Found 164 hits with Last Name = 'buijsman' and Initial = 'r' 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 |
|---|
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241077
(CHEMBL4060815)Show SMILES CNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5cccc(F)c5)c(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C30H22F3N3O3/c1-34-29(38)19-8-6-16-5-7-17-12-21(9-10-22(17)28(37)23(16)13-19)35-26-15-27(25(33)14-24(26)32)36-30(39)18-3-2-4-20(31)11-18/h2-4,6,8-15,35H,5,7H2,1H3,(H,34,38)(H,36,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241078
(CHEMBL4073561)Show SMILES CNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5ccc(Cl)cc5)c(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C30H22ClF2N3O3/c1-34-29(38)19-5-3-16-2-4-18-12-21(10-11-22(18)28(37)23(16)13-19)35-26-15-27(25(33)14-24(26)32)36-30(39)17-6-8-20(31)9-7-17/h3,5-15,35H,2,4H2,1H3,(H,34,38)(H,36,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241013
(CHEMBL4066023)Show SMILES OCC(O)CNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5ccccc5)c(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C32H27F2N3O5/c33-26-14-27(34)29(37-32(42)19-4-2-1-3-5-19)15-28(26)36-22-10-11-24-20(12-22)8-6-18-7-9-21(13-25(18)30(24)40)31(41)35-16-23(39)17-38/h1-5,7,9-15,23,36,38-39H,6,8,16-17H2,(H,35,41)(H,37,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50425360
(CHEMBL2316207)Show SMILES Fc1ccc(Nc2ccc3c(CCc4ccc(cc4C3=O)C(=O)NCCN3CCOCC3)c2)cc1NC(=O)c1ccccc1 Show InChI InChI=1S/C35H33FN4O4/c36-31-13-11-28(22-32(31)39-35(43)24-4-2-1-3-5-24)38-27-10-12-29-25(20-27)8-6-23-7-9-26(21-30(23)33(29)41)34(42)37-14-15-40-16-18-44-19-17-40/h1-5,7,9-13,20-22,38H,6,8,14-19H2,(H,37,42)(H,39,43) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241059
(CHEMBL4069496)Show SMILES CNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5cccc(OC)c5)c(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C31H25F2N3O4/c1-34-30(38)20-9-7-17-6-8-18-12-21(10-11-23(18)29(37)24(17)14-20)35-27-16-28(26(33)15-25(27)32)36-31(39)19-4-3-5-22(13-19)40-2/h3-5,7,9-16,35H,6,8H2,1-2H3,(H,34,38)(H,36,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241058
(CHEMBL4104440)Show SMILES CNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5ccc(cc5)C(F)(F)F)c(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C31H22F5N3O3/c1-37-29(41)19-5-3-16-2-4-18-12-21(10-11-22(18)28(40)23(16)13-19)38-26-15-27(25(33)14-24(26)32)39-30(42)17-6-8-20(9-7-17)31(34,35)36/h3,5-15,38H,2,4H2,1H3,(H,37,41)(H,39,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241010
(CHEMBL4074237)Show SMILES Cc1cc(F)c(NC(=O)c2ccccc2)cc1Nc1ccc2c(CCc3ccc(cc3C2=O)C(=O)NC[C@@H](O)CO)c1 |r| Show InChI InChI=1S/C33H30FN3O5/c1-19-13-28(34)30(37-33(42)21-5-3-2-4-6-21)16-29(19)36-24-11-12-26-22(14-24)9-7-20-8-10-23(15-27(20)31(26)40)32(41)35-17-25(39)18-38/h2-6,8,10-16,25,36,38-39H,7,9,17-18H2,1H3,(H,35,41)(H,37,42)/t25-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK in human whole blood assessed as reduction in TNF-alpha release after 10 mins by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241055
(CHEMBL4066347)Show SMILES OCCNC(=O)c1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5ccccc5)c4)ccc3C(=O)c2c1 Show InChI InChI=1S/C31H26FN3O4/c32-27-13-11-24(18-28(27)35-31(39)20-4-2-1-3-5-20)34-23-10-12-25-21(16-23)8-6-19-7-9-22(17-26(19)29(25)37)30(38)33-14-15-36/h1-5,7,9-13,16-18,34,36H,6,8,14-15H2,(H,33,38)(H,35,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
MMDB
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241062
(CHEMBL4100394)Show SMILES CNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5cccc(Cl)c5)c(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C30H22ClF2N3O3/c1-34-29(38)19-8-6-16-5-7-17-12-21(9-10-22(17)28(37)23(16)13-19)35-26-15-27(25(33)14-24(26)32)36-30(39)18-3-2-4-20(31)11-18/h2-4,6,8-15,35H,5,7H2,1H3,(H,34,38)(H,36,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241017
(CHEMBL4101643)Show SMILES NC(=O)c1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5ccccc5)c4)ccc3C(=O)c2c1 Show InChI InChI=1S/C29H22FN3O3/c30-25-13-11-22(16-26(25)33-29(36)18-4-2-1-3-5-18)32-21-10-12-23-19(14-21)8-6-17-7-9-20(28(31)35)15-24(17)27(23)34/h1-5,7,9-16,32H,6,8H2,(H2,31,35)(H,33,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241020
