BDBM29028 cyanohydroxybutenamide, 18
SMILES: CC(=O)C(C#N)C(=O)Nc1ccc(cc1C(F)(F)F)-c1ccccc1Cl
InChI Key: InChIKey=BLYQMOIAQKSNEI-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human)) | BDBM29028 (cyanohydroxybutenamide, 18) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 21 | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Leeds | Assay Description The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect... | J Med Chem 52: 2683-93 (2009) Article DOI: 10.1021/jm800963t BindingDB Entry DOI: 10.7270/Q2PN93ZK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7)) | BDBM29028 (cyanohydroxybutenamide, 18) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 730 | -8.37 | 6.20E+3 | n/a | n/a | n/a | n/a | 8.0 | 25 |
University of Leeds | Assay Description The assays were carried out by using a colorimetric DCIP method, which uses the colorimetric reagent 2, 6-dichlorophenolindophenol as the final elect... | J Med Chem 52: 2683-93 (2009) Article DOI: 10.1021/jm800963t BindingDB Entry DOI: 10.7270/Q2PN93ZK | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |