Found 2 hits in this display 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 |
|---|
Polyunsaturated fatty acid lipoxygenase ALOX15B
(Rattus norvegicus) | BDBM50528935
(CHEMBL4579109)Show SMILES Nc1nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc3cc(ccc3CC(O)=O)C#N)c2c(=O)[nH]1 Show InChI InChI=1S/C23H18N6O4/c24-10-13-3-6-15(9-18(30)31)17(8-13)27-21(32)14-4-1-12(2-5-14)7-16-11-26-20-19(16)22(33)29-23(25)28-20/h1-6,8,11H,7,9H2,(H,27,32)(H,30,31)(H4,25,26,28,29,33) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged TS using dUMP and 5,10-methylenetetrahydrofolate as substrate by spectrometry |
Eur J Med Chem 183: (2019)
Article DOI: 10.1016/j.ejmech.2019.111673
BindingDB Entry DOI: 10.7270/Q29Z98B8 |
More data for this
Ligand-Target Pair | |
Bifunctional dihydrofolate reductase-thymidylate synthase
(Cryptosporidium hominis) | BDBM50528935
(CHEMBL4579109)Show SMILES Nc1nc2[nH]cc(Cc3ccc(cc3)C(=O)Nc3cc(ccc3CC(O)=O)C#N)c2c(=O)[nH]1 Show InChI InChI=1S/C23H18N6O4/c24-10-13-3-6-15(9-18(30)31)17(8-13)27-21(32)14-4-1-12(2-5-14)7-16-11-26-20-19(16)22(33)29-23(25)28-20/h1-6,8,11H,7,9H2,(H,27,32)(H,30,31)(H4,25,26,28,29,33) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Cryptosporidium hominis TS-DHFR expresssed in Escherichia coli PA414 using dUMP and 5,10-methylenetetrahydrofolate as subst... |
Eur J Med Chem 183: (2019)
Article DOI: 10.1016/j.ejmech.2019.111673
BindingDB Entry DOI: 10.7270/Q29Z98B8 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |