BDBM29031 cyanohydroxybutenamide, 21

SMILES: CC(=O)C(C#N)C(=O)Nc1ccc(cc1Cl)-c1c(Cl)cccc1Cl

InChI Key: InChIKey=GALRKEBJYLVKQJ-UHFFFAOYSA-N

Data: 2 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 29031   

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 (Plasmodium falciparum (isolate 3D7))	BDBM29031 (cyanohydroxybutenamide, 21) Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1Cl)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C17H11Cl3N2O2/c1-9(23)11(8-21)17(24)22-15-6-5-10(7-14(15)20)16-12(18)3-2-4-13(16)19/h2-7,11H,1H3,(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	-8.07	1.02E+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 (Homo sapiens (Human))	BDBM29031 (cyanohydroxybutenamide, 21) Show SMILES CC(=O)C(C#N)C(=O)Nc1ccc(cc1Cl)-c1c(Cl)cccc1Cl Show InChI InChI=1S/C17H11Cl3N2O2/c1-9(23)11(8-21)17(24)22-15-6-5-10(7-14(15)20)16-12(18)3-2-4-13(16)19/h2-7,11H,1H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	1.65E+4	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