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Compile Data Set for Download or QSAR

Found 26 hits of ic50 data for polymerid = 50003021   
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
Serine/threonine-protein kinase MARK2


(Homo sapiens (Human))		BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 0.133n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human MARK2 using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay

Eur J Med Chem 161: 456-467 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.052
BindingDB Entry DOI: 10.7270/Q2W380MT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MARK2


(Homo sapiens (Human))		BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 0.148n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human MARK2 using KKKVSRSGLYRSPSMPENLNRPR as substrate by [gamma-33P]-ATP assay

Citation and Details

Article DOI: 10.1016/j.bmc.2018.02.022
BindingDB Entry DOI: 10.7270/Q2DJ5KB8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MARK2


(Homo sapiens (Human))		BDBM247036
PNG
((1R,3aR, 6S,7R,7aS)- 5,5-difluoro- 7-((E)-2-(5- (3...)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3C)[C@H]12)C(N)=O |r|
Show InChI InChI=1S/C25H25F3N2O3/c1-13-18(5-4-6-20(13)26)16-7-8-17(30-11-16)9-10-19-14(2)25(27,28)12-24(22(29)31)21(19)15(3)33-23(24)32/h4-11,14-15,19,21H,12H2,1-3H3,(H2,29,31)/b10-9+/t14-,15+,19-,21-,24+/m0/s1
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n/an/a 1.37n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay measures the potency of the inventive compounds as PAR-1 receptor antagonists.Frozen HEK 293 Cells were plated in 384-well PDL coated plat...

US Patent US9701669 (2017)


BindingDB Entry DOI: 10.7270/Q2PC34DS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MARK2


(Homo sapiens (Human))		BDBM247038
PNG
(2-((1R,3aR, 6S,7R,7aS)-5,5- difluoro-7- ((E)-2-(5-...)
Show SMILES C[C@H]1OC(=O)[C@]2(CC(N)=O)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12 |r|
Show InChI InChI=1S/C25H25F3N2O3/c1-14-20(9-8-19-7-6-17(12-30-19)16-4-3-5-18(26)10-16)22-15(2)33-23(32)24(22,11-21(29)31)13-25(14,27)28/h3-10,12,14-15,20,22H,11,13H2,1-2H3,(H2,29,31)/b9-8+/t14-,15+,20-,22-,24+/m0/s1
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n/an/a 2.62n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay measures the potency of the inventive compounds as PAR-1 receptor antagonists.Frozen HEK 293 Cells were plated in 384-well PDL coated plat...

US Patent US9701669 (2017)


BindingDB Entry DOI: 10.7270/Q2PC34DS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MARK2


(Homo sapiens (Human))		BDBM247035
PNG
((1R,3aR,6S,7R, 7aS)-5,5-difluoro- 7-((E)-2-(5- (2-...)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(C)c3F)[C@H]12)C(N)=O |r|
Show InChI InChI=1S/C25H25F3N2O3/c1-13-5-4-6-19(21(13)26)16-7-8-17(30-11-16)9-10-18-14(2)25(27,28)12-24(22(29)31)20(18)15(3)33-23(24)32/h4-11,14-15,18,20H,12H2,1-3H3,(H2,29,31)/b10-9+/t14-,15+,18-,20-,24+/m0/s1
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n/an/a 3.80n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay measures the potency of the inventive compounds as PAR-1 receptor antagonists.Frozen HEK 293 Cells were plated in 384-well PDL coated plat...

US Patent US9701669 (2017)


BindingDB Entry DOI: 10.7270/Q2PC34DS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MARK2


(Homo sapiens (Human))		BDBM247039
PNG
(2-((1R,3aR, 6S,7R,7aS)-7- ((E)-2-(5-(2- cyanopheny...)
Show SMILES CC(C(N)=O)[C@@]12CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@@H]1[C@@H](C)OC2=O |r|
Show InChI InChI=1S/C27H27F2N3O3/c1-15-21(11-10-20-9-8-19(13-32-20)22-7-5-4-6-18(22)12-30)23-17(3)35-25(34)26(23,14-27(15,28)29)16(2)24(31)33/h4-11,13,15-17,21,23H,14H2,1-3H3,(H2,31,33)/b11-10+/t15-,16?,17+,21-,23-,26-/m0/s1
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n/an/a 4.07n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay measures the potency of the inventive compounds as PAR-1 receptor antagonists.Frozen HEK 293 Cells were plated in 384-well PDL coated plat...

