null

SMILES: NCCO.NCCO.OC(=O)c1cccc2cc(CCCCc3c([nH]c(=O)[nH]c3=O)C(O)=O)ccc12

InChI Key: InChIKey=AINJADBOFXCKFJ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50211697   

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))	BDBM50211697 (CHEMBL3981004) Show SMILES NCCO.NCCO.OC(=O)c1cccc2cc(CCCCc3c([nH]c(=O)[nH]c3=O)C(O)=O)ccc12 Show InChI InChI=1S/C20H18N2O6/c23-17-15(16(19(26)27)21-20(28)22-17)6-2-1-4-11-8-9-13-12(10-11)5-3-7-14(13)18(24)25/h3,5,7-10H,1-2,4,6H2,(H,24,25)(H,26,27)(H2,21,22,23,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.60E+4	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))	BDBM50211697 (CHEMBL3981004) Show SMILES NCCO.NCCO.OC(=O)c1cccc2cc(CCCCc3c([nH]c(=O)[nH]c3=O)C(O)=O)ccc12 Show InChI InChI=1S/C20H18N2O6/c23-17-15(16(19(26)27)21-20(28)22-17)6-2-1-4-11-8-9-13-12(10-11)5-3-7-14(13)18(24)25/h3,5,7-10H,1-2,4,6H2,(H,24,25)(H,26,27)(H2,21,22,23,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	152	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