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Compile Data Set for Download or QSAR

Found 151 hits Enz. Inhib. hit(s) with Target = 'MAP/microtubule affinity-regulating kinase 2'   
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/microtubule affinity-regulating kinase 2


(Homo sapiens)
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
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)


Article DOI: 10.1021/jm960225d
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
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
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)


Article DOI: 10.1021/jm960225d
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
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
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)


Article DOI: 10.1021/jm960225d
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
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
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)


Article DOI: 10.1021/jm960225d
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
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
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)


Article DOI: 10.1021/jm960225d
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
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
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)


Article DOI: 10.1021/jm960225d
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
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
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)


Article DOI: 10.1021/jm960225d
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
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
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)


Article DOI: 10.1021/jm960225d
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
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
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)


Article DOI: 10.1021/jm960225d
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
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
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)


Article DOI: 10.1021/jm960225d
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
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
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)


Article DOI: 10.1021/jm960225d
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
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
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)


Article DOI: 10.1021/jm960225d
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
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
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)


Article DOI: 10.1021/jm960225d
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
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
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
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
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
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
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
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
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
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
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
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
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
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
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
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
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
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
BDBM50402020
PNG
(CHEMBL2205426)
Show SMILES CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
Show InChI InChI=1S/C23H22N6O2/c1-23(2,3)29-19-18(20(30)21(19)31)27-17-10-13-25-22(28-17)26-16-6-4-14(5-7-16)15-8-11-24-12-9-15/h4-13,29H,1-3H3,(H2,25,26,27,28)
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3.61E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant EMK after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP


Bioorg Med Chem Lett 22: 7615-22 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.009
BindingDB Entry DOI: 10.7270/Q2XK8GQ3
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
BDBM50224883
PNG
(7-chloro-3-oxo-8-[(thiazol-5-ylmethyl)-amino]-11,1...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Show InChI InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29)
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4.27E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EMK


Bioorg Med Chem Lett 17: 6593-601 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.063
BindingDB Entry DOI: 10.7270/Q2X067WT
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
BDBM25118
PNG
((3Z)-4-amino-5-fluoro-3-[5-(4-methylpiperazino)-1,...)
Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
Show InChI InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29)
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n/an/an/a 1.50E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2W37TQQ
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
BDBM6866
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)
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n/an/an/a 1.20E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2W37TQQ
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
BDBM31094
PNG
(PKC-412 | cid_24202429)
Show SMILES CO[C@H]1[C@H](C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m0/s1
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n/an/an/a 1.00E+5n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2W37TQQ
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
BDBM31095
PNG
(5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-yli...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
Show InChI InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1
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n/an/an/a 4.40E+5n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2W37TQQ
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
BDBM31096
PNG
(CHEMBL290084 | Staurosporine | cid_451705)
Show SMILES CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
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+/m0/s1
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n/an/an/a 700n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2W37TQQ
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/an/a 3.10E+5n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2W37TQQ
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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n/an/an/a 1.40E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2W37TQQ
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
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
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/an/a 0.100n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Average Binding Constant for MARK2; NA=Not Active at 10 uM


Nat Biotechnol 23: 329-36 (2005)


Article DOI: 10.1038/nbt1068
BindingDB Entry DOI: 10.7270/Q2V69J3T
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
BDBM50024294
PNG
(SP-600125)
Show SMILES Oc1c2cccc3N=Nc(c23)c2ccccc12
Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7,17H
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n/an/an/a 1.80E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Average Binding Constant for MARK2; NA=Not Active at 10 uM


Nat Biotechnol 23: 329-36 (2005)


Article DOI: 10.1038/nbt1068
BindingDB Entry DOI: 10.7270/Q2V69J3T
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
BDBM50308060
PNG
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)
Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
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n/an/an/a 14n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to MARK2


Blood 114: 2984-92 (2009)


Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
BDBM50326053
PNG
(CHEMBL608533 | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1
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n/an/an/a 100n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to MARK2


Blood 114: 2984-92 (2009)


Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
BDBM50026612
PNG
(BIBF-1120 | NINTEDANIB | Nintedanib | Vargatef)
Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-
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n/an/an/a 1.40E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for MARK2 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
BDBM50308060
PNG
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)
Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
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n/an/an/a 14n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for MARK2 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
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
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/an/a 0.700n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for MARK2 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
BDBM50326053
PNG
(CHEMBL608533 | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1
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n/an/an/a 100n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for MARK2 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
BDBM50326053
PNG
(CHEMBL608533 | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1
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n/an/an/a 1n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for MARK2 kinase domain


Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
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
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/an/a 0.700n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for MARK2 kinase domain


Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/an/a 320n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Average Binding Constant for MARK2; NA=Not Active at 10 uM


Nat Biotechnol 23: 329-36 (2005)


Article DOI: 10.1038/nbt1068
BindingDB Entry DOI: 10.7270/Q2V69J3T
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
BDBM17055
PNG
((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21
Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1
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n/an/an/a 2.30E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Average Binding Constant for MARK2; NA=Not Active at 10 uM


Nat Biotechnol 23: 329-36 (2005)


Article DOI: 10.1038/nbt1068
BindingDB Entry DOI: 10.7270/Q2V69J3T
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to MARK2


Blood 114: 2984-92 (2009)


Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
BDBM50300690
PNG
(CHEMBL576982 | N-(5-tert-Butyl-isoxazol-3-yl)-N'-{...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to MARK2


Blood 114: 2984-92 (2009)


Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
BDBM13535
PNG
(4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin...)
Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
Show InChI InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to MARK2


Blood 114: 2984-92 (2009)


Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/an/a 310n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to MARK2


Blood 114: 2984-92 (2009)


Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
BDBM50326054
PNG
(CHEMBL1240703)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1S/C35H30N4O5/c1-35-31(43-3)23(37(2)34(42)18-11-5-4-6-12-18)17-24(44-35)38-21-15-9-7-13-19(21)25-27-28(33(41)36-32(27)40)26-20-14-8-10-16-22(20)39(35)30(26)29(25)38/h4-16,23-24,31,33,41H,17H2,1-3H3,(H,36,40)/t23-,24-,31-,33+,35+/m1/s1
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n/an/an/a 400n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to MARK2


Blood 114: 2984-92 (2009)


Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
BDBM25045
PNG
(3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin...)
Show SMILES Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Show InChI InChI=1S/C19H16N4O3/c24-13-4-1-3-12(11-13)17-21-15-14-5-2-6-20-19(14)26-16(15)18(22-17)23-7-9-25-10-8-23/h1-6,11,24H,7-10H2
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for MARK2 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
BDBM17055
PNG
((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21
Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for MARK2 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 2


(Homo sapiens)
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for MARK2 kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
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