US Patent US9701669 (2017)


BindingDB Entry DOI: 10.7270/Q2PC34DS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MARK2


(Homo sapiens (Human))		BDBM247047
PNG
((S and R)-2- ((1R,3aR,6S, 7R,7aS)-7- ((E)-2-(5-(2-...)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@H]12)C(O)C(N)=O |r|
Show InChI InChI=1S/C26H25F2N3O4/c1-14-19(10-9-18-8-7-17(12-31-18)20-6-4-3-5-16(20)11-29)21-15(2)35-24(34)25(21,13-26(14,27)28)22(32)23(30)33/h3-10,12,14-15,19,21-22,32H,13H2,1-2H3,(H2,30,33)/b10-9+/t14-,15+,19-,21-,22?,25+/m0/s1
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n/an/a 4.41n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay measures the potency of the inventive compounds as PAR-1 receptor antagonists.Frozen HEK 293 Cells were plated in 384-well PDL coated plat...

US Patent US9701669 (2017)


BindingDB Entry DOI: 10.7270/Q2PC34DS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MARK2


(Homo sapiens (Human))		BDBM247039
PNG
(2-((1R,3aR, 6S,7R,7aS)-7- ((E)-2-(5-(2- cyanopheny...)
Show SMILES CC(C(N)=O)[C@@]12CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@@H]1[C@@H](C)OC2=O |r|
Show InChI InChI=1S/C27H27F2N3O3/c1-15-21(11-10-20-9-8-19(13-32-20)22-7-5-4-6-18(22)12-30)23-17(3)35-25(34)26(23,14-27(15,28)29)16(2)24(31)33/h4-11,13,15-17,21,23H,14H2,1-3H3,(H2,31,33)/b11-10+/t15-,16?,17+,21-,23-,26-/m0/s1
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n/an/a 4.43n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay measures the potency of the inventive compounds as PAR-1 receptor antagonists.Frozen HEK 293 Cells were plated in 384-well PDL coated plat...

US Patent US9701669 (2017)


BindingDB Entry DOI: 10.7270/Q2PC34DS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MARK2


(Homo sapiens (Human))		BDBM247044
PNG
(3-((1R,3aR,6S, 7R,7aS)-7 -((E)- 2- (2'-cyano-[...)
Show SMILES C[C@H]1OC(=O)[C@]2(CCC(N)=O)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccnc3C#N)[C@H]12 |r|
Show InChI InChI=1S/C26H26F2N4O3/c1-15-19(8-7-18-6-5-17(13-32-18)20-4-3-11-31-21(20)12-29)23-16(2)35-24(34)25(23,10-9-22(30)33)14-26(15,27)28/h3-8,11,13,15-16,19,23H,9-10,14H2,1-2H3,(H2,30,33)/b8-7+/t15-,16+,19-,23-,25+/m0/s1
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n/an/a 6.34n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay measures the potency of the inventive compounds as PAR-1 receptor antagonists.Frozen HEK 293 Cells were plated in 384-well PDL coated plat...

US Patent US9701669 (2017)


BindingDB Entry DOI: 10.7270/Q2PC34DS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MARK2


(Homo sapiens (Human))		BDBM247037
PNG
((1R,3aR,6S,7R, 7aS)-7-((E)-2-(5- (2-cyanophenyl)- ...)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(c(C)n3)-c3ccccc3C#N)[C@H]12)C(N)=O |r|
Show InChI InChI=1S/C26H25F2N3O3/c1-14-19(22-16(3)34-24(33)25(22,23(30)32)13-26(14,27)28)10-8-18-9-11-20(15(2)31-18)21-7-5-4-6-17(21)12-29/h4-11,14,16,19,22H,13H2,1-3H3,(H2,30,32)/b10-8+/t14-,16+,19-,22-,25+/m0/s1
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n/an/a 6.92n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay measures the potency of the inventive compounds as PAR-1 receptor antagonists.Frozen HEK 293 Cells were plated in 384-well PDL coated plat...

