Found 99 hits with Last Name = 'rigoreau' and Initial = 'ljm' 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 |
|---|
Dual specificity mitogen-activated protein kinase kinase 5
(Homo sapiens (Human)) | BDBM50434072
(CHEMBL2381342)Show SMILES CN(C)Cc1cccc(c1)N=C(C1C(=O)Nc2cc(ccc12)C(=O)N(C)C)c1ccccc1 |w:10.10| Show InChI InChI=1S/C27H28N4O2/c1-30(2)17-18-9-8-12-21(15-18)28-25(19-10-6-5-7-11-19)24-22-14-13-20(27(33)31(3)4)16-23(22)29-26(24)32/h5-16,24H,17H2,1-4H3,(H,29,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged MEK5 (unknown origin) expressed in baculovirus expression system incubated for 90 mins by HTS assay |
Eur J Med Chem 178: 530-543 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.057
BindingDB Entry DOI: 10.7270/Q23F4T0G |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591272
(CHEMBL5208956)Show SMILES CN(C(=O)[C@@H]1COC(=O)N1c1cc(cc(C)n1)C(F)(F)F)c1ccc(F)c(C)c1F |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591280
(CHEMBL5205456)Show SMILES CN(C(=O)[C@@H]1COC(=O)N1c1cc(cc(C)n1)C(F)(F)F)c1ccc(F)c(Cl)c1F |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591283
(CHEMBL5190089)Show SMILES CN(C(=O)[C@@H]1[C@H](O)CC(=O)N1c1cc(cc(C)n1)C(F)(F)F)c1ccc(F)c(Cl)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591246
(CHEMBL5175531)Show SMILES CN(C(=O)[C@@H]1CCC(=O)N1c1cc(cc(C)n1)C(F)(F)F)c1cccc(C)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591270
(CHEMBL5176919)Show SMILES CN(C(=O)[C@@H]1COC(=O)N1c1cc(cc(C)n1)C(F)(F)F)c1cccc(C)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591285
(CHEMBL5191330)Show SMILES CN(C(=O)[C@@H]1[C@H](O)[C@H](O)C(=O)N1c1cc(cc(C)n1)C(F)(F)F)c1ccc(F)c(Cl)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591248
(CHEMBL5206992)Show SMILES CN(C(=O)[C@@H]1[C@H](O)CCN1c1nc(C)cc(c1C#N)C(F)(F)F)c1cccc(C)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 7
(Homo sapiens (Human)) | BDBM50508013
(CHEMBL4541479)Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(c2n1)S(C)(=O)=O)C(=O)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C32H40N8O5S/c1-5-45-28-20-22(30(41)39-14-12-23(13-15-39)38-18-16-36(2)17-19-38)10-11-25(28)34-32-33-21-27-29(35-32)40(46(4,43)44)26-9-7-6-8-24(26)31(42)37(27)3/h6-11,20-21,23H,5,12-19H2,1-4H3,(H,33,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of ERK5 in human HeLa cells by KiNativ profiling method |
Eur J Med Chem 178: 530-543 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.057
BindingDB Entry DOI: 10.7270/Q23F4T0G |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591255
(CHEMBL5180095)Show SMILES CC(C)N(C(=O)[C@@H]1CCCN1c1nc(C)cc(c1C#N)C(F)(F)F)c1cccc(C)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591271
(CHEMBL5200410)Show SMILES CN(C(=O)[C@@H]1COC(=O)N1c1cc(cc(C)n1)C(F)(F)F)c1ccc(F)c(C)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591273
(CHEMBL5205799)Show SMILES CN(C(=O)[C@@H]1COC(=O)N1c1cc(cc(C)n1)C(F)(F)F)c1cccc(Cl)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591274
(CHEMBL5184660)Show SMILES CN(C(=O)[C@@H]1COC(=O)N1c1cc(cc(C)n1)C(F)(F)F)c1ccc(F)c(Cl)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591279
(CHEMBL5191696)Show SMILES CN(C(=O)[C@@H]1COC(=O)N1c1cc(cc(C)n1)C(F)(F)F)c1cccc(Cl)c1F |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591284
(CHEMBL5171679)Show SMILES CCN(C(=O)[C@@H]1[C@H](O)[C@H](O)C(=O)N1c1cc(cc(C)n1)C(F)(F)F)c1ccc(F)c(Cl)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591251
(CHEMBL5206829)Show SMILES CN(C(=O)[C@@H]1C[C@H](O)CN1c1nc(C)cc(c1C#N)C(F)(F)F)c1cccc(C)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591277
(CHEMBL5174463)Show SMILES CN(C(=O)[C@@H]1COC(=O)N1c1cc(cc(C)n1)C(F)(F)F)c1cc(Cl)ccc1F |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591281
