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Compile Data Set for Download or QSAR

Found 597 hits with Last Name = 'viklund' and Initial = 'j'   
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
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM50255582
PNG
(CHEMBL4078783)
Show SMILES CCNC(=O)c1cc2c(ccnc2[nH]1)N1CCOCC1c1ccccc1
Show InChI InChI=1S/C20H22N4O2/c1-2-21-20(25)16-12-15-17(8-9-22-19(15)23-16)24-10-11-26-13-18(24)14-6-4-3-5-7-14/h3-9,12,18H,2,10-11,13H2,1H3,(H,21,25)(H,22,23)
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n/an/a<0.100n/an/an/an/an/an/a



Sprint Bioscience AB

Curated by ChEMBL


Assay Description
Inhibition of human full length MTH1 using 8-Oxo-2-dGTP as substrate preincubated for 15 mins followed substrate addition measured after 1 hr by PPil...


J Med Chem 61: 2533-2551 (2018)


BindingDB Entry DOI: 10.7270/Q25D8V9Q
More data for this
Ligand-Target Pair
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM50255603
PNG
(CHEMBL4083992)
Show SMILES O=C(NC1COC1)c1cc2c(ccnc2[nH]1)N1CCCC1c1cccnc1
Show InChI InChI=1S/C20H21N5O2/c26-20(23-14-11-27-12-14)16-9-15-18(5-7-22-19(15)24-16)25-8-2-4-17(25)13-3-1-6-21-10-13/h1,3,5-7,9-10,14,17H,2,4,8,11-12H2,(H,22,24)(H,23,26)
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n/an/a 0.100n/an/an/an/an/an/a



Sprint Bioscience AB

Curated by ChEMBL


Assay Description
Inhibition of human full length MTH1 using 8-Oxo-2-dGTP as substrate preincubated for 15 mins followed substrate addition measured after 1 hr by PPil...


J Med Chem 61: 2533-2551 (2018)


BindingDB Entry DOI: 10.7270/Q25D8V9Q
More data for this
Ligand-Target Pair
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM50255566
PNG
(CHEMBL4094252)
Show SMILES O=C(NC1COC1)c1cc2c(ccnc2[nH]1)N1CCCC1c1ccccn1
Show InChI InChI=1S/C20H21N5O2/c26-20(23-13-11-27-12-13)16-10-14-17(6-8-22-19(14)24-16)25-9-3-5-18(25)15-4-1-2-7-21-15/h1-2,4,6-8,10,13,18H,3,5,9,11-12H2,(H,22,24)(H,23,26)
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n/an/a<0.100n/an/an/an/an/an/a



Sprint Bioscience AB

Curated by ChEMBL


Assay Description
Inhibition of human full length MTH1 using 8-Oxo-2-dGTP as substrate preincubated for 15 mins followed substrate addition measured after 1 hr by PPil...


J Med Chem 61: 2533-2551 (2018)


BindingDB Entry DOI: 10.7270/Q25D8V9Q
More data for this
Ligand-Target Pair
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM50255598
PNG
(CHEMBL4064004)
Show SMILES CCNC(=O)c1cc2c(ccnc2[nH]1)N1CCCC1c1cccnc1
Show InChI InChI=1S/C19H21N5O/c1-2-21-19(25)15-11-14-17(7-9-22-18(14)23-15)24-10-4-6-16(24)13-5-3-8-20-12-13/h3,5,7-9,11-12,16H,2,4,6,10H2,1H3,(H,21,25)(H,22,23)
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n/an/a<0.100n/an/an/an/an/an/a



Sprint Bioscience AB

Curated by ChEMBL


Assay Description
Inhibition of human full length MTH1 using 8-Oxo-2-dGTP as substrate preincubated for 15 mins followed substrate addition measured after 1 hr by PPil...


J Med Chem 61: 2533-2551 (2018)


BindingDB Entry DOI: 10.7270/Q25D8V9Q
More data for this
Ligand-Target Pair
7,8-dihydro-8-oxoguanine triphosphatase


(Homo sapiens (Human))
BDBM50255568
PNG
(CHEMBL4091768)
Show SMILES CCNC(=O)c1cc2c(ccnc2[nH]1)N1CCCC1c1ccccc1
Show InChI InChI=1S/C20H22N4O/c1-2-21-20(25)16-13-15-18(10-11-22-19(15)23-16)24-12-6-9-17(24)14-7-4-3-5-8-14/h3-5,7-8,10-11,13,17H,2,6,9,12H2,1H3,(H,21,25)(H,22,23)
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n/an/a<0.100n/an/an/an/an/an/a



Sprint Bioscience AB

Curated by ChEMBL


Assay Description
Inhibition of human full length MTH1 using 8-Oxo-2-dGTP as substrate preincubated for 15 mins followed substrate addition measured after 1 hr by PPil...


