BDBM29024 CHEMBL141732::cyanocyclopropylpropenamide, 4
SMILES: FC(F)(F)c1ccc(NC(=O)C(C#N)C(=O)C2CC2)cc1
InChI Key: InChIKey=IHKAHKDEGXLVIY-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 |
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Dihydroorotate dehydrogenase (Homo sapiens (Human)) | BDBM29024 (CHEMBL141732 | cyanocyclopropylpropenamide, 4) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 14 | n/a | 117 | 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)) | BDBM29024 (CHEMBL141732 | cyanocyclopropylpropenamide, 4) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.10E+4 | -6.76 | 9.25E+4 | 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) | ||||||||||||
Dihydroorotate Dehydrogenase (DHODH) (Rattus norvegicus (rat)) | BDBM29024 (CHEMBL141732 | cyanocyclopropylpropenamide, 4) | 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 | 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 | |||||||||||||
Dihydroorotate dehydrogenase (Mus musculus) | BDBM29024 (CHEMBL141732 | cyanocyclopropylpropenamide, 4) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 47 | 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)) | BDBM29024 (CHEMBL141732 | cyanocyclopropylpropenamide, 4) | 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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Tunghai University Curated by ChEMBL | Assay Description Inhibition of rat DHODH | Bioorg Med Chem Lett 16: 6024-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.125 BindingDB Entry DOI: 10.7270/Q2MS3SFM | |||||||||||
More data for this Ligand-Target Pair |