BDBM50211718 CHEMBL3980064

SMILES: NCCO.COC(=O)c1ccccc1-n1cc(nn1)-c1c([nH]c(=O)[nH]c1=O)C(O)=O

InChI Key: InChIKey=ZNIZYPRPABPBCQ-UHFFFAOYSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50211718   

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 (Homo sapiens (Human))	BDBM50211718 (CHEMBL3980064) Show SMILES NCCO.COC(=O)c1ccccc1-n1cc(nn1)-c1c([nH]c(=O)[nH]c1=O)C(O)=O Show InChI InChI=1S/C15H11N5O6/c1-26-14(24)7-4-2-3-5-9(7)20-6-8(18-19-20)10-11(13(22)23)16-15(25)17-12(10)21/h2-6H,1H3,(H,22,23)(H2,16,17,21,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.50E+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 (Homo sapiens (Human))	BDBM50211718 (CHEMBL3980064) Show SMILES NCCO.COC(=O)c1ccccc1-n1cc(nn1)-c1c([nH]c(=O)[nH]c1=O)C(O)=O Show InChI InChI=1S/C15H11N5O6/c1-26-14(24)7-4-2-3-5-9(7)20-6-8(18-19-20)10-11(13(22)23)16-15(25)17-12(10)21/h2-6H,1H3,(H,22,23)(H2,16,17,21,25)	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	>500	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