J Med Chem 61: 2533-2551 (2018)


BindingDB Entry DOI: 10.7270/Q25D8V9Q
More data for this
Ligand-Target Pair
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM50255621
PNG
(CHEMBL4070624)
Show SMILES CCNC(=O)c1cc2c(ccnc2[nH]1)N1CCOCC1C1CC1
Show InChI InChI=1S/C17H22N4O2/c1-2-18-17(22)13-9-12-14(5-6-19-16(12)20-13)21-7-8-23-10-15(21)11-3-4-11/h5-6,9,11,15H,2-4,7-8,10H2,1H3,(H,18,22)(H,19,20)
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n/an/a 0.100n/an/an/an/an/an/a



Sprint Bioscience AB

Curated by ChEMBL


Assay Description
Inhibition of human full length MTH1 using 8-Oxo-2-dGTP as substrate preincubated for 15 mins followed substrate addition measured after 1 hr by PPil...


J Med Chem 61: 2533-2551 (2018)


BindingDB Entry DOI: 10.7270/Q25D8V9Q
More data for this
Ligand-Target Pair
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM50255622
PNG
(CHEMBL4067896)
Show SMILES CCNC(=O)c1cc2c(ccnc2[nH]1)N1CCCC1C(C)(C)OC
Show InChI InChI=1S/C18H26N4O2/c1-5-19-17(23)13-11-12-14(8-9-20-16(12)21-13)22-10-6-7-15(22)18(2,3)24-4/h8-9,11,15H,5-7,10H2,1-4H3,(H,19,23)(H,20,21)
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n/an/a<0.100n/an/an/an/an/an/a



Sprint Bioscience AB

Curated by ChEMBL


Assay Description
Inhibition of human full length MTH1 using 8-Oxo-2-dGTP as substrate preincubated for 15 mins followed substrate addition measured after 1 hr by PPil...


J Med Chem 61: 2533-2551 (2018)


BindingDB Entry DOI: 10.7270/Q25D8V9Q
More data for this
Ligand-Target Pair
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM50255624
PNG
(CHEMBL4101983)
Show SMILES CCNC(=O)c1cc2c(ccnc2[nH]1)N1CCCC1c1ccccn1
Show InChI InChI=1S/C19H21N5O/c1-2-20-19(25)15-12-13-16(8-10-22-18(13)23-15)24-11-5-7-17(24)14-6-3-4-9-21-14/h3-4,6,8-10,12,17H,2,5,7,11H2,1H3,(H,20,25)(H,22,23)
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n/an/a<0.100n/an/an/an/an/an/a



Sprint Bioscience AB

Curated by ChEMBL


Assay Description
Inhibition of human full length MTH1 using 8-Oxo-2-dGTP as substrate preincubated for 15 mins followed substrate addition measured after 1 hr by PPil...


J Med Chem 61: 2533-2551 (2018)


BindingDB Entry DOI: 10.7270/Q25D8V9Q
More data for this
Ligand-Target Pair
7,8-dihydro-8-oxoguanine triphosphatase


(Homo sapiens (Human))
BDBM50255581
PNG
(CHEMBL4073623)
Show SMILES O=C(NC1CC1)c1cc2c(ccnc2[nH]1)N1CCCC1c1ccccn1
Show InChI InChI=1S/C20H21N5O/c26-20(23-13-6-7-13)16-12-14-17(8-10-22-19(14)24-16)25-11-3-5-18(25)15-4-1-2-9-21-15/h1-2,4,8-10,12-13,18H,3,5-7,11H2,(H,22,24)(H,23,26)
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n/an/a<0.100n/an/an/an/an/an/a



Sprint Bioscience AB

Curated by ChEMBL


Assay Description
Binding affinity to MTH1 in human K562 cells assessed as concentration required to achieve half of the maximal stabilization of protein at 54 degC af...


J Med Chem 61: 2533-2551 (2018)


BindingDB Entry DOI: 10.7270/Q25D8V9Q
More data for this
Ligand-Target Pair
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM50255583
PNG
(CHEMBL4096813)
Show SMILES CCNC(=O)c1cc2c(ccnc2[nH]1)N1CCOC[C@@H]1C
Show InChI InChI=1S/C15H20N4O2/c1-3-16-15(20)12-8-11-13(4-5-17-14(11)18-12)19-6-7-21-9-10(19)2/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,16,20)(H,17,18)/t10-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Sprint Bioscience AB

Curated by ChEMBL


Assay Description
Inhibition of human full length MTH1 using 8-Oxo-2-dGTP as substrate preincubated for 15 mins followed substrate addition measured after 1 hr by PPil...


J Med Chem 61: 2533-2551 (2018)


BindingDB Entry DOI: 10.7270/Q25D8V9Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM50255623
PNG
(CHEMBL4072758)
Show SMILES C1CC(N(C1)c1ccnc2[nH]ncc12)c1ccccc1
Show InChI InChI=1S/C16H16N4/c1-2-5-12(6-3-1)14-7-4-10-20(14)15-8-9-17-16-13(15)11-18-19-16/h1-3,5-6,8-9,11,14H,4,7,10H2,(H,17,18,19)
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n/an/a 1n/an/an/an/an/an/a



Sprint Bioscience AB

Curated by ChEMBL


Assay Description
Inhibition of human full length MTH1 using 8-Oxo-2-dGTP as substrate preincubated for 15 mins followed substrate addition measured after 1 hr by PPil...


