null

SMILES: NCCO.CC(C)(C)OC(=O)N1CCc2cc(CCc3c([nH]c(=O)[nH]c3=O)C(O)=O)ccc12

InChI Key: InChIKey=LMLPIUXNXKWZHD-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50211701   

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))	BDBM50211701 (CHEMBL3976207) Show SMILES NCCO.CC(C)(C)OC(=O)N1CCc2cc(CCc3c([nH]c(=O)[nH]c3=O)C(O)=O)ccc12 Show InChI InChI=1S/C20H23N3O6/c1-20(2,3)29-19(28)23-9-8-12-10-11(5-7-14(12)23)4-6-13-15(17(25)26)21-18(27)22-16(13)24/h5,7,10H,4,6,8-9H2,1-3H3,(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	1.95E+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))	BDBM50211701 (CHEMBL3976207) Show SMILES NCCO.CC(C)(C)OC(=O)N1CCc2cc(CCc3c([nH]c(=O)[nH]c3=O)C(O)=O)ccc12 Show InChI InChI=1S/C20H23N3O6/c1-20(2,3)29-19(28)23-9-8-12-10-11(5-7-14(12)23)4-6-13-15(17(25)26)21-18(27)22-16(13)24/h5,7,10H,4,6,8-9H2,1-3H3,(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	389	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