BDBM50054557 (Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-nitro-phenyl)-acrylamide::CHEMBL344556
SMILES: [O-][N+](=O)c1ccc(NC(=O)C(=C=[N-])C(=[OH+])C2CC2)cc1
InChI Key: InChIKey=QHPPLTUFMYEUSN-UHFFFAOYSA-O
Data: 3 IC50
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 (Mus musculus) | BDBM50054557 ((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-nitro-phe...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel Curated by ChEMBL | Assay Description Inhibitory concentration tested on enzyme dihydroorotate dehydrogenase in mouse | J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7)) | BDBM50054557 ((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-nitro-phe...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article | n/a | n/a | 5.37E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of Plasmodium falciparum HIs6-tagged DHODH expressed in Escherichia coli DH5alpha using L-dihydroorotate as substrate by DCIP-based spectr... | Citation and Details Article DOI: 10.1007/s00044-010-9323-4 BindingDB Entry DOI: 10.7270/Q2JQ13W3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydroorotate Dehydrogenase (DHODH) (Rattus norvegicus (rat)) | BDBM50054557 ((Z)-2-Cyano-3-cyclopropyl-3-hydroxy-N-(4-nitro-phe...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL KEGG 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 |
Hoechst Marion Roussel Curated by ChEMBL | Assay Description Inhibitory concentration tested against enzyme dihydroorotate dehydrogenase in rat | J Med Chem 39: 4608-21 (1996) Article DOI: 10.1021/jm9604437 BindingDB Entry DOI: 10.7270/Q20G3KSX | |||||||||||
More data for this Ligand-Target Pair |