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Compile Data Set for Download or QSAR

Found 178 hits of ec50 data for polymerid = 3678   
Target
(Institution)
LigandTarget
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))
BDBM50360553
PNG
(CHEMBL1933189)
Show SMILES O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNC1)CNC2=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H23N5O2/c32-24(19-6-5-16-3-1-2-4-17(16)11-19)31-22-12-18(7-9-28-22)21-13-20-23(30-21)26(8-10-27-14-26)15-29-25(20)33/h1-7,9,11-13,27,30H,8,10,14-15H2,(H,29,33)(H,28,31,32)
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n/an/an/an/a 0.620n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50360554
PNG
(CHEMBL1933188)
Show SMILES Cc1ccc(cc1C)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNC1)CNC2=O
Show InChI InChI=1S/C24H25N5O2/c1-14-3-4-17(9-15(14)2)22(30)29-20-10-16(5-7-26-20)19-11-18-21(28-19)24(6-8-25-12-24)13-27-23(18)31/h3-5,7,9-11,25,28H,6,8,12-13H2,1-2H3,(H,27,31)(H,26,29,30)
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n/an/an/an/a 0.710n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50360547
PNG
(CHEMBL1933164)
Show SMILES O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H25N5O2/c33-25(20-6-5-17-3-1-2-4-18(17)13-20)32-23-14-19(7-10-29-23)22-15-21-24(31-22)27(16-30-26(21)34)8-11-28-12-9-27/h1-7,10,13-15,28,31H,8-9,11-12,16H2,(H,30,34)(H,29,32,33)
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n/an/an/an/a 0.720n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50360575
PNG
(CHEMBL1933166)
Show SMILES O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O)c1cccc2ccccc12
Show InChI InChI=1S/C27H25N5O2/c33-25-21-15-22(31-24(21)27(16-30-25)9-12-28-13-10-27)18-8-11-29-23(14-18)32-26(34)20-7-3-5-17-4-1-2-6-19(17)20/h1-8,11,14-15,28,31H,9-10,12-13,16H2,(H,30,33)(H,29,32,34)
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n/an/an/an/a 0.960n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50360548
PNG
(CHEMBL1933162)
Show SMILES Cc1ccc(cc1C)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
Show InChI InChI=1S/C25H27N5O2/c1-15-3-4-18(11-16(15)2)23(31)30-21-12-17(5-8-27-21)20-13-19-22(29-20)25(14-28-24(19)32)6-9-26-10-7-25/h3-5,8,11-13,26,29H,6-7,9-10,14H2,1-2H3,(H,28,32)(H,27,30,31)
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n/an/an/an/a 1n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50360571
PNG
(CHEMBL1933171)
Show SMILES Fc1cccc(c1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
Show InChI InChI=1S/C23H22FN5O2/c24-16-3-1-2-15(10-16)21(30)29-19-11-14(4-7-26-19)18-12-17-20(28-18)23(13-27-22(17)31)5-8-25-9-6-23/h1-4,7,10-12,25,28H,5-6,8-9,13H2,(H,27,31)(H,26,29,30)
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n/an/an/an/a 1.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50344725
PNG
(2'-(2-(pyridin-3-yl)pyrimidin-4-yl)-5',6'-dihydros...)