(CHEMBL5205767)Show SMILES CN(C(=O)[C@@H]1C[C@H](O)C(=O)N1c1cc(cc(C)n1)C(F)(F)F)c1ccc(F)c(Cl)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591252
(CHEMBL5192847)Show SMILES CCN(C(=O)[C@@H]1C[C@H](O)CN1c1nc(C)cc(c1C#N)C(F)(F)F)c1cccc(C)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591258
(CHEMBL5173746)Show SMILES CCN(C(=O)[C@H](C)Nc1nc(C)cc(c1C#N)C(F)(F)F)c1cccc(C)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591278
(CHEMBL5205617)Show SMILES CN(C(=O)[C@@H]1COC(=O)N1c1cc(cc(C)n1)C(F)(F)F)c1cc(Cl)c(F)cc1F |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591276
(CHEMBL5195012)Show SMILES CC(C)N(C(=O)[C@@H]1COC(=O)N1c1cc(cc(C)n1)C(F)(F)F)c1ccc(F)c(Cl)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591259
(CHEMBL5186256)Show SMILES CCN(C(=O)[C@H](C)Nc1nc(C)cc(C(C)C)c1C#N)c1cccc(C)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591275
(CHEMBL5186606)Show SMILES CCN(C(=O)[C@@H]1COC(=O)N1c1cc(cc(C)n1)C(F)(F)F)c1ccc(F)c(Cl)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 7
(Homo sapiens (Human)) | BDBM50434072
(CHEMBL2381342)Show SMILES CN(C)Cc1cccc(c1)N=C(C1C(=O)Nc2cc(ccc12)C(=O)N(C)C)c1ccccc1 |w:10.10| Show InChI InChI=1S/C27H28N4O2/c1-30(2)17-18-9-8-12-21(15-18)28-25(19-10-6-5-7-11-19)24-22-14-13-20(27(33)31(3)4)16-23(22)29-26(24)32/h5-16,24H,17H2,1-4H3,(H,29,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged ERK5 (unknown origin) expressed in baculovirus expression system incubated for 90 mins by HTS assay |
Eur J Med Chem 178: 530-543 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.057
BindingDB Entry DOI: 10.7270/Q23F4T0G |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591247
(CHEMBL5206124)Show SMILES CN(C(=O)[C@@H]1[C@@H](O)CCN1c1nc(C)cc(c1C#N)C(F)(F)F)c1cccc(C)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591256
(CHEMBL5182333)Show SMILES CCN(C(=O)[C@@H]1CCCN1c1nc(C)cc(C)c1C#N)c1cccc(C)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591253
(CHEMBL5174548)Show SMILES CCN(C(=O)[C@H](CO)Nc1nc(C)cc(c1C#N)C(F)(F)F)c1cccc(C)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591282
(CHEMBL5208232)Show SMILES CCN(C(=O)[C@@H]1C[C@H](O)C(=O)N1c1cc(cc(C)n1)C(F)(F)F)c1ccc(F)c(Cl)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591249
(CHEMBL5170837)Show SMILES CN(C(=O)[C@@H]1C[C@@H](O)CN1c1nc(C)cc(c1C#N)C(F)(F)F)c1cccc(C)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591260
(CHEMBL5170980)Show SMILES CCN(C(=O)[C@H](C)Nc1nc(C)cc(C)c1C#N)c1cccc(C)c1 |r| | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
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UniChem
| Article
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| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 7
(Homo sapiens (Human)) | BDBM50337134
(2-((2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl)ami...)Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1 Show InChI InChI=1S/C26H30N6O3/c1-4-35-23-15-17(32-13-11-18(33)12-14-32)9-10-20(23)28-26-27-16-22-24(29-26)30(2)21-8-6-5-7-19(21)25(34)31(22)3/h5-10,15-16,18,33H,4,11-14H2,1-3H3,(H,27,28,29) | PDB
UniProtKB/SwissProt
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MCE
PC cid
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PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of ERK5 in human HeLa cells incubated for 15 mins prior to ATP addition by KiNativ profiling method |
Eur J Med Chem 178: 530-543 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.057
BindingDB Entry DOI: 10.7270/Q23F4T0G |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50516392
(CHEMBL4526143)Show InChI InChI=1S/C18H14FN3O2/c19-15-4-2-1-3-14(15)17(23)13-9-16(21-11-13)18(24)22-10-12-5-7-20-8-6-12/h1-9,11,21H,10H2,(H,22,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminal GST-tagged full length human p38alpha expressed in Escherichia coli cells assessed as substrate phosphorylation ... |
