BDBM50054587 (Z)-2-Cyano-N-(4-cyano-phenyl)-3-cyclopropyl-3-hydroxy-acrylamide::Alpha-cyano-beta-hydroxy enamide, 6::CHEMBL141195
SMILES: O=C(Nc1ccc(cc1)C#N)C(C#N)C(=O)C1CC1
InChI Key: InChIKey=GSSLQBZZKKOMAF-UHFFFAOYSA-N
Data: 4 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 (Homo sapiens (Human)) | BDBM50054587 ((Z)-2-Cyano-N-(4-cyano-phenyl)-3-cyclopropyl-3-hyd...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a | |
NOVARTIS Pharma, Inc. | Assay Description Spectrophotometric assay using crude human, recombinant DHODHase. | Bioorg Chem 25: 233-238 (1997) BindingDB Entry DOI: 10.7270/Q2W37TVH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7)) | BDBM50054587 ((Z)-2-Cyano-N-(4-cyano-phenyl)-3-cyclopropyl-3-hyd...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 7.08E+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 (Mus musculus) | BDBM50054587 ((Z)-2-Cyano-N-(4-cyano-phenyl)-3-cyclopropyl-3-hyd...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 42 | 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 (DHODH) (Rattus norvegicus (rat)) | BDBM50054587 ((Z)-2-Cyano-N-(4-cyano-phenyl)-3-cyclopropyl-3-hyd...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 53 | 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 |