J Med Chem 61: 2533-2551 (2018)


BindingDB Entry DOI: 10.7270/Q25D8V9Q
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50172920
PNG
(3-(6-(2-chlorophenylamino)-1H-indazol-3-yl)-N-(pip...)
Show SMILES Clc1ccccc1Nc1ccc2c(n[nH]c2c1)-c1cccc(c1)C(=O)NC1CCNCC1
Show InChI InChI=1S/C25H24ClN5O/c26-21-6-1-2-7-22(21)28-19-8-9-20-23(15-19)30-31-24(20)16-4-3-5-17(14-16)25(32)29-18-10-12-27-13-11-18/h1-9,14-15,18,27-28H,10-13H2,(H,29,32)(H,30,31)
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n/an/a 1.40n/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Inhibitory concentration against c-Jun N-terminal kinase 3


Bioorg Med Chem Lett 15: 5095-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.083
BindingDB Entry DOI: 10.7270/Q2JW8DFC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50211306
PNG
(4-(6-(2-chlorophenylamino)-1H-indazol-3-yl)-N-(2-(...)
Show SMILES CN(C)CCNC(=O)c1ccc(cc1)-c1n[nH]c2cc(Nc3ccccc3Cl)ccc12
Show InChI InChI=1S/C24H24ClN5O/c1-30(2)14-13-26-24(31)17-9-7-16(8-10-17)23-19-12-11-18(15-22(19)28-29-23)27-21-6-4-3-5-20(21)25/h3-12,15,27H,13-14H2,1-2H3,(H,26,31)(H,28,29)
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n/an/a 1.90n/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Inhibitory concentration against c-Jun N-terminal kinase 3


Bioorg Med Chem Lett 15: 5095-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.083
BindingDB Entry DOI: 10.7270/Q2JW8DFC
More data for this
Ligand-Target Pair
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM50255585
PNG
(CHEMBL4094381)
Show SMILES C1CN(C(CO1)c1ccccc1)c1ccnc2[nH]ncc12
Show InChI InChI=1S/C16H16N4O/c1-2-4-12(5-3-1)15-11-21-9-8-20(15)14-6-7-17-16-13(14)10-18-19-16/h1-7,10,15H,8-9,11H2,(H,17,18,19)
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n/an/a 2n/an/an/an/an/an/a



Sprint Bioscience AB

Curated by ChEMBL


Assay Description
Inhibition of human full length MTH1 using 8-Oxo-2-dGTP as substrate preincubated for 15 mins followed substrate addition measured after 1 hr by PPil...


J Med Chem 61: 2533-2551 (2018)


BindingDB Entry DOI: 10.7270/Q25D8V9Q
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50178827
PNG
((+)-N-(4-(2-(4-fluorophenylamino)pyridin-4-yl)pyri...)
Show SMILES Fc1ccc(Nc2cc(ccn2)-c2ccnc(NC(=O)C3CCOC3)c2)cc1
Show InChI InChI=1S/C21H19FN4O2/c22-17-1-3-18(4-2-17)25-19-11-14(5-8-23-19)15-6-9-24-20(12-15)26-21(27)16-7-10-28-13-16/h1-6,8-9,11-12,16H,7,10,13H2,(H,23,25)(H,24,26,27)
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 16: 1397-401 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.039
BindingDB Entry DOI: 10.7270/Q2KP81R3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50172919
PNG
(3-[6-(2-Chloro-phenylamino)-1H-indazol-3-yl]-benza...)
Show SMILES NC(=O)c1cccc(c1)-c1n[nH]c2cc(Nc3ccccc3Cl)ccc12
Show InChI InChI=1S/C20H15ClN4O/c21-16-6-1-2-7-17(16)23-14-8-9-15-18(11-14)24-25-19(15)12-4-3-5-13(10-12)20(22)26/h1-11,23H,(H2,22,26)(H,24,25)
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n/an/a 3.20n/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Inhibitory concentration against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 15: 5095-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.083
BindingDB Entry DOI: 10.7270/Q2JW8DFC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50172919
PNG
(3-[6-(2-Chloro-phenylamino)-1H-indazol-3-yl]-benza...)
Show SMILES NC(=O)c1cccc(c1)-c1n[nH]c2cc(Nc3ccccc3Cl)ccc12
Show InChI InChI=1S/C20H15ClN4O/c21-16-6-1-2-7-17(16)23-14-8-9-15-18(11-14)24-25-19(15)12-4-3-5-13(10-12)20(22)26/h1-11,23H,(H2,22,26)(H,24,25)
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n/an/a 3.30n/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Inhibitory concentration against c-Jun N-terminal kinase 3