(CHEMBL4072910)Show SMILES COC(=O)c1ccc2COc3cc(Nc4cc(NC(=O)c5ccsc5)c(F)cc4C)ccc3C(=O)c2c1 Show InChI InChI=1S/C28H21FN2O5S/c1-15-9-22(29)24(31-27(33)18-7-8-37-14-18)12-23(15)30-19-5-6-20-25(11-19)36-13-17-4-3-16(28(34)35-2)10-21(17)26(20)32/h3-12,14,30H,13H2,1-2H3,(H,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241014
(CHEMBL4087408)Show SMILES Fc1cc(F)c(Nc2ccc3c(CCc4ccc(cc4C3=O)C(=O)NCCN3CCOCC3)c2)cc1NC(=O)c1ccccc1 Show InChI InChI=1S/C35H32F2N4O4/c36-29-20-30(37)32(40-35(44)23-4-2-1-3-5-23)21-31(29)39-26-10-11-27-24(18-26)8-6-22-7-9-25(19-28(22)33(27)42)34(43)38-12-13-41-14-16-45-17-15-41/h1-5,7,9-11,18-21,39H,6,8,12-17H2,(H,38,43)(H,40,44) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241032
(CHEMBL4082939)Show SMILES NC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5cccs5)c(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C27H19F2N3O3S/c28-20-12-21(29)23(32-27(35)24-2-1-9-36-24)13-22(20)31-17-7-8-18-15(10-17)5-3-14-4-6-16(26(30)34)11-19(14)25(18)33/h1-2,4,6-13,31H,3,5H2,(H2,30,34)(H,32,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241061
(CHEMBL4089021)Show SMILES CNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5ccc(F)cc5)c(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C30H22F3N3O3/c1-34-29(38)19-5-3-16-2-4-18-12-21(10-11-22(18)28(37)23(16)13-19)35-26-15-27(25(33)14-24(26)32)36-30(39)17-6-8-20(31)9-7-17/h3,5-15,35H,2,4H2,1H3,(H,34,38)(H,36,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241060
(CHEMBL4096722)Show SMILES CNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5ccc(OC)cc5)c(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C31H25F2N3O4/c1-34-30(38)20-6-4-17-3-5-19-13-21(9-12-23(19)29(37)24(17)14-20)35-27-16-28(26(33)15-25(27)32)36-31(39)18-7-10-22(40-2)11-8-18/h4,6-16,35H,3,5H2,1-2H3,(H,34,38)(H,36,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM532308
(JDM666A | N-(2,6-dimethylphenyl-2-[4-[4-[2-ethylam...)Show SMILES CCNCC(=O)N1CCN(CC1)c1ccc(Nc2ncc3CCc4c(ccn4-c3n2)C(=O)Nc2c(C)cccc2C)c(OC)c1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2474F22 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM532304
(JDM697A | N-[1-[2-(2-ethoxyethoxy)ethyl]-3,5-dieth...)Show SMILES CCOCCOCCn1nc(CC)c(NC(=O)c2ccn-3c2CCc2cnc(Nc4ccc(cc4OC)N4CCN(CC4)C(=O)COC)nc-32)c1CC | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2474F22 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM532294
(JDM0684A | N-[3,5-diethyl-1-[2-[2-(2-methoxyethoxy...)Show SMILES CCc1nn(CCOCCOCCOC)c(CC)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3OC)N3CCN(CC3)C(=O)COC)nc-21 | PDB
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| PDB
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| n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2474F22 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM532306
(JDM703A | N-[3,5-diethyl-1-[2-[2-(2-methoxyethoxy)...)Show SMILES CCNCC(=O)N1CCN(CC1)c1ccc(Nc2ncc3CCc4c(ccn4-c3n2)C(=O)Nc2c(CC)nn(CCOCCOCCOC)c2CC)c(OC)c1 | PDB
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PC sid
UniChem
| US Patent
| n/a | n/a | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2474F22 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM532285
(N-(2,6-diethylphenyl)-8-(2-methoxy-4-piperazin-1-y...)Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)N3CCNCC3)nc-21 | PDB
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| n/a | n/a | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2474F22 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241016
(CHEMBL4077602)Show SMILES CNC(=O)c1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5ccccc5)c4)ccc3C(=O)c2c1 Show InChI InChI=1S/C30H24FN3O3/c1-32-29(36)21-10-8-18-7-9-20-15-22(11-13-24(20)28(35)25(18)16-21)33-23-12-14-26(31)27(17-23)34-30(37)19-5-3-2-4-6-19/h2-6,8,10-17,33H,7,9H2,1H3,(H,32,36)(H,34,37) | PDB
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241038