US Patent US9701669 (2017)


BindingDB Entry DOI: 10.7270/Q2PC34DS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MARK2


(Homo sapiens (Human))		BDBM247042
PNG
(1R,3aR,6S, 7R,7aS)-7-((E)-2- (2'-cyano-[3,3...)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccnc3C#N)[C@H]12)C(N)=O |r|
Show InChI InChI=1S/C24H22F2N4O3/c1-13-17(20-14(2)33-22(32)23(20,21(28)31)12-24(13,25)26)8-7-16-6-5-15(11-30-16)18-4-3-9-29-19(18)10-27/h3-9,11,13-14,17,20H,12H2,1-2H3,(H2,28,31)/b8-7+/t13-,14+,17-,20-,23+/m0/s1
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n/an/a 9.68n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay measures the potency of the inventive compounds as PAR-1 receptor antagonists.Frozen HEK 293 Cells were plated in 384-well PDL coated plat...

US Patent US9701669 (2017)


BindingDB Entry DOI: 10.7270/Q2PC34DS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MARK2


(Homo sapiens (Human))		BDBM247039
PNG
(2-((1R,3aR, 6S,7R,7aS)-7- ((E)-2-(5-(2- cyanopheny...)
Show SMILES CC(C(N)=O)[C@@]12CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3ccccc3C#N)[C@@H]1[C@@H](C)OC2=O |r|
Show InChI InChI=1S/C27H27F2N3O3/c1-15-21(11-10-20-9-8-19(13-32-20)22-7-5-4-6-18(22)12-30)23-17(3)35-25(34)26(23,14-27(15,28)29)16(2)24(31)33/h4-11,13,15-17,21,23H,14H2,1-3H3,(H2,31,33)/b11-10+/t15-,16?,17+,21-,23-,26-/m0/s1
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n/an/a 11.3n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay measures the potency of the inventive compounds as PAR-1 receptor antagonists.Frozen HEK 293 Cells were plated in 384-well PDL coated plat...

US Patent US9701669 (2017)


BindingDB Entry DOI: 10.7270/Q2PC34DS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MARK2


(Homo sapiens (Human))		BDBM247043
PNG
(1-((1R,3aS,6S, 7R,7aS)-5,5- difluoro-7- ((E)-2-(5-...)
Show SMILES C[C@H]1OC(=O)[C@@]2(CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccc(F)c3)[C@H]12)N1CC(C1)C(N)=O |r|
Show InChI InChI=1S/C27H28F3N3O3/c1-15-22(9-8-21-7-6-18(11-32-21)17-4-3-5-20(28)10-17)23-16(2)36-25(35)26(23,14-27(15,29)30)33-12-19(13-33)24(31)34/h3-11,15-16,19,22-23H,12-14H2,1-2H3,(H2,31,34)/b9-8+/t15-,16+,22-,23-,26-/m0/s1
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n/an/a 13.9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay measures the potency of the inventive compounds as PAR-1 receptor antagonists.Frozen HEK 293 Cells were plated in 384-well PDL coated plat...

US Patent US9701669 (2017)


BindingDB Entry DOI: 10.7270/Q2PC34DS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MARK2


(Homo sapiens (Human))		BDBM247046
PNG
(2-((1R,3aR,6S, 7R,7aS)-7-((E)- 2- (2'-cyano-[3...)
Show SMILES C[C@H]1OC(=O)[C@]2(CC(N)=O)CC(F)(F)[C@@H](C)[C@H](\C=C\c3ccc(cn3)-c3cccnc3C#N)[C@H]12 |r|
Show InChI InChI=1S/C25H24F2N4O3/c1-14-18(22-15(2)34-23(33)24(22,10-21(29)32)13-25(14,26)27)8-7-17-6-5-16(12-31-17)19-4-3-9-30-20(19)11-28/h3-9,12,14-15,18,22H,10,13H2,1-2H3,(H2,29,32)/b8-7+/t14-,15+,18-,22-,24+/m0/s1
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n/an/a 21.2n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay measures the potency of the inventive compounds as PAR-1 receptor antagonists.Frozen HEK 293 Cells were plated in 384-well PDL coated plat...

