null

SMILES: NCCO.OC(=O)c1[nH]c(=O)[nH]c(=O)c1CCc1ccc2cccc(NC(=O)c3ccccc3)c2c1

InChI Key: InChIKey=LNVBLWFZVSQYDJ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50211720   

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))	BDBM50211720 (CHEMBL3942246) Show SMILES NCCO.OC(=O)c1[nH]c(=O)[nH]c(=O)c1CCc1ccc2cccc(NC(=O)c3ccccc3)c2c1 Show InChI InChI=1S/C24H19N3O5/c28-21(16-5-2-1-3-6-16)25-19-8-4-7-15-11-9-14(13-18(15)19)10-12-17-20(23(30)31)26-24(32)27-22(17)29/h1-9,11,13H,10,12H2,(H,25,28)(H,30,31)(H2,26,27,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.62E+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))	BDBM50211720 (CHEMBL3942246) Show SMILES NCCO.OC(=O)c1[nH]c(=O)[nH]c(=O)c1CCc1ccc2cccc(NC(=O)c3ccccc3)c2c1 Show InChI InChI=1S/C24H19N3O5/c28-21(16-5-2-1-3-6-16)25-19-8-4-7-15-11-9-14(13-18(15)19)10-12-17-20(23(30)31)26-24(32)27-22(17)29/h1-9,11,13H,10,12H2,(H,25,28)(H,30,31)(H2,26,27,29,32)	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	524	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