null

SMILES: NCCO.COC(=O)c1ccccc1CCCCc1c([nH]c(=O)[nH]c1=O)C(O)=O

InChI Key: InChIKey=CPXPMBAIDOOEHC-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50211696   

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))	BDBM50211696 (CHEMBL3956130) Show SMILES NCCO.COC(=O)c1ccccc1CCCCc1c([nH]c(=O)[nH]c1=O)C(O)=O Show InChI InChI=1S/C17H18N2O6/c1-25-16(23)11-8-4-2-6-10(11)7-3-5-9-12-13(15(21)22)18-17(24)19-14(12)20/h2,4,6,8H,3,5,7,9H2,1H3,(H,21,22)(H2,18,19,20,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.02E+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))	BDBM50211696 (CHEMBL3956130) Show SMILES NCCO.COC(=O)c1ccccc1CCCCc1c([nH]c(=O)[nH]c1=O)C(O)=O Show InChI InChI=1S/C17H18N2O6/c1-25-16(23)11-8-4-2-6-10(11)7-3-5-9-12-13(15(21)22)18-17(24)19-14(12)20/h2,4,6,8H,3,5,7,9H2,1H3,(H,21,22)(H2,18,19,20,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	204	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