US Patent US9701669 (2017)


BindingDB Entry DOI: 10.7270/Q2PC34DS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MARK2


(Homo sapiens (Human))		BDBM247045
PNG
(2-((1R,3aR,6S, 7R,7aS)-5,5- difluoro-7- ((E)-2-(2&...)
Show SMILES COc1ncccc1-c1ccc(\C=C\[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@]3(CC(N)=O)CC(F)(F)[C@H]2C)nc1 |r|
Show InChI InChI=1S/C25H27F2N3O4/c1-14-18(21-15(2)34-23(32)24(21,11-20(28)31)13-25(14,26)27)9-8-17-7-6-16(12-30-17)19-5-4-10-29-22(19)33-3/h4-10,12,14-15,18,21H,11,13H2,1-3H3,(H2,28,31)/b9-8+/t14-,15+,18-,21-,24+/m0/s1
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n/an/a 104n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
This assay measures the potency of the inventive compounds as PAR-1 receptor antagonists.Frozen HEK 293 Cells were plated in 384-well PDL coated plat...

US Patent US9701669 (2017)


BindingDB Entry DOI: 10.7270/Q2PC34DS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MARK2


(Homo sapiens (Human))		BDBM50462709
PNG
(CHEMBL4245507)
Show SMILES O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
Show InChI InChI=1S/C23H27N5O2S/c29-22(27-23-26-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-14-2-11-28-12-9-25-10-13-28/h1,3-8,15,17,25H,2,9-14,16H2,(H,26,27,29)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of PAR-1B (unknown origin)

Bioorg Med Chem Lett 28: 2616-2621 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.043
BindingDB Entry DOI: 10.7270/Q2XP77MH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MARK2


(Homo sapiens (Human))		BDBM50204693
PNG
(3-(4'-hydroxy-biphenyl-4-yl)-1,4-dihydro-indeno[1,...)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(ccc-21)C(=O)NCc1ccncc1
Show InChI InChI=1S/C29H22N4O2/c34-24-8-5-20(6-9-24)19-1-3-21(4-2-19)27-26-16-23-15-22(7-10-25(23)28(26)33-32-27)29(35)31-17-18-11-13-30-14-12-18/h1-15,34H,16-17H2,(H,31,35)(H,32,33)
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n/an/a 4.59E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EMK by radiometric assay

Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MARK2


(Homo sapiens (Human))		BDBM50135286
PNG
(CHEMBL3745885)
Show SMILES Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C22H15F2N5O3S/c1-29-20-13(9-19(21(29)30)33(31,32)18-5-2-14(23)10-16(18)24)11-26-22(28-20)27-15-3-4-17-12(8-15)6-7-25-17/h2-11,25H,1H3,(H,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human MARK2 using [KKKVSRSGLYRSPSMPENLNRPR] as substrate

Bioorg Med Chem 24: 521-44 (2016)


Article DOI: 10.1016/j.bmc.2015.11.045
BindingDB Entry DOI: 10.7270/Q24Q7WT8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MARK2


(Homo sapiens (Human))		BDBM50218709
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H35N5O4/c1-34(2,33(41)36-24-7-9-25(10-8-24)39-14-16-43-17-15-39)23-6-13-28-30(20-23)38-32(40)26-11-4-21(18-29(26)37-28)22-5-12-27(35)31(19-22)42-3/h4-13,18-20,37H,14-17,35H2,1-3H3,(H,36,41)(H,38,40)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant EMK by radiometric assay

J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
BindingDB Entry DOI: 10.7270/Q22J6BKS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MARK2


(Homo sapiens (Human))		BDBM50519662
PNG
(CHEMBL4438748)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
Show InChI InChI=1S/C26H23N3O5/c1-29(2)20-8-6-17(7-9-20)26(32)28-19-5-3-4-18(14-19)27-25(31)16-34-21-10-11-22-23(30)12-13-33-24(22)15-21/h3-15H,16H2,1-2H3,(H,27,31)(H,28,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length human PAR1Balpha using KKKVSRSGLYRSP as substrate measured after 40 mins in presence of [gamma33P]ATP by radiom...