Show SMILES O=C1NCC2(CCNCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1cccnc1
Show InChI InChI=1S/C20H20N6O/c27-19-14-10-16(25-17(14)20(12-24-19)4-8-21-9-5-20)15-3-7-23-18(26-15)13-2-1-6-22-11-13/h1-3,6-7,10-11,21,25H,4-5,8-9,12H2,(H,24,27)
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n/an/an/an/a 1.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50360552
PNG
(CHEMBL1933190)
Show SMILES Fc1ccc(cc1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNC1)CNC2=O
Show InChI InChI=1S/C22H20FN5O2/c23-15-3-1-13(2-4-15)20(29)28-18-9-14(5-7-25-18)17-10-16-19(27-17)22(6-8-24-11-22)12-26-21(16)30/h1-5,7,9-10,24,27H,6,8,11-12H2,(H,26,30)(H,25,28,29)
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n/an/an/an/a 1.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50360566
PNG
(CHEMBL1933176)
Show SMILES O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O)c1ccccn1
Show InChI InChI=1S/C22H22N6O2/c29-20-15-12-17(27-19(15)22(13-26-20)5-9-23-10-6-22)14-4-8-25-18(11-14)28-21(30)16-3-1-2-7-24-16/h1-4,7-8,11-12,23,27H,5-6,9-10,13H2,(H,26,29)(H,25,28,30)
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n/an/an/an/a 1.40n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50360569
PNG
(CHEMBL1933173)
Show SMILES FC(F)(F)Oc1cccc(c1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
Show InChI InChI=1S/C24H22F3N5O3/c25-24(26,27)35-16-3-1-2-15(10-16)21(33)32-19-11-14(4-7-29-19)18-12-17-20(31-18)23(13-30-22(17)34)5-8-28-9-6-23/h1-4,7,10-12,28,31H,5-6,8-9,13H2,(H,30,34)(H,29,32,33)
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n/an/an/an/a 1.5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50360567
PNG
(CHEMBL1933175)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
Show InChI InChI=1S/C24H22F3N5O2/c25-24(26,27)16-3-1-14(2-4-16)21(33)32-19-11-15(5-8-29-19)18-12-17-20(31-18)23(13-30-22(17)34)6-9-28-10-7-23/h1-5,8,11-12,28,31H,6-7,9-10,13H2,(H,30,34)(H,29,32,33)
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n/an/an/an/a 1.60n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50360574
PNG
(CHEMBL1933168)
Show SMILES Fc1ccc(cc1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
Show InChI InChI=1S/C23H22FN5O2/c24-16-3-1-14(2-4-16)21(30)29-19-11-15(5-8-26-19)18-12-17-20(28-18)23(13-27-22(17)31)6-9-25-10-7-23/h1-5,8,11-12,25,28H,6-7,9-10,13H2,(H,27,31)(H,26,29,30)
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n/an/an/an/a 1.60n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50360550
PNG
(CHEMBL1933192)
Show SMILES FC(F)(F)Oc1cccc(c1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNC1)CNC2=O
Show InChI InChI=1S/C23H20F3N5O3/c24-23(25,26)34-15-3-1-2-14(8-15)20(32)31-18-9-13(4-6-28-18)17-10-16-19(30-17)22(5-7-27-11-22)12-29-21(16)33/h1-4,6,8-10,27,30H,5,7,11-12H2,(H,29,33)(H,28,31,32)
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n/an/an/an/a 1.60n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50344730
PNG
(2'-(2'-(cyclopentylamino)-2,5'-bipyrimidin-4-yl)-5...)
Show SMILES O=C1NCC2(CCNCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1cnc(NC2CCCC2)nc1
Show InChI InChI=1S/C24H28N8O/c33-22-17-11-19(31-20(17)24(14-29-22)6-9-25-10-7-24)18-5-8-26-21(32-18)15-12-27-23(28-13-15)30-16-3-1-2-4-16/h5,8,11-13,16,25,31H,1-4,6-7,9-10,14H2,(H,29,33)(H,27,28,30)
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n/an/an/an/a 1.70n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50360551
PNG
(CHEMBL1933191)
Show SMILES Fc1cccc(c1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNC1)CNC2=O
Show InChI InChI=1S/C22H20FN5O2/c23-15-3-1-2-14(8-15)20(29)28-18-9-13(4-6-25-18)17-10-16-19(27-17)22(5-7-24-11-22)12-26-21(16)30/h1-4,6,8-10,24,27H,5,7,11-12H2,(H,26,30)(H,25,28,29)
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n/an/an/an/a 1.90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50344729
PNG
(2'-(2'-amino-2,5'-bipyrimidin-4-yl)-5',6'-dihydros...)