(CHEMBL4071095)Show SMILES OCCNC(=O)c1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5cccs5)c4)ccc3C(=O)c2c1 Show InChI InChI=1S/C29H24FN3O4S/c30-24-10-8-21(16-25(24)33-29(37)26-2-1-13-38-26)32-20-7-9-22-18(14-20)5-3-17-4-6-19(15-23(17)27(22)35)28(36)31-11-12-34/h1-2,4,6-10,13-16,32,34H,3,5,11-12H2,(H,31,36)(H,33,37) | PDB
MMDB
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM258443
(US11208696, Example 6 | US9512130, 1)Show SMILES COc1ccc(Oc2cc(NCC3COC3)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)cc1F Show InChI InChI=1S/C28H28FN5O4/c1-16-9-18(3-7-21(16)28(35)32-19-4-5-19)24-13-31-27-23(30-12-17-14-37-15-17)11-26(33-34(24)27)38-20-6-8-25(36-2)22(29)10-20/h3,6-11,13,17,19,30H,4-5,12,14-15H2,1-2H3,(H,32,35) | PDB
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| US Patent
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2474F22 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM532292
(JGS79C | N-(2,6-diethylphenyl)-2-[2-methoxy-4-(4-m...)Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc-21 | PDB
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MCE
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UniChem
| PDB
US Patent
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2474F22 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM532289
(JGS439C | N-(2,6-dimethylphenyl)-2-[2-methoxy-4-(t...)Show SMILES COc1cc(ccc1Nc1ncc2CCc3c(ccn3-c2n1)C(=O)Nc1c(C)cccc1C)C(=O)NC1CCOCC1 | PDB
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| PC cid
PC sid
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| US Patent
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2474F22 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241027
(CHEMBL4064695)Show SMILES COC(=O)c1ccc2COc3cc(Nc4ccc(F)c(NC(=O)c5cccs5)c4)ccc3C(=O)c2c1 Show InChI InChI=1S/C27H19FN2O5S/c1-34-27(33)15-4-5-16-14-35-23-13-18(6-8-19(23)25(31)20(16)11-15)29-17-7-9-21(28)22(12-17)30-26(32)24-3-2-10-36-24/h2-13,29H,14H2,1H3,(H,30,32) | PDB
MMDB
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Reactome pathway
KEGG
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| CHEMBL
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241000
(CHEMBL4092372)Show SMILES OCCNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5cccs5)c(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C29H23F2N3O4S/c30-22-14-23(31)25(34-29(38)26-2-1-11-39-26)15-24(22)33-19-7-8-20-17(12-19)5-3-16-4-6-18(13-21(16)27(20)36)28(37)32-9-10-35/h1-2,4,6-8,11-15,33,35H,3,5,9-10H2,(H,32,37)(H,34,38) | PDB
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Reactome pathway
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| PDB
Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Opioid receptor binding affinity in rat brain membrane preparations by the displacement of [3H]- DPDPE (Opioid receptor delta 1-selective radioligand... |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241037
(CHEMBL4076170)Show SMILES NC(=O)c1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5cccs5)c4)ccc3C(=O)c2c1 Show InChI InChI=1S/C27H20FN3O3S/c28-22-10-8-19(14-23(22)31-27(34)24-2-1-11-35-24)30-18-7-9-20-16(12-18)5-3-15-4-6-17(26(29)33)13-21(15)25(20)32/h1-2,4,6-14,30H,3,5H2,(H2,29,33)(H,31,34) | PDB
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| CHEMBL
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241045
(CHEMBL4103539)Show SMILES Fc1ccc(NC(=O)c2cccs2)cc1Nc1ccc2c(CCc3ccc(cc3C2=O)C(=O)NCCN2CCOCC2)c1 Show InChI InChI=1S/C33H31FN4O4S/c34-28-10-8-25(37-33(41)30-2-1-17-43-30)20-29(28)36-24-7-9-26-22(18-24)5-3-21-4-6-23(19-27(21)31(26)39)32(40)35-11-12-38-13-15-42-16-14-38/h1-2,4,6-10,17-20,36H,3,5,11-16H2,(H,35,40)(H,37,41) | PDB
MMDB
NCI pathway
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KEGG
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| CHEMBL
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PC sid
UniChem
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PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM532301
(JDM677A | N-[1-[2-[2-(2-methoxyethoxy)ethoxyethyl]...)Show SMILES COCCOCCOCCn1nc(C)c(NC(=O)c2ccn-3c2CCc2cnc(Nc4ccc(cc4OC)N4CCN(CC4)C(=O)COC)nc-32)c1C | PDB
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| PC cid
