(25)24-5-3-13-37-21-24/h1-13,19-21,36H,14-18,22H2
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n/an/a 2.40E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IKKB (unknown origin)


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50434485
PNG
(CHEMBL2385543)
Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3-c3cccnc3)C(=O)c2o1)N1CCNCC1
Show InChI InChI=1S/C34H29ClN4O2/c35-28-9-7-23(8-10-28)32-20-27-18-26-19-29(38-16-14-36-15-17-38)11-12-31(26)39(34(40)33(27)41-32)22-25-4-1-2-6-30(25)24-5-3-13-37-21-24/h1-13,19-21,36H,14-18,22H2
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n/an/a 2.60E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
CaM kinase IV


(Homo sapiens (Human))
BDBM50434485
PNG
(CHEMBL2385543)
Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3-c3cccnc3)C(=O)c2o1)N1CCNCC1
Show InChI InChI=1S/C34H29ClN4O2/c35-28-9-7-23(8-10-28)32-20-27-18-26-19-29(38-16-14-36-15-17-38)11-12-31(26)39(34(40)33(27)41-32)22-25-4-1-2-6-30(25)24-5-3-13-37-21-24/h1-13,19-21,36H,14-18,22H2
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n/an/a 2.70E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CAMK4 (unknown origin)


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50434485
PNG
(CHEMBL2385543)
Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3-c3cccnc3)C(=O)c2o1)N1CCNCC1
Show InChI InChI=1S/C34H29ClN4O2/c35-28-9-7-23(8-10-28)32-20-27-18-26-19-29(38-16-14-36-15-17-38)11-12-31(26)39(34(40)33(27)41-32)22-25-4-1-2-6-30(25)24-5-3-13-37-21-24/h1-13,19-21,36H,14-18,22H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50434485
PNG
(CHEMBL2385543)
Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3-c3cccnc3)C(=O)c2o1)N1CCNCC1
Show InChI InChI=1S/C34H29ClN4O2/c35-28-9-7-23(8-10-28)32-20-27-18-26-19-29(38-16-14-36-15-17-38)11-12-31(26)39(34(40)33(27)41-32)22-25-4-1-2-6-30(25)24-5-3-13-37-21-24/h1-13,19-21,36H,14-18,22H2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin)


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50434485
PNG
(CHEMBL2385543)
Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3-c3cccnc3)C(=O)c2o1)N1CCNCC1
Show InChI InChI=1S/C34H29ClN4O2/c35-28-9-7-23(8-10-28)32-20-27-18-26-19-29(38-16-14-36-15-17-38)11-12-31(26)39(34(40)33(27)41-32)22-25-4-1-2-6-30(25)24-5-3-13-37-21-24/h1-13,19-21,36H,14-18,22H2
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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 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
Testis-specific serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50434485
PNG
(CHEMBL2385543)
Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3-c3cccnc3)C(=O)c2o1)N1CCNCC1
Show InChI InChI=1S/C34H29ClN4O2/c35-28-9-7-23(8-10-28)32-20-27-18-26-19-29(38-16-14-36-15-17-38)11-12-31(26)39(34(40)33(27)41-32)22-25-4-1-2-6-30(25)24-5-3-13-37-21-24/h1-13,19-21,36H,14-18,22H2
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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 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50434485
PNG
(CHEMBL2385543)
Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3-c3cccnc3)C(=O)c2o1)N1CCNCC1
Show InChI InChI=1S/C34H29ClN4O2/c35-28-9-7-23(8-10-28)32-20-27-18-26-19-29(38-16-14-36-15-17-38)11-12-31(26)39(34(40)33(27)41-32)22-25-4-1-2-6-30(25)24-5-3-13-37-21-24/h1-13,19-21,36H,14-18,22H2
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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 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50434485
PNG
(CHEMBL2385543)
Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3-c3cccnc3)C(=O)c2o1)N1CCNCC1
Show InChI InChI=1S/C34H29ClN4O2/c35-28-9-7-23(8-10-28)32-20-27-18-26-19-29(38-16-14-36-15-17-38)11-12-31(26)39(34(40)33(27)41-32)22-25-4-1-2-6-30(25)24-5-3-13-37-21-24/h1-13,19-21,36H,14-18,22H2
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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 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50434485
PNG
(CHEMBL2385543)
Show SMILES Clc1ccc(cc1)-c1cc2Cc3cc(ccc3N(Cc3ccccc3-c3cccnc3)C(=O)c2o1)N1CCNCC1
Show InChI InChI=1S/C34H29ClN4O2/c35-28-9-7-23(8-10-28)32-20-27-18-26-19-29(38-16-14-36-15-17-38)11-12-31(26)39(34(40)33(27)41-32)22-25-4-1-2-6-30(25)24-5-3-13-37-21-24/h1-13,19-21,36H,14-18,22H2
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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 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50434486
PNG
(CHEMBL2385548)
Show SMILES O=C1N(Cc2ccccc2-c2cncnc2)c2ccc(cc2Cc2cc(oc12)-c1ccc(cc1)C#N)N1CCNCC1
Show InChI InChI=1S/C34H28N6O2/c35-18-23-5-7-24(8-6-23)32-17-27-15-26-16-29(39-13-11-36-12-14-39)9-10-31(26)40(34(41)33(27)42-32)21-25-3-1-2-4-30(25)28-19-37-22-38-20-28/h1-10,16-17,19-20,22,36H,11-15,21H2
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n/an/an/an/a 138n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 in human THP1 cells assessed as phosphorylation of HSP27 at serine78 after 60 mins


Bioorg Med Chem Lett 23: 3262-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.109
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%