BDBM50211947 CHEMBL3901641

SMILES: NCCO.COC(=O)c1cccc(CCCCc2c([nH]c(=O)[nH]c2=O)C(O)=O)c1

InChI Key: InChIKey=WMZJVSMKFZLEDX-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 = 50211947   

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))	BDBM50211947 (CHEMBL3901641) Show SMILES NCCO.COC(=O)c1cccc(CCCCc2c([nH]c(=O)[nH]c2=O)C(O)=O)c1 Show InChI InChI=1S/C17H18N2O6/c1-25-16(23)11-7-4-6-10(9-11)5-2-3-8-12-13(15(21)22)18-17(24)19-14(12)20/h4,6-7,9H,2-3,5,8H2,1H3,(H,21,22)(H2,18,19,20,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.35E+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 (Homo sapiens (Human))	BDBM50211947 (CHEMBL3901641) Show SMILES NCCO.COC(=O)c1cccc(CCCCc2c([nH]c(=O)[nH]c2=O)C(O)=O)c1 Show InChI InChI=1S/C17H18N2O6/c1-25-16(23)11-7-4-6-10(9-11)5-2-3-8-12-13(15(21)22)18-17(24)19-14(12)20/h4,6-7,9H,2-3,5,8H2,1H3,(H,21,22)(H2,18,19,20,24)	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	147	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