Bioorg Med Chem Lett 15: 5095-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.083
BindingDB Entry DOI: 10.7270/Q2JW8DFC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50172921
PNG
(3-[6-(2-Chloro-phenylamino)-1H-indazol-3-yl]-N-(3-...)
Show SMILES Clc1ccccc1Nc1ccc2c(n[nH]c2c1)-c1cccc(c1)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C27H28ClN5O2/c28-23-7-1-2-8-24(23)30-21-9-10-22-25(18-21)31-32-26(22)19-5-3-6-20(17-19)27(34)29-11-4-12-33-13-15-35-16-14-33/h1-3,5-10,17-18,30H,4,11-16H2,(H,29,34)(H,31,32)
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n/an/a 3.40n/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Inhibitory concentration against c-Jun N-terminal kinase 3


Bioorg Med Chem Lett 15: 5095-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.083
BindingDB Entry DOI: 10.7270/Q2JW8DFC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50172921
PNG
(3-[6-(2-Chloro-phenylamino)-1H-indazol-3-yl]-N-(3-...)
Show SMILES Clc1ccccc1Nc1ccc2c(n[nH]c2c1)-c1cccc(c1)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C27H28ClN5O2/c28-23-7-1-2-8-24(23)30-21-9-10-22-25(18-21)31-32-26(22)19-5-3-6-20(17-19)27(34)29-11-4-12-33-13-15-35-16-14-33/h1-3,5-10,17-18,30H,4,11-16H2,(H,29,34)(H,31,32)
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n/an/a 3.70n/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Inhibitory concentration against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 15: 5095-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.083
BindingDB Entry DOI: 10.7270/Q2JW8DFC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50172920
PNG
(3-(6-(2-chlorophenylamino)-1H-indazol-3-yl)-N-(pip...)
Show SMILES Clc1ccccc1Nc1ccc2c(n[nH]c2c1)-c1cccc(c1)C(=O)NC1CCNCC1
Show InChI InChI=1S/C25H24ClN5O/c26-21-6-1-2-7-22(21)28-19-8-9-20-23(15-19)30-31-24(20)16-4-3-5-17(14-16)25(32)29-18-10-12-27-13-11-18/h1-9,14-15,18,27-28H,10-13H2,(H,29,32)(H,30,31)
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n/an/a 4.40n/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Inhibitory concentration against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 15: 5095-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.083
BindingDB Entry DOI: 10.7270/Q2JW8DFC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50178843
PNG
((3R)-1-acetyl-N-(4-(2-(4-fluorophenylamino)pyridin...)
Show SMILES CC(=O)N1CCC[C@H](C1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccc(F)cc2)c1
Show InChI InChI=1S/C24H24FN5O2/c1-16(31)30-12-2-3-19(15-30)24(32)29-23-14-18(9-11-27-23)17-8-10-26-22(13-17)28-21-6-4-20(25)5-7-21/h4-11,13-14,19H,2-3,12,15H2,1H3,(H,26,28)(H,27,29,32)/t19-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 16: 1397-401 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.039
BindingDB Entry DOI: 10.7270/Q2KP81R3
More data for this
Ligand-Target Pair
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM50255584
PNG
(CHEMBL4089106)
Show SMILES COC(C)(C)C1CCCN1c1ccnc2[nH]ncc12
Show InChI InChI=1S/C14H20N4O/c1-14(2,19-3)12-5-4-8-18(12)11-6-7-15-13-10(11)9-16-17-13/h6-7,9,12H,4-5,8H2,1-3H3,(H,15,16,17)
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n/an/a 5n/an/an/an/an/an/a



Sprint Bioscience AB

Curated by ChEMBL


Assay Description
Inhibition of human full length MTH1 using 8-Oxo-2-dGTP as substrate preincubated for 15 mins followed substrate addition measured after 1 hr by PPil...


J Med Chem 61: 2533-2551 (2018)


BindingDB Entry DOI: 10.7270/Q25D8V9Q
More data for this
Ligand-Target Pair
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM50255615
PNG
(CHEMBL4061204)
Show SMILES C1CC(N(C1)c1ccnc2[nH]ccc12)c1ccccc1
Show InChI InChI=1S/C17H17N3/c1-2-5-13(6-3-1)15-7-4-12-20(15)16-9-11-19-17-14(16)8-10-18-17/h1-3,5-6,8-11,15H,4,7,12H2,(H,18,19)
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n/an/a 5n/an/an/an/an/an/a



Sprint Bioscience AB

Curated by ChEMBL


Assay Description
Inhibition of human full length MTH1 using 8-Oxo-2-dGTP as substrate preincubated for 15 mins followed substrate addition measured after 1 hr by PPil...


