BDBM29026 CHEMBL142996::cyanocyclopropylpropenamide, 11
SMILES: O=C(Nc1ccc(cc1)-c1ccccc1)C(C#N)C(=O)C1CC1
InChI Key: InChIKey=DIIHYLMEQKHUBY-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 (Homo sapiens (Human)) | BDBM29026![]() (CHEMBL142996 | cyanocyclopropylpropenamide, 11) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | CHEBI CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 7 | n/a | 53 | 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 | ![]() 3D Structure (crystal) | ||||||||||||
Dihydroorotate dehydrogenase (quinone), mitochondrial (Plasmodium falciparum (isolate 3D7)) | BDBM29026![]() (CHEMBL142996 | cyanocyclopropylpropenamide, 11) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEBI CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 2.60E+4 | -6.25 | 2.24E+5 | 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)) | BDBM29026![]() (CHEMBL142996 | cyanocyclopropylpropenamide, 11) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | CHEBI CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel Inc 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 | ![]() 3D Structure (crystal) | ||||||||||||
Dihydroorotate dehydrogenase (Mus musculus) | BDBM29026![]() (CHEMBL142996 | cyanocyclopropylpropenamide, 11) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | CHEBI CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoechst Marion Roussel Inc 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 | ![]() 3D Structure (crystal) |