null

SMILES: NCCO.NCCO.OC(=O)c1ccc(CCc2c([nH]c(=O)[nH]c2=O)C(O)=O)cc1

InChI Key: InChIKey=PNLOMGJPSAQPET-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50211692   

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 (Homo sapiens (Human))	BDBM50211692 (CHEMBL3944370) Show SMILES NCCO.NCCO.OC(=O)c1ccc(CCc2c([nH]c(=O)[nH]c2=O)C(O)=O)cc1 Show InChI InChI=1S/C14H12N2O6/c17-11-9(10(13(20)21)15-14(22)16-11)6-3-7-1-4-8(5-2-7)12(18)19/h1-2,4-5H,3,6H2,(H,18,19)(H,20,21)(H2,15,16,17,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	>1.25E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...				Bioorg Med Chem 25: 1465-1470 (2017) Article DOI: 10.1016/j.bmc.2017.01.009 BindingDB Entry DOI: 10.7270/Q2CC12TS
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50211692 (CHEMBL3944370) Show SMILES NCCO.NCCO.OC(=O)c1ccc(CCc2c([nH]c(=O)[nH]c2=O)C(O)=O)cc1 Show InChI InChI=1S/C14H12N2O6/c17-11-9(10(13(20)21)15-14(22)16-11)6-3-7-1-4-8(5-2-7)12(18)19/h1-2,4-5H,3,6H2,(H,18,19)(H,20,21)(H2,15,16,17,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>250	n/a	n/a	n/a	n/a	n/a	n/a
Nagasaki University Curated by ChEMBL					Assay Description Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...				Bioorg Med Chem 25: 1465-1470 (2017) Article DOI: 10.1016/j.bmc.2017.01.009 BindingDB Entry DOI: 10.7270/Q2CC12TS
					More data for this Ligand-Target Pair