Show SMILES Nc1ncc(cn1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
Show InChI InChI=1S/C19H20N8O/c20-18-23-8-11(9-24-18)16-22-4-1-13(27-16)14-7-12-15(26-14)19(10-25-17(12)28)2-5-21-6-3-19/h1,4,7-9,21,26H,2-3,5-6,10H2,(H,25,28)(H2,20,23,24)
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n/an/an/an/a 2.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50360573
PNG
(CHEMBL1933169)
Show SMILES CN1CCC2(CC1)CNC(=O)c1cc([nH]c21)-c1ccnc(NC(=O)c2ccc(C)c(C)c2)c1
Show InChI InChI=1S/C26H29N5O2/c1-16-4-5-19(12-17(16)2)24(32)30-22-13-18(6-9-27-22)21-14-20-23(29-21)26(15-28-25(20)33)7-10-31(3)11-8-26/h4-6,9,12-14,29H,7-8,10-11,15H2,1-3H3,(H,28,33)(H,27,30,32)
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n/an/an/an/a 2.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50360561
PNG
(CHEMBL1933181)
Show SMILES Fc1ccc(cc1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O
Show InChI InChI=1S/C23H22FN5O2/c24-16-4-2-14(3-5-16)21(30)29-19-10-15(6-9-26-19)18-11-17-20(28-18)23(13-27-22(17)31)7-1-8-25-12-23/h2-6,9-11,25,28H,1,7-8,12-13H2,(H,27,31)(H,26,29,30)
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n/an/an/an/a 2.40n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50360556
PNG
(CHEMBL1933186)
Show SMILES Fc1cc(F)cc(c1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O
Show InChI InChI=1S/C23H21F2N5O2/c24-15-6-14(7-16(25)9-15)21(31)30-19-8-13(2-5-27-19)18-10-17-20(29-18)23(12-28-22(17)32)3-1-4-26-11-23/h2,5-10,26,29H,1,3-4,11-12H2,(H,28,32)(H,27,30,31)
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n/an/an/an/a 2.5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50360563
PNG
(CHEMBL1933179)
Show SMILES O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H25N5O2/c33-25(20-7-6-17-4-1-2-5-18(17)12-20)32-23-13-19(8-11-29-23)22-14-21-24(31-22)27(16-30-26(21)34)9-3-10-28-15-27/h1-2,4-8,11-14,28,31H,3,9-10,15-16H2,(H,30,34)(H,29,32,33)
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n/an/an/an/a 2.5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50360570
PNG
(CHEMBL1933172)
Show SMILES CN1CCC2(CC1)CNC(=O)c1cc([nH]c21)-c1ccnc(NC(=O)c2cccc(F)c2)c1
Show InChI InChI=1S/C24H24FN5O2/c1-30-9-6-24(7-10-30)14-27-23(32)18-13-19(28-21(18)24)15-5-8-26-20(12-15)29-22(31)16-3-2-4-17(25)11-16/h2-5,8,11-13,28H,6-7,9-10,14H2,1H3,(H,27,32)(H,26,29,31)
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n/an/an/an/a 2.5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50360572
PNG
(CHEMBL1933170)
Show SMILES CN1CCC2(CC1)CNC(=O)c1cc([nH]c21)-c1ccnc(NC(=O)c2ccc3ccccc3c2)c1
Show InChI InChI=1S/C28H27N5O2/c1-33-12-9-28(10-13-33)17-30-27(35)22-16-23(31-25(22)28)20-8-11-29-24(15-20)32-26(34)21-7-6-18-4-2-3-5-19(18)14-21/h2-8,11,14-16,31H,9-10,12-13,17H2,1H3,(H,30,35)(H,29,32,34)
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n/an/an/an/a 2.60n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50360565
PNG
(CHEMBL1933177)
Show SMILES O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O)c1ccncc1
Show InChI InChI=1S/C22H22N6O2/c29-20(14-1-6-23-7-2-14)28-18-11-15(3-8-25-18)17-12-16-19(27-17)22(13-26-21(16)30)4-9-24-10-5-22/h1-3,6-8,11-12,24,27H,4-5,9-10,13H2,(H,26,30)(H,25,28,29)
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n/an/an/an/a 2.60n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50360568
PNG
(CHEMBL1933174)
Show SMILES CN1CCC2(CC1)CNC(=O)c1cc([nH]c21)-c1ccnc(NC(=O)c2cccc(OC(F)(F)F)c2)c1
Show InChI InChI=1S/C25H24F3N5O3/c1-33-9-6-24(7-10-33)14-30-23(35)18-13-19(31-21(18)24)15-5-8-29-20(12-15)32-22(34)16-3-2-4-17(11-16)36-25(26,27)28/h2-5,8,11-13,31H,6-7,9-10,14H2,1H3,(H,30,35)(H,29,32,34)
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n/an/an/an/a 2.70n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50360576
PNG
(CHEMBL1933161)
Show SMILES Cc1ccc(cc1C)C(=O)Nc1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
Show InChI InChI=1S/C24H26N6O2/c1-14-3-4-16(11-15(14)2)21(31)30-23-26-8-5-18(29-23)19-12-17-20(28-19)24(13-27-22(17)32)6-9-25-10-7-24/h3-5,8,11-12,25,28H,6-7,9-10,13H2,1-2H3,(H,27,32)(H,26,29,30,31)
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n/an/an/an/a 3.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50360555
PNG
(CHEMBL1933187)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O
Show InChI InChI=1S/C24H22F3N5O2/c25-24(26,27)16-4-1-3-15(9-16)21(33)32-19-10-14(5-8-29-19)18-11-17-20(31-18)23(13-30-22(17)34)6-2-7-28-12-23/h1,3-5,8-11,28,31H,2,6-7,12-13H2,(H,30,34)(H,29,32,33)
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n/an/an/an/a 3.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50344728
PNG
(CHEMBL1779365 | N-(5-(4-(4'-oxo-1',4',5',6'-tetrah...)