J Med Chem 61: 2533-2551 (2018)


BindingDB Entry DOI: 10.7270/Q25D8V9Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50172927
PNG
(3-[6-(2-Chloro-phenylamino)-1H-indazol-3-yl]-benzo...)
Show SMILES OC(=O)c1cccc(c1)-c1n[nH]c2cc(Nc3ccccc3Cl)ccc12
Show InChI InChI=1S/C20H14ClN3O2/c21-16-6-1-2-7-17(16)22-14-8-9-15-18(11-14)23-24-19(15)12-4-3-5-13(10-12)20(25)26/h1-11,22H,(H,23,24)(H,25,26)
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n/an/a 5.30n/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Inhibitory concentration against c-Jun N-terminal kinase 3


Bioorg Med Chem Lett 15: 5095-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.083
BindingDB Entry DOI: 10.7270/Q2JW8DFC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50178830
PNG
(CHEMBL205078 | N-(4-(2-(4-fluorophenylamino)pyridi...)
Show SMILES Fc1ccc(Nc2cc(ccn2)-c2ccnc(NC(=O)C3CCOCC3)c2)cc1
Show InChI InChI=1S/C22H21FN4O2/c23-18-1-3-19(4-2-18)26-20-13-16(5-9-24-20)17-6-10-25-21(14-17)27-22(28)15-7-11-29-12-8-15/h1-6,9-10,13-15H,7-8,11-12H2,(H,24,26)(H,25,27,28)
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 16: 1397-401 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.039
BindingDB Entry DOI: 10.7270/Q2KP81R3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50178832
PNG
(CHEMBL203535 | N-(2'-(phenylamino)-4,4'-bipyridin-...)
Show SMILES O=C(Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1)C1CCOC1
Show InChI InChI=1S/C21H20N4O2/c26-21(17-8-11-27-14-17)25-20-13-16(7-10-23-20)15-6-9-22-19(12-15)24-18-4-2-1-3-5-18/h1-7,9-10,12-13,17H,8,11,14H2,(H,22,24)(H,23,25,26)
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n/an/a 7n/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 16: 1397-401 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.039
BindingDB Entry DOI: 10.7270/Q2KP81R3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50178836
PNG
(CHEMBL203059 | N-(4-(2-(phenylamino)pyridin-4-yl)p...)
Show SMILES O=C(Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1)C1CCOCC1
Show InChI InChI=1S/C22H22N4O2/c27-22(16-8-12-28-13-9-16)26-21-15-18(7-11-24-21)17-6-10-23-20(14-17)25-19-4-2-1-3-5-19/h1-7,10-11,14-16H,8-9,12-13H2,(H,23,25)(H,24,26,27)
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n/an/a 8n/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 16: 1397-401 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.039
BindingDB Entry DOI: 10.7270/Q2KP81R3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50211306
PNG
(4-(6-(2-chlorophenylamino)-1H-indazol-3-yl)-N-(2-(...)
Show SMILES CN(C)CCNC(=O)c1ccc(cc1)-c1n[nH]c2cc(Nc3ccccc3Cl)ccc12
Show InChI InChI=1S/C24H24ClN5O/c1-30(2)14-13-26-24(31)17-9-7-16(8-10-17)23-19-12-11-18(15-22(19)28-29-23)27-21-6-4-3-5-20(21)25/h3-12,15,27H,13-14H2,1-2H3,(H,26,31)(H,28,29)
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n/an/a 8.70n/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Inhibitory concentration against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 15: 5095-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.083
BindingDB Entry DOI: 10.7270/Q2JW8DFC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50178827
PNG
((+)-N-(4-(2-(4-fluorophenylamino)pyridin-4-yl)pyri...)
Show SMILES Fc1ccc(Nc2cc(ccn2)-c2ccnc(NC(=O)C3CCOC3)c2)cc1
Show InChI InChI=1S/C21H19FN4O2/c22-17-1-3-18(4-2-17)25-19-11-14(5-8-23-19)15-6-9-24-20(12-15)26-21(27)16-7-10-28-13-16/h1-6,8-9,11-12,16H,7,10,13H2,(H,23,25)(H,24,26,27)
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n/an/a 9n/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 16: 1397-401 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.039
BindingDB Entry DOI: 10.7270/Q2KP81R3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50178846
PNG
(1-acetyl-N-(4-(2-(phenylamino)pyridin-4-yl)pyridin...)
Show SMILES CC(=O)N1CCCC(C1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1
Show InChI InChI=1S/C24H25N5O2/c1-17(30)29-13-5-6-20(16-29)24(31)28-23-15-19(10-12-26-23)18-9-11-25-22(14-18)27-21-7-3-2-4-8-21/h2-4,7-12,14-15,20H,5-6,13,16H2,1H3,(H,25,27)(H,26,28,31)
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n/an/a 9n/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 16: 1397-401 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.039
BindingDB Entry DOI: 10.7270/Q2KP81R3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50178842
PNG
((3S)-1-acetyl-N-(4-(2-(4-fluorophenylamino)pyridin...)
Show SMILES CC(=O)N1CCC[C@@H](C1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccc(F)cc2)c1
Show InChI InChI=1S/C24H24FN5O2/c1-16(31)30-12-2-3-19(15-30)24(32)29-23-14-18(9-11-27-23)17-8-10-26-22(13-17)28-21-6-4-20(25)5-7-21/h4-11,13-14,19H,2-3,12,15H2,1H3,(H,26,28)(H,27,29,32)/t19-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 16: 1397-401 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.039
BindingDB Entry DOI: 10.7270/Q2KP81R3
More data for this
Ligand-Target Pair
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM50255617
PNG
(CHEMBL4095468)
Show SMILES Clc1cccc(c1)-c1ccnc2[nH]c(cc12)C(=O)NC1CC1
Show InChI InChI=1S/C17H14ClN3O/c18-11-3-1-2-10(8-11)13-6-7-19-16-14(13)9-15(21-16)17(22)20-12-4-5-12/h1-3,6-9,12H,4-5H2,(H,19,21)(H,20,22)
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n/an/a 10n/an/an/an/an/an/a