J Med Chem 62: 10691-10710 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01143
BindingDB Entry DOI: 10.7270/Q2MC93FG
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MARK2


(Homo sapiens (Human))		BDBM50401152
PNG
(CHEMBL2205766)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
Show InChI InChI=1S/C15H18N6O2S/c1-15(2,3)20-24(22,23)12-6-11(8-17-9-12)10-4-5-21-13(7-10)18-14(16)19-21/h4-9,20H,1-3H3,(H2,16,19)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of MARK2

Bioorg Med Chem Lett 22: 4613-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.090
BindingDB Entry DOI: 10.7270/Q2HQ412B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MARK2


(Homo sapiens (Human))		BDBM50218700
PNG
(2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydr...)
Show SMILES COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CC(=O)Nc4ccc(cc4)N4CCOCC4)cc3NC2=O)c1
Show InChI InChI=1S/C32H31N5O4/c1-40-30-19-22(4-10-26(30)33)21-3-9-25-28(18-21)35-27-11-2-20(16-29(27)36-32(25)39)17-31(38)34-23-5-7-24(8-6-23)37-12-14-41-15-13-37/h2-11,16,18-19,35H,12-15,17,33H2,1H3,(H,34,38)(H,36,39)
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n/an/a 1.39E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant EMK by radiometric assay

J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
BindingDB Entry DOI: 10.7270/Q22J6BKS
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MARK2


(Homo sapiens (Human))		BDBM50359359
PNG
(CHEMBL1929238)
Show SMILES CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
Show InChI InChI=1S/C25H33Cl2N5O3S/c1-25(2,3)19-15-16(22(36-19)29-24(35)28-18-8-6-7-17(26)21(18)27)23(34)32-10-9-20(33)31(13-14-32)12-11-30(4)5/h6-8,15H,9-14H2,1-5H3,(H2,28,29,35)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of MARK2/PAR-1Balpha

Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MARK2


(Homo sapiens (Human))		BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/a 4.30E+4n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of MARK2/PAR-1Balpha

Bioorg Med Chem Lett 21: 7155-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.078
BindingDB Entry DOI: 10.7270/Q2NC61NH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MARK2


(Homo sapiens (Human))		BDBM50204694
PNG
(3-(4'-HYDROXYBIPHENYL-4-YL)-N-(4-HYDROXYCYCLOHEXYL...)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1 |wU:4.7,wD:1.0,(19.77,-1.9,;21.02,-1.01,;22.42,-1.66,;23.69,-.77,;23.53,.76,;22.14,1.41,;20.89,.52,;24.79,1.65,;26.19,1.01,;26.33,-.53,;27.44,1.9,;27.3,3.44,;28.55,4.33,;29.95,3.7,;30.1,2.15,;31.61,1.81,;32.4,3.14,;33.83,3.77,;33.68,5.31,;32.16,5.65,;31.37,4.31,;35.16,2.99,;35.15,1.44,;36.46,.66,;37.81,1.42,;37.82,2.96,;36.49,3.74,;39.13,.64,;39.12,-.9,;40.44,-1.67,;41.78,-.91,;43.11,-1.69,;41.78,.63,;40.46,1.4,;28.85,1.26,)|
Show InChI InChI=1S/C29H27N3O3/c33-23-10-5-18(6-11-23)17-1-3-19(4-2-17)27-26-16-21-15-20(7-14-25(21)28(26)32-31-27)29(35)30-22-8-12-24(34)13-9-22/h1-7,10-11,14-15,22,24,33-34H,8-9,12-13,16H2,(H,30,35)(H,31,32)/t22-,24-
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n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EMK by radiometric assay

Bioorg Med Chem 15: 2759-67 (2007)


Article DOI: 10.1016/j.bmc.2007.01.012
BindingDB Entry DOI: 10.7270/Q2XS5V22
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MARK2


(Homo sapiens (Human))		BDBM50537742
PNG
(CHEMBL4634634 | US11179389, Compound 1-14)
Show SMILES C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
Show InChI InChI=1S/C19H23N7O/c1-12-6-15(12)19(27)26-5-4-25(10-13(26)2)17-9-21-16(7-20)18(23-17)14-8-22-24(3)11-14/h8-9,11-13,15H,4-6,10H2,1-3H3/t12-,13-,15-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human GST-tagged MARK2 expressed in baculovirus expression system using serine/threonine-21 peptide as substrat...

Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126715
BindingDB Entry DOI: 10.7270/Q2HM5CZG
More data for this
Ligand-Target Pair