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UniChem
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| n/a | n/a | 0.620 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2474F22 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50349102
(CHEMBL1236095 | US11208696, Example 3)Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)NC3CCN(C)CC3)nc-21 Show InChI InChI=1S/C35H39F3N8O3/c1-5-20-8-7-9-21(6-2)28(20)42-33(48)30-25-12-10-23-19-39-34(43-29(23)31(25)46(4)44-30)41-26-13-11-22(18-27(26)49-35(36,37)38)32(47)40-24-14-16-45(3)17-15-24/h7-9,11,13,18-19,24H,5-6,10,12,14-17H2,1-4H3,(H,40,47)(H,42,48)(H,39,41,43) | PDB
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| n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2474F22 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM258445
(US11208696, Example 5 | US9512130, 3)Show SMILES COc1ccc(Oc2cc(NCC3CCOCC3)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F Show InChI InChI=1S/C30H31F2N5O4/c1-17-13-19(3-6-21(17)30(38)35-20-4-5-20)23-16-34-29-22(33-15-18-9-11-40-12-10-18)14-26(36-37(23)29)41-25-8-7-24(39-2)27(31)28(25)32/h3,6-8,13-14,16,18,20,33H,4-5,9-12,15H2,1-2H3,(H,35,38) | PDB
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| PC cid
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| n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2474F22 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM532307
(2-[4-[4-[(2R)-azetidine-2-carbonyl]piperazin-1-yl]...)Show SMILES CCc1nn(CCOCCOC)c(CC)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3OC)N3CCN(CC3)C(=O)[C@H]3CCN3)nc-21 |r| | PDB
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| PC cid
PC sid
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| n/a | n/a | 0.660 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2474F22 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM532288
(N-(2,6-dimethylphenyl)-2-(2-methyl-4-piperazin-1-y...)Show SMILES Cc1cccc(C)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3C)N3CCNCC3)nc-21 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2474F22 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241023
(CHEMBL4103149)Show SMILES NC(=O)c1ccc2COc3cc(Nc4cc(NC(=O)c5cccs5)c(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C26H17F2N3O4S/c27-18-10-19(28)21(31-26(34)23-2-1-7-36-23)11-20(18)30-15-5-6-16-22(9-15)35-12-14-4-3-13(25(29)33)8-17(14)24(16)32/h1-11,30H,12H2,(H2,29,33)(H,31,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241011
(CHEMBL4102854)Show SMILES CNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5ccccc5)c(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C30H23F2N3O3/c1-33-29(37)20-10-8-17-7-9-19-13-21(11-12-22(19)28(36)23(17)14-20)34-26-16-27(25(32)15-24(26)31)35-30(38)18-5-3-2-4-6-18/h2-6,8,10-16,34H,7,9H2,1H3,(H,33,37)(H,35,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM532303
(JDM713A | N-[3,5-diethyl-1-[2-(2-methoxyethoxy)eth...)Show SMILES CCNCC(=O)N1CCN(CC1)c1ccc(Nc2ncc3CCc4c(ccn4-c3n2)C(=O)Nc2c(CC)nn(CCOCCOCC)c2CC)c(OC)c1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.710 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2474F22 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM532290
(JDM0641A | N-[1-[2-[2-(2-methoxyethoxyethoxy]ethyl...)Show SMILES COCCOCCOCCn1nc(C)c(NC(=O)c2ccn-3c2CCc2cnc(Nc4ccc(cc4OC)-c4c(C)nn(C)c4C)nc-32)c1C | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.730 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2474F22 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM532309
(JGS0715B | N-cyclopropyl-4-[6-(2,3-difluoro-4-meth...)Show SMILES COc1ccc(Oc2nc(NCCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC5CC5)c(C)c4)n3n2)c(F)c1F | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.790 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2474F22 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241018
(CHEMBL4075759)Show SMILES COC(=O)c1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5ccccc5)c4)ccc3C(=O)c2c1 Show InChI InChI=1S/C30H23FN2O4/c1-37-30(36)21-10-8-18-7-9-20-15-22(11-13-24(20)28(34)25(18)16-21)32-23-12-14-26(31)27(17-23)33-29(35)19-5-3-2-4-6-19/h2-6,8,10-17,32H,7,9H2,1H3,(H,33,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241015