Sprint Bioscience AB

Curated by ChEMBL


Assay Description
Inhibition of human full length MTH1 using 8-Oxo-2-dGTP as substrate preincubated for 15 mins followed substrate addition measured after 1 hr by PPil...


J Med Chem 61: 2533-2551 (2018)


BindingDB Entry DOI: 10.7270/Q25D8V9Q
More data for this
Ligand-Target Pair
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM50255610
PNG
(CHEMBL4079884)
Show SMILES CNC(=O)c1cc2c(ccnc2[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C15H12ClN3O/c1-17-15(20)13-8-12-11(5-6-18-14(12)19-13)9-3-2-4-10(16)7-9/h2-8H,1H3,(H,17,20)(H,18,19)
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n/an/a 12n/an/an/an/an/an/a



Sprint Bioscience AB

Curated by ChEMBL


Assay Description
Inhibition of human full length MTH1 using 8-Oxo-2-dGTP as substrate preincubated for 15 mins followed substrate addition measured after 1 hr by PPil...


J Med Chem 61: 2533-2551 (2018)


BindingDB Entry DOI: 10.7270/Q25D8V9Q
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50398768
PNG
(CHEMBL2180030)
Show SMILES COc1c(C)cc(cc1C)[C@]1(N=C(C)C(N)=N1)c1cccc(c1)-c1cncnc1
Show InChI InChI=1S/C23H23N5O/c1-14-8-20(9-15(2)21(14)29-4)23(27-16(3)22(24)28-23)19-7-5-6-17(10-19)18-11-25-13-26-12-18/h5-13H,1-4H3,(H2,24,28)/t23-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BACE1 using (europium)CEVNLDAEFK(Qsy7) as substrate incubated for 10 mins prior to substrate addition measured after 15 mins by T...


J Med Chem 55: 9297-311 (2012)


Article DOI: 10.1021/jm300991n
BindingDB Entry DOI: 10.7270/Q2HH6M79
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50172922
PNG
(4-[6-(2-Chloro-phenylamino)-1H-indazol-3-yl]-benzo...)
Show SMILES OC(=O)c1ccc(cc1)-c1n[nH]c2cc(Nc3ccccc3Cl)ccc12
Show InChI InChI=1S/C20H14ClN3O2/c21-16-3-1-2-4-17(16)22-14-9-10-15-18(11-14)23-24-19(15)12-5-7-13(8-6-12)20(25)26/h1-11,22H,(H,23,24)(H,25,26)
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Inhibitory concentration against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 15: 5095-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.083
BindingDB Entry DOI: 10.7270/Q2JW8DFC
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50398774
PNG
(CHEMBL2180031)
Show SMILES COc1c(C)cc(cc1C)C1(N=C(C)C(N)=N1)c1cccc(c1)-c1cncc(c1)C#CC
Show InChI InChI=1S/C27H26N4O/c1-6-8-20-13-22(16-29-15-20)21-9-7-10-23(14-21)27(30-19(4)26(28)31-27)24-11-17(2)25(32-5)18(3)12-24/h7,9-16H,1-5H3,(H2,28,31)
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n/an/a 14n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of BACE1-mediated sAPPbeta release in human SH-SY5Y cells after 16 hrs by ELISA


J Med Chem 55: 9297-311 (2012)