Show SMILES CCC(=O)Nc1ccc(cn1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
Show InChI InChI=1S/C23H25N7O2/c1-2-19(31)30-18-4-3-14(12-26-18)21-25-8-5-16(29-21)17-11-15-20(28-17)23(13-27-22(15)32)6-9-24-10-7-23/h3-5,8,11-12,24,28H,2,6-7,9-10,13H2,1H3,(H,27,32)(H,26,30,31)
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n/an/an/an/a 3.60n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50344696
PNG
(2'-(2-(benzo[d][1,3]dioxol-5-yl)pyrimidin-4-yl)-5'...)
Show SMILES O=C1NCC2(CCNCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C22H21N5O3/c28-21-14-10-16(26-19(14)22(11-25-21)4-7-23-8-5-22)15-3-6-24-20(27-15)13-1-2-17-18(9-13)30-12-29-17/h1-3,6,9-10,23,26H,4-5,7-8,11-12H2,(H,25,28)
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n/an/an/an/a 4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50360549
PNG
(CHEMBL1933193)
Show SMILES O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNC1)CNC2=O)c1ccccn1
Show InChI InChI=1S/C21H20N6O2/c28-19-14-10-16(26-18(14)21(12-25-19)5-8-22-11-21)13-4-7-24-17(9-13)27-20(29)15-3-1-2-6-23-15/h1-4,6-7,9-10,22,26H,5,8,11-12H2,(H,25,28)(H,24,27,29)
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n/an/an/an/a 4.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50360557
PNG
(CHEMBL1933185)
Show SMILES O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O)c1ccccn1
Show InChI InChI=1S/C22H22N6O2/c29-20-15-11-17(27-19(15)22(13-26-20)6-3-7-23-12-22)14-5-9-25-18(10-14)28-21(30)16-4-1-2-8-24-16/h1-2,4-5,8-11,23,27H,3,6-7,12-13H2,(H,26,29)(H,25,28,30)
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n/an/an/an/a 4.20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50344696
PNG
(2'-(2-(benzo[d][1,3]dioxol-5-yl)pyrimidin-4-yl)-5'...)
Show SMILES O=C1NCC2(CCNCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C22H21N5O3/c28-21-14-10-16(26-19(14)22(11-25-21)4-7-23-8-5-22)15-3-6-24-20(27-15)13-1-2-17-18(9-13)30-12-29-17/h1-3,6,9-10,23,26H,4-5,7-8,11-12H2,(H,25,28)
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n/an/an/an/a 4.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50344696
PNG
(2'-(2-(benzo[d][1,3]dioxol-5-yl)pyrimidin-4-yl)-5'...)
Show SMILES O=C1NCC2(CCNCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C22H21N5O3/c28-21-14-10-16(26-19(14)22(11-25-21)4-7-23-8-5-22)15-3-6-24-20(27-15)13-1-2-17-18(9-13)30-12-29-17/h1-3,6,9-10,23,26H,4-5,7-8,11-12H2,(H,25,28)
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n/an/an/an/a 4.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50344723
PNG
(2'-(2-(3,5-dichlorophenyl)pyrimidin-4-yl)-5',6'-di...)
Show SMILES Clc1cc(Cl)cc(c1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
Show InChI InChI=1S/C21H19Cl2N5O/c22-13-7-12(8-14(23)9-13)19-25-4-1-16(28-19)17-10-15-18(27-17)21(11-26-20(15)29)2-5-24-6-3-21/h1,4,7-10,24,27H,2-3,5-6,11H2,(H,26,29)
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n/an/an/an/a 4.5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50344722
PNG
(2'-(2-(naphthalen-2-yl)pyrimidin-4-yl)-5',6'-dihyd...)