(CHEMBL4093914)Show SMILES OCC(O)CNC(=O)c1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5ccccc5)c4)ccc3C(=O)c2c1 Show InChI InChI=1S/C32H28FN3O5/c33-28-13-11-24(16-29(28)36-32(41)20-4-2-1-3-5-20)35-23-10-12-26-21(14-23)8-6-19-7-9-22(15-27(19)30(26)39)31(40)34-17-25(38)18-37/h1-5,7,9-16,25,35,37-38H,6,8,17-18H2,(H,34,40)(H,36,41) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241069
(CHEMBL4094105)Show SMILES NC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)C5CC5)c(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C26H21F2N3O3/c27-20-11-21(28)23(31-26(34)14-3-4-14)12-22(20)30-17-7-8-18-15(9-17)5-1-13-2-6-16(25(29)33)10-19(13)24(18)32/h2,6-12,14,30H,1,3-5H2,(H2,29,33)(H,31,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM532305
(JDM636A | N-[3,5-diethyl-1-[2-[2-(2-methoxyethoxy)...)Show SMILES CCc1nn(CCOCCOCCOC)c(CC)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc-21 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.910 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2474F22 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM532291
(JDM0443A | N-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethy...)Show SMILES COCCOCCOCCn1nc(C)c(NC(=O)c2ccn-3c2CCc2cnc(Nc4ccc(cc4OC)N4CCN(C)CC4)nc-32)c1C | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.930 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2474F22 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM532302
(JDM711A | N-[3,5-diethyl-1-[2-(2-methoxyethoxy eth...)Show SMILES CCc1nn(CCOCCOC)c(CC)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3OC)N3CCN(CC3)C(=O)C3(C)CNC3)nc-21 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.960 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2474F22 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM532293
(N-(3,5-diethyl-1H-pyrazol-4-yl)-2-[2-(difluorometh...)Show SMILES CCc1n[nH]c(CC)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3OC(F)F)N3CCN(C)CC3)nc-21 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.970 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2474F22 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM532295
(JDM0466A | N-[3,5-diethyl-1-[2-(2-methoxy)ethyl]py...)Show SMILES CCc1nn(CCOCCOC)c(CC)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc-21 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.980 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2474F22 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241072
(CHEMBL4079527)Show SMILES OCCNC(=O)c1ccc2CCc3cc(Nc4cc(NC(=O)c5ccccc5)c(F)cc4F)ccc3C(=O)c2c1 Show InChI InChI=1S/C31H25F2N3O4/c32-25-16-26(33)28(36-31(40)19-4-2-1-3-5-19)17-27(25)35-22-10-11-23-20(14-22)8-6-18-7-9-21(15-24(18)29(23)38)30(39)34-12-13-37/h1-5,7,9-11,14-17,35,37H,6,8,12-13H2,(H,34,39)(H,36,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50240996
(CHEMBL4095093)Show SMILES Fc1ccc(Nc2ccc3c(OCc4ccc(cc4C3=O)C(=O)NCCN3CCOCC3)c2)cc1NC(=O)c1ccccc1 Show InChI InChI=1S/C34H31FN4O5/c35-29-11-9-25(19-30(29)38-34(42)22-4-2-1-3-5-22)37-26-8-10-27-31(20-26)44-21-24-7-6-23(18-28(24)32(27)40)33(41)36-12-13-39-14-16-43-17-15-39/h1-11,18-20,37H,12-17,21H2,(H,36,41)(H,38,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universitaet Tuebingen
Curated by ChEMBL
| Assay Description
Inhibition of P38 alpha MAPK (unknown origin) by ELISA |
J Med Chem 60: 8027-8054 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00745
BindingDB Entry DOI: 10.7270/Q2RV0QVZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM532297
(JDM323A | N-(3,5-dimethyl-1H-pyrazol-4-≡(1-2...)Show SMILES COc1cc(OC2CCN(C)CC2)ccc1Nc1ncc2CCc3c(ccn3-c2n1)C(=O)Nc1c(C)n[nH]c1C | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The inhibitory activity of compounds on biochemically purified full-length TTK (Life Technologies, Madison, Wis., U.S.A.) was determined in the IMAP®... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2474F22 |
More data for this
Ligand-Target Pair | |
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