Eur J Med Chem 178: 530-543 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.057
BindingDB Entry DOI: 10.7270/Q23F4T0G |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591265
(CHEMBL5188870)Show SMILES CCN(C(=O)COc1nc(C)c(Br)c(c1C#N)C(F)(F)F)c1cccc(C)c1 | PDB
KEGG
UniProtKB/SwissProt
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| PC cid
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UniChem
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| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591262
(CHEMBL5186419) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591268
(CHEMBL5182311)Show SMILES CCN(C(=O)COc1nc(C)cc(c1C#N)C(F)(F)F)c1cccc(C)c1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591263
(CHEMBL5180697)Show SMILES CCN(C(=O)COc1cc(cc(C)n1)C(F)(F)F)c1cccc(C)c1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50516390
(CHEMBL4449117)Show SMILES Fc1cccc(F)c1C(=O)c1c[nH]c(c1)C(=O)NCc1ccncc1 Show InChI InChI=1S/C18H13F2N3O2/c19-13-2-1-3-14(20)16(13)17(24)12-8-15(22-10-12)18(25)23-9-11-4-6-21-7-5-11/h1-8,10,22H,9H2,(H,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminal GST-tagged full length human p38alpha expressed in Escherichia coli cells assessed as substrate phosphorylation ... |
Eur J Med Chem 178: 530-543 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.057
BindingDB Entry DOI: 10.7270/Q23F4T0G |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 7
(Homo sapiens (Human)) | BDBM50516381
(CHEMBL4557683)Show SMILES Fc1cccc(Cl)c1C(=O)c1c[nH]c(c1)C(=O)Nc1ccncc1 Show InChI InChI=1S/C17H11ClFN3O2/c18-12-2-1-3-13(19)15(12)16(23)10-8-14(21-9-10)17(24)22-11-4-6-20-7-5-11/h1-9,21H,(H,20,22,24) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminal His-tagged human ERK5 (2 to 409 residues) co-expressed with GST-tagged human truncated MEK5DD lacking N-terminal... |
Eur J Med Chem 178: 530-543 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.057
BindingDB Entry DOI: 10.7270/Q23F4T0G |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 7
(Homo sapiens (Human)) | BDBM50516388
(CHEMBL4453232)Show SMILES Fc1cccc(Cl)c1C(=O)c1c[nH]c(c1)C(=O)Nc1cccnc1 Show InChI InChI=1S/C17H11ClFN3O2/c18-12-4-1-5-13(19)15(12)16(23)10-7-14(21-8-10)17(24)22-11-3-2-6-20-9-11/h1-9,21H,(H,22,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminal His-tagged human ERK5 (2 to 409 residues) co-expressed with GST-tagged human truncated MEK5DD lacking N-terminal... |
Eur J Med Chem 178: 530-543 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.057
BindingDB Entry DOI: 10.7270/Q23F4T0G |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591267
(CHEMBL5173309)Show SMILES CCN(C(=O)COc1nc(C)c(Cl)c(C)c1C#N)c1cccc(C)c1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 7
(Homo sapiens (Human)) | BDBM50516389
(CHEMBL4527483)Show SMILES Fc1cccc(Br)c1C(=O)c1c[nH]c(c1)C(=O)Nc1ccncc1 Show InChI InChI=1S/C17H11BrFN3O2/c18-12-2-1-3-13(19)15(12)16(23)10-8-14(21-9-10)17(24)22-11-4-6-20-7-5-11/h1-9,21H,(H,20,22,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminal His-tagged human ERK5 (2 to 409 residues) co-expressed with GST-tagged human truncated MEK5DD lacking N-terminal... |
Eur J Med Chem 178: 530-543 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.057
BindingDB Entry DOI: 10.7270/Q23F4T0G |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 7
(Homo sapiens (Human)) | BDBM50516382
(CHEMBL4436895)Show SMILES Fc1cccc(Br)c1C(=O)c1c[nH]c(c1)C(=O)Nc1cccnc1 Show InChI InChI=1S/C17H11BrFN3O2/c18-12-4-1-5-13(19)15(12)16(23)10-7-14(21-8-10)17(24)22-11-3-2-6-20-9-11/h1-9,21H,(H,22,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 820 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminal His-tagged human ERK5 (2 to 409 residues) co-expressed with GST-tagged human truncated MEK5DD lacking N-terminal... |