Show SMILES O=C1NCC2(CCNCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C25H23N5O/c31-24-19-14-21(29-22(19)25(15-28-24)8-11-26-12-9-25)20-7-10-27-23(30-20)18-6-5-16-3-1-2-4-17(16)13-18/h1-7,10,13-14,26,29H,8-9,11-12,15H2,(H,28,31)
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n/an/an/an/a 5.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50360579
PNG
(CHEMBL1933163)
Show SMILES O=C(Nc1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H24N6O2/c33-23(18-6-5-16-3-1-2-4-17(16)13-18)32-25-28-10-7-20(31-25)21-14-19-22(30-21)26(15-29-24(19)34)8-11-27-12-9-26/h1-7,10,13-14,27,30H,8-9,11-12,15H2,(H,29,34)(H,28,31,32,33)
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n/an/an/an/a 5.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50360562
PNG
(CHEMBL1933180)
Show SMILES O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O)c1cccc2ccccc12
Show InChI InChI=1S/C27H25N5O2/c33-25-21-14-22(31-24(21)27(16-30-25)10-4-11-28-15-27)18-9-12-29-23(13-18)32-26(34)20-8-3-6-17-5-1-2-7-19(17)20/h1-3,5-9,12-14,28,31H,4,10-11,15-16H2,(H,30,33)(H,29,32,34)
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n/an/an/an/a 5.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50360564
PNG
(CHEMBL1933178)
Show SMILES Cc1ccc(cc1C)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O
Show InChI InChI=1S/C25H27N5O2/c1-15-4-5-18(10-16(15)2)23(31)30-21-11-17(6-9-27-21)20-12-19-22(29-20)25(14-28-24(19)32)7-3-8-26-13-25/h4-6,9-12,26,29H,3,7-8,13-14H2,1-2H3,(H,28,32)(H,27,30,31)
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n/an/an/an/a 5.5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50344697
PNG
(2'-(2-(benzofuran-2-yl)pyrimidin-4-yl)-5',6'-dihyd...)
Show SMILES O=C1NCC2(CCNCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1cc2ccccc2o1
Show InChI InChI=1S/C23H21N5O2/c29-22-15-12-17(27-20(15)23(13-26-22)6-9-24-10-7-23)16-5-8-25-21(28-16)19-11-14-3-1-2-4-18(14)30-19/h1-5,8,11-12,24,27H,6-7,9-10,13H2,(H,26,29)
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n/an/an/an/a 5.90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50344724
PNG
(2'-(2-(quinolin-3-yl)pyrimidin-4-yl)-5',6'-dihydro...)
Show SMILES O=C1NCC2(CCNCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C24H22N6O/c31-23-17-12-20(29-21(17)24(14-28-23)6-9-25-10-7-24)19-5-8-26-22(30-19)16-11-15-3-1-2-4-18(15)27-13-16/h1-5,8,11-13,25,29H,6-7,9-10,14H2,(H,28,31)
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n/an/an/an/a 6n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50360560
PNG
(CHEMBL1933182)
Show SMILES Fc1cccc(c1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O
Show InChI InChI=1S/C23H22FN5O2/c24-16-4-1-3-15(9-16)21(30)29-19-10-14(5-8-26-19)18-11-17-20(28-18)23(13-27-22(17)31)6-2-7-25-12-23/h1,3-5,8-11,25,28H,2,6-7,12-13H2,(H,27,31)(H,26,29,30)
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n/an/an/an/a 6.20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50344721
PNG
(2'-(2-(4-tert-butylphenyl)pyrimidin-4-yl)-5',6'-di...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
Show InChI InChI=1S/C25H29N5O/c1-24(2,3)17-6-4-16(5-7-17)22-27-11-8-19(30-22)20-14-18-21(29-20)25(15-28-23(18)31)9-12-26-13-10-25/h4-8,11,14,26,29H,9-10,12-13,15H2,1-3H3,(H,28,31)
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n/an/an/an/a 6.20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50344724
PNG
(2'-(2-(quinolin-3-yl)pyrimidin-4-yl)-5',6'-dihydro...)
Show SMILES O=C1NCC2(CCNCC2)c2[nH]c(cc12)-c1ccnc(n1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C24H22N6O/c31-23-17-12-20(29-21(17)24(14-28-23)6-9-25-10-7-24)19-5-8-26-22(30-19)16-11-15-3-1-2-4-18(15)27-13-16/h1-5,8,11-13,25,29H,6-7,9-10,14H2,(H,28,31)
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n/an/an/an/a 6.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50344710
PNG
((S)-2'-(2-(pyridin-3-yl)pyrimidin-4-yl)-5',6'-dihy...)
