null

SMILES: NCCO.CNC(=O)c1cccc2cc(CCc3c([nH]c(=O)[nH]c3=O)C(O)=O)ccc12

InChI Key: InChIKey=IJDUPVVIUJCKPT-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50211707   

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))	BDBM50211707 (CHEMBL3947426) Show SMILES NCCO.CNC(=O)c1cccc2cc(CCc3c([nH]c(=O)[nH]c3=O)C(O)=O)ccc12 Show InChI InChI=1S/C19H17N3O5/c1-20-16(23)13-4-2-3-11-9-10(5-7-12(11)13)6-8-14-15(18(25)26)21-19(27)22-17(14)24/h2-5,7,9H,6,8H2,1H3,(H,20,23)(H,25,26)(H2,21,22,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.49E+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))	BDBM50211707 (CHEMBL3947426) Show SMILES NCCO.CNC(=O)c1cccc2cc(CCc3c([nH]c(=O)[nH]c3=O)C(O)=O)ccc12 Show InChI InChI=1S/C19H17N3O5/c1-20-16(23)13-4-2-3-11-9-10(5-7-12(11)13)6-8-14-15(18(25)26)21-19(27)22-17(14)24/h2-5,7,9H,6,8H2,1H3,(H,20,23)(H,25,26)(H2,21,22,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	297	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