Article DOI: 10.1021/jm300991n
BindingDB Entry DOI: 10.7270/Q2HH6M79
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50178839
PNG
(CHEMBL202676 | cis-N-(4-(2-(4-fluorophenylamino)py...)
Show SMILES CO[C@H]1CC[C@H](CC1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccc(F)cc2)c1
Show InChI InChI=1S/C24H25FN4O2/c1-31-21-8-2-16(3-9-21)24(30)29-23-15-18(11-13-27-23)17-10-12-26-22(14-17)28-20-6-4-19(25)5-7-20/h4-7,10-16,21H,2-3,8-9H2,1H3,(H,26,28)(H,27,29,30)/t16-,21+
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n/an/a 15n/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 16: 1397-401 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.039
BindingDB Entry DOI: 10.7270/Q2KP81R3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50178838
PNG
(1-acetyl-N-(4-(2-(4-fluorophenylamino)pyridin-4-yl...)
Show SMILES CC(=O)N1CCCC(C1)C(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccc(F)cc2)c1
Show InChI InChI=1S/C24H24FN5O2/c1-16(31)30-12-2-3-19(15-30)24(32)29-23-14-18(9-11-27-23)17-8-10-26-22(13-17)28-21-6-4-20(25)5-7-21/h4-11,13-14,19H,2-3,12,15H2,1H3,(H,26,28)(H,27,29,32)
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n/an/a 15n/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 16: 1397-401 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.039
BindingDB Entry DOI: 10.7270/Q2KP81R3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50172923
PNG
(3-[6-(2-Chloro-phenylamino)-1H-indazol-3-yl]-N-(2-...)
Show SMILES CN(C)CCNC(=O)c1cccc(c1)-c1n[nH]c2cc(Nc3ccccc3Cl)ccc12
Show InChI InChI=1S/C24H24ClN5O/c1-30(2)13-12-26-24(31)17-7-5-6-16(14-17)23-19-11-10-18(15-22(19)28-29-23)27-21-9-4-3-8-20(21)25/h3-11,14-15,27H,12-13H2,1-2H3,(H,26,31)(H,28,29)
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n/an/a 16n/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Inhibitory concentration against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 15: 5095-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.083
BindingDB Entry DOI: 10.7270/Q2JW8DFC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50178848
PNG
(CHEMBL205672 | N-(4-fluorophenyl)-4-(2-(4-fluoroph...)
Show SMILES Fc1ccc(Nc2cc(ccn2)-c2ccnc(Nc3ccc(F)cc3)c2)cc1
Show InChI InChI=1S/C22H16F2N4/c23-17-1-5-19(6-2-17)27-21-13-15(9-11-25-21)16-10-12-26-22(14-16)28-20-7-3-18(24)4-8-20/h1-14H,(H,25,27)(H,26,28)
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n/an/a 17n/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 16: 1397-401 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.039
BindingDB Entry DOI: 10.7270/Q2KP81R3
More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM50005021
PNG
(CHEMBL2408786 | US9650336, Example 3)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22C=C(F)C(N)=N2)-c2cncc(c2)C#CC)CC1
Show InChI InChI=1S/C26H26FN3O/c1-3-4-17-11-20(16-29-15-17)18-5-6-19-13-25(9-7-21(31-2)8-10-25)26(22(19)12-18)14-23(27)24(28)30-26/h5-6,11-12,14-16,21H,7-10,13H2,1-2H3,(H2,28,30)/t21-,25-,26?
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n/an/a 18n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The cDNA for the soluble part of the human 13-Secretase (AA 1-AA 460) was cloned using the ASP2-Fc10-1-IRES-GFP-neoK mammalian expression vector. The...


US Patent US9650336 (2017)


BindingDB Entry DOI: 10.7270/Q23X88QM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50178837
PNG
(CHEMBL380724 | N-(4-(2-(phenylamino)pyridin-4-yl)p...)
Show SMILES O=C(Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1)c1ccco1
Show InChI InChI=1S/C21H16N4O2/c26-21(18-7-4-12-27-18)25-20-14-16(9-11-23-20)15-8-10-22-19(13-15)24-17-5-2-1-3-6-17/h1-14H,(H,22,24)(H,23,25,26)
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n/an/a 18n/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 16: 1397-401 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.039
BindingDB Entry DOI: 10.7270/Q2KP81R3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50172918
PNG
((2-Chloro-phenyl)-(3-phenyl-1H-indazol-6-yl)-amine...)
Show SMILES Clc1ccccc1Nc1ccc2c(n[nH]c2c1)-c1ccccc1
Show InChI InChI=1S/C19H14ClN3/c20-16-8-4-5-9-17(16)21-14-10-11-15-18(12-14)22-23-19(15)13-6-2-1-3-7-13/h1-12,21H,(H,22,23)
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n/an/a 18n/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Inhibitory concentration against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 15: 5095-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.083
BindingDB Entry DOI: 10.7270/Q2JW8DFC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50178829
PNG
(3-methoxy-N-(4-(2-(phenylamino)pyridin-4-yl)pyridi...)
Show SMILES COCCC(=O)Nc1cc(ccn1)-c1ccnc(Nc2ccccc2)c1
Show InChI InChI=1S/C20H20N4O2/c1-26-12-9-20(25)24-19-14-16(8-11-22-19)15-7-10-21-18(13-15)23-17-5-3-2-4-6-17/h2-8,10-11,13-14H,9,12H2,1H3,(H,21,23)(H,22,24,25)
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 16: 1397-401 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.039
BindingDB Entry DOI: 10.7270/Q2KP81R3
More data for this
Ligand-Target Pair
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM50255618
PNG
(CHEMBL4104130)
Show SMILES CCNC(=O)c1cc2c(ccnc2[nH]1)-c1cccc(Cl)c1
Show InChI InChI=1S/C16H14ClN3O/c1-2-18-16(21)14-9-13-12(6-7-19-15(13)20-14)10-4-3-5-11(17)8-10/h3-9H,2H2,1H3,(H,18,21)(H,19,20)
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n/an/a 20n/an/an/an/an/an/a