Eur J Med Chem 178: 530-543 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.057
BindingDB Entry DOI: 10.7270/Q23F4T0G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 7
(Homo sapiens (Human)) | BDBM50516386
(CHEMBL4443724)Show SMILES Fc1cccc(F)c1C(=O)c1c[nH]c(c1)C(=O)Nc1ccncc1 Show InChI InChI=1S/C17H11F2N3O2/c18-12-2-1-3-13(19)15(12)16(23)10-8-14(21-9-10)17(24)22-11-4-6-20-7-5-11/h1-9,21H,(H,20,22,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminal His-tagged human ERK5 (2 to 409 residues) co-expressed with GST-tagged human truncated MEK5DD lacking N-terminal... |
Eur J Med Chem 178: 530-543 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.057
BindingDB Entry DOI: 10.7270/Q23F4T0G |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 7
(Homo sapiens (Human)) | BDBM50516387
(CHEMBL4515859)Show SMILES Fc1cccc(F)c1C(=O)c1c[nH]c(c1)C(=O)Nc1cccnc1 Show InChI InChI=1S/C17H11F2N3O2/c18-12-4-1-5-13(19)15(12)16(23)10-7-14(21-8-10)17(24)22-11-3-2-6-20-9-11/h1-9,21H,(H,22,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminal His-tagged human ERK5 (2 to 409 residues) co-expressed with GST-tagged human truncated MEK5DD lacking N-terminal... |
Eur J Med Chem 178: 530-543 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.057
BindingDB Entry DOI: 10.7270/Q23F4T0G |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591266
(CHEMBL5196469)Show SMILES CCN(C(=O)COc1nc(C)c(Br)c(C)c1C#N)c1cccc(C)c1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
DNA polymerase theta
(Homo sapiens) | BDBM50591261
(CHEMBL5192479) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01142
BindingDB Entry DOI: 10.7270/Q2Z03D46 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 7
(Homo sapiens (Human)) | BDBM50516380
(CHEMBL4443714)Show SMILES Clc1cccc(C(=O)c2c[nH]c(c2)C(=O)NCc2ccncc2)c1Cl Show InChI InChI=1S/C18H13Cl2N3O2/c19-14-3-1-2-13(16(14)20)17(24)12-8-15(22-10-12)18(25)23-9-11-4-6-21-7-5-11/h1-8,10,22H,9H2,(H,23,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of ERK5 (unknown origin) using R7129 as substrate incubated for 2 hrs by IMAP fluorescence polarization analysis |
Eur J Med Chem 178: 530-543 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.057
BindingDB Entry DOI: 10.7270/Q23F4T0G |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 7
(Homo sapiens (Human)) | BDBM50516381
(CHEMBL4557683)Show SMILES Fc1cccc(Cl)c1C(=O)c1c[nH]c(c1)C(=O)Nc1ccncc1 Show InChI InChI=1S/C17H11ClFN3O2/c18-12-2-1-3-13(19)15(12)16(23)10-8-14(21-9-10)17(24)22-11-4-6-20-7-5-11/h1-9,21H,(H,20,22,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of HA-tagged ERK5 (unknown origin) coexpressed with mutationally activated EGFP-MEK5D and Gal4-MEF2D in HEK293 cells assessed as reduction... |
Eur J Med Chem 178: 530-543 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.057
BindingDB Entry DOI: 10.7270/Q23F4T0G |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50516394
(CHEMBL4458451)Show SMILES Fc1cccc(C(=O)c2c[nH]c(c2)C(=O)NCc2ccncc2)c1F Show InChI InChI=1S/C18H13F2N3O2/c19-14-3-1-2-13(16(14)20)17(24)12-8-15(22-10-12)18(25)23-9-11-4-6-21-7-5-11/h1-8,10,22H,9H2,(H,23,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminal GST-tagged full length human p38alpha expressed in Escherichia coli cells assessed as substrate phosphorylation ... |
Eur J Med Chem 178: 530-543 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.057
BindingDB Entry DOI: 10.7270/Q23F4T0G |
More data for this
Ligand-Target Pair | |
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