Found 597 hits with Last Name = 'viklund' and Initial = 'j' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
MutT homolog 1 protein (MTH1)
(Homo sapiens (Human)) | BDBM50255582
(CHEMBL4078783)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) | PDB
UniProtKB/SwissProt
GoogleScholar
| PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | <0.100 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
UniProtKB/SwissProt
GoogleScholar
| PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
UniProtKB/SwissProt
GoogleScholar
| PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | <0.100 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4064004)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) | PDB
UniProtKB/SwissProt
GoogleScholar
| PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | <0.100 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4091768)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) | PDB
UniProtKB/SwissProt
GoogleScholar
| PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | <0.100 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4070624)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) | PDB
UniProtKB/SwissProt
GoogleScholar
| PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4067896)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) | PDB
UniProtKB/SwissProt
GoogleScholar
| PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | <0.100 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4101983)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) | PDB
UniProtKB/SwissProt
GoogleScholar
| PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | <0.100 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
UniProtKB/SwissProt
GoogleScholar
| PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | <0.100 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4096813)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 | PDB
UniProtKB/SwissProt
GoogleScholar
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
MutT homolog 1 protein (MTH1)
(Homo sapiens (Human)) | BDBM50255623
(CHEMBL4072758)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) | PDB
UniProtKB/SwissProt
GoogleScholar
| PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4094381)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) | PDB
UniProtKB/SwissProt
GoogleScholar
| PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/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
((+)-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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/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
((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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4089106)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) | PDB
UniProtKB/SwissProt
GoogleScholar
| PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4061204)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) | PDB
UniProtKB/SwissProt
GoogleScholar
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50172927
(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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/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
((+)-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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/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
((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 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4095468)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) | PDB
UniProtKB/SwissProt
GoogleScholar
| PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4079884)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) | PDB
UniProtKB/SwissProt
GoogleScholar
| PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50172922
(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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/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
(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+ | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50178838
(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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/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
(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? | PDB
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/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
((2-Chloro-phenyl)-(3-phenyl-1H-indazol-6-yl)-amine...)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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/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
(3-methoxy-N-(4-(2-(phenylamino)pyridin-4-yl)pyridi...)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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL4104130)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) | PDB
UniProtKB/SwissProt
GoogleScholar
| PC cid
PC sid
PDB
UniChem
| PDB
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50172923
(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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | 6.8 | n/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
(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? | PDB
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
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