Sprint Bioscience AB

Curated by ChEMBL


Assay Description
Inhibition of human full length MTH1 using 8-Oxo-2-dGTP as substrate preincubated for 15 mins followed substrate addition measured after 1 hr by PPil...


J Med Chem 61: 2533-2551 (2018)


BindingDB Entry DOI: 10.7270/Q25D8V9Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50172923
PNG
(3-[6-(2-Chloro-phenylamino)-1H-indazol-3-yl]-N-(2-...)
Show SMILES CN(C)CCNC(=O)c1cccc(c1)-c1n[nH]c2cc(Nc3ccccc3Cl)ccc12
Show InChI InChI=1S/C24H24ClN5O/c1-30(2)13-12-26-24(31)17-7-5-6-16(14-17)23-19-11-10-18(15-22(19)28-29-23)27-21-9-4-3-8-20(21)25/h3-11,14-15,27H,12-13H2,1-2H3,(H,26,31)(H,28,29)
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n/an/a 21n/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Inhibitory concentration against c-Jun N-terminal kinase 3


Bioorg Med Chem Lett 15: 5095-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.083
BindingDB Entry DOI: 10.7270/Q2JW8DFC
More data for this
Ligand-Target Pair
Prostaglandin E synthase 2


(Homo sapiens (Human))
BDBM181966
PNG
(US9145380, 169)
Show SMILES COc1ncc(cc1Cl)-c1cccc(c1)S(=O)(=O)Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C18H16ClN3O5S2/c1-27-18-15(19)10-13(11-21-18)12-5-4-6-14(9-12)29(25,26)22-16-7-2-3-8-17(16)28(20,23)24/h2-11,22H,1H3,(H2,20,23,24)
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US Patent
n/an/a 22n/an/an/an/a6.8n/a



AstraZeneca AB

US Patent


Assay Description
A solution of test compound was added to a diluted microsome preparation containing human mPGES-1 and pre-incubated for 15 minutes in potassium phosp...


US Patent US9145380 (2015)


BindingDB Entry DOI: 10.7270/Q2XG9PXM
More data for this
Ligand-Target Pair
Beta-secretase 1 (aa 1-460)


(Homo sapiens (Human))
BDBM50005022
PNG
(CHEMBL2408787 | US9650336, Example 1)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22C=C(F)C(N)=N2)-c2cncnc2)CC1
Show InChI InChI=1S/C22H23FN4O/c1-28-17-4-6-21(7-5-17)9-15-3-2-14(16-11-25-13-26-12-16)8-18(15)22(21)10-19(23)20(24)27-22/h2-3,8,10-13,17H,4-7,9H2,1H3,(H2,24,27)/t17-,21-,22?
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n/an/a 22n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
The cDNA for the soluble part of the human 13-Secretase (AA 1-AA 460) was cloned using the ASP2-Fc10-1-IRES-GFP-neoK mammalian expression vector. The...


US Patent US9650336 (2017)


BindingDB Entry DOI: 10.7270/Q23X88QM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50172927
PNG
(3-[6-(2-Chloro-phenylamino)-1H-indazol-3-yl]-benzo...)
Show SMILES OC(=O)c1cccc(c1)-c1n[nH]c2cc(Nc3ccccc3Cl)ccc12
Show InChI InChI=1S/C20H14ClN3O2/c21-16-6-1-2-7-17(16)22-14-8-9-15-18(11-14)23-24-19(15)12-4-3-5-13(10-12)20(25)26/h1-11,22H,(H,23,24)(H,25,26)
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n/an/a 24n/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
Inhibitory concentration against Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 15: 5095-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.083
BindingDB Entry DOI: 10.7270/Q2JW8DFC
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50398768
PNG
(CHEMBL2180030)
Show SMILES COc1c(C)cc(cc1C)[C@]1(N=C(C)C(N)=N1)c1cccc(c1)-c1cncnc1
Show InChI InChI=1S/C23H23N5O/c1-14-8-20(9-15(2)21(14)29-4)23(27-16(3)22(24)28-23)19-7-5-6-17(10-19)18-11-25-13-26-12-18/h5-13H,1-4H3,(H2,24,28)/t23-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of BACE1-mediated sAPPbeta release in human SH-SY5Y cells after 16 hrs by ELISA


J Med Chem 55: 9297-311 (2012)


Article DOI: 10.1021/jm300991n
BindingDB Entry DOI: 10.7270/Q2HH6M79
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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