Show SMILES O=C1NC[C@@]2(CCCNC2)c2[nH]c(cc12)-c1ccnc(n1)-c1cccnc1
Show InChI InChI=1S/C20H20N6O/c27-19-14-9-16(25-17(14)20(12-24-19)5-2-7-22-11-20)15-4-8-23-18(26-15)13-3-1-6-21-10-13/h1,3-4,6,8-10,22,25H,2,5,7,11-12H2,(H,24,27)/t20-/m0/s1
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n/an/an/an/a 6.5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50344720
PNG
(2'-(2-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)-5...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
Show InChI InChI=1S/C22H20F3N5O/c23-22(24,25)14-3-1-13(2-4-14)19-27-8-5-16(30-19)17-11-15-18(29-17)21(12-28-20(15)31)6-9-26-10-7-21/h1-5,8,11,26,29H,6-7,9-10,12H2,(H,28,31)
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n/an/an/an/a 6.90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50344726
PNG
(2'-(2-(5-methoxypyridin-3-yl)pyrimidin-4-yl)-5',6'...)
Show SMILES COc1cncc(c1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
Show InChI InChI=1S/C21H22N6O2/c1-29-14-8-13(10-23-11-14)19-24-5-2-16(27-19)17-9-15-18(26-17)21(12-25-20(15)28)3-6-22-7-4-21/h2,5,8-11,22,26H,3-4,6-7,12H2,1H3,(H,25,28)
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n/an/an/an/a 6.90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50344707
PNG
((S)-2'-(2-(6-(3-methoxypropoxy)pyridin-3-yl)pyrimi...)
Show SMILES COCCCOc1ccc(cn1)-c1nccc(n1)-c1cc2c([nH]1)[C@]1(CCCNC1)CNC2=O
Show InChI InChI=1S/C24H28N6O3/c1-32-10-3-11-33-20-5-4-16(13-27-20)22-26-9-6-18(30-22)19-12-17-21(29-19)24(15-28-23(17)31)7-2-8-25-14-24/h4-6,9,12-13,25,29H,2-3,7-8,10-11,14-15H2,1H3,(H,28,31)/t24-/m0/s1
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n/an/an/an/a 6.90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50344703
PNG
((S)-2'-(2-(benzo[d][1,3]dioxol-5-yl)pyrimidin-4-yl...)
Show SMILES O=C1NC[C@@]2(CCCNC2)c2[nH]c(cc12)-c1ccnc(n1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C22H21N5O3/c28-21-14-9-16(26-19(14)22(11-25-21)5-1-6-23-10-22)15-4-7-24-20(27-15)13-2-3-17-18(8-13)30-12-29-17/h2-4,7-9,23,26H,1,5-6,10-12H2,(H,25,28)/t22-/m0/s1
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n/an/an/an/a 7.40n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50360563
PNG
(CHEMBL1933179)
Show SMILES O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C27H25N5O2/c33-25(20-7-6-17-4-1-2-5-18(17)12-20)32-23-13-19(8-11-29-23)22-14-21-24(31-22)27(16-30-26(21)34)9-3-10-28-15-27/h1-2,4-8,11-14,28,31H,3,9-10,15-16H2,(H,30,34)(H,29,32,33)
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n/an/an/an/a 7.60n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50360564
PNG
(CHEMBL1933178)
Show SMILES Cc1ccc(cc1C)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCCNC1)CNC2=O
Show InChI InChI=1S/C25H27N5O2/c1-15-4-5-18(10-16(15)2)23(31)30-21-11-17(6-9-27-21)20-12-19-22(29-20)25(14-28-24(19)32)7-3-8-26-13-25/h4-6,9-12,26,29H,3,7-8,13-14H2,1-2H3,(H,28,32)(H,27,30,31)
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n/an/an/an/a 8.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 using Fluo-betaA-11A NeoMPS as substrate pre-incubated for 30 mins before substrate addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50344718
PNG
(2'-(2-(3-fluorophenyl)pyrimidin-4-yl)-5',6'-dihydr...)
Show SMILES Fc1cccc(c1)-c1nccc(n1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
Show InChI InChI=1S/C21H20FN5O/c22-14-3-1-2-13(10-14)19-24-7-4-16(27-19)17-11-15-18(26-17)21(12-25-20(15)28)5-8-23-9-6-21/h1-4,7,10-11,23,26H,5-6,8-9,12H2,(H,25,28)
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n/an/an/an/a 8.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK2 pretreated for 30 mins before fluorescein labeled substrate peptide addition measured after 2 hrs by IMAP assay


Citation and Details
More data for this
Ligand-Target Pair
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