BDBM50212056 CHEMBL3960727

SMILES: NCCO.COC(=O)c1ccc2cc(CCc3c([nH]c(=O)[nH]c3=O)C(O)=O)ccc2c1

InChI Key: InChIKey=CSJUEBHIWIFLHU-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 = 50212056   

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))	BDBM50212056 (CHEMBL3960727) Show SMILES NCCO.COC(=O)c1ccc2cc(CCc3c([nH]c(=O)[nH]c3=O)C(O)=O)ccc2c1 Show InChI InChI=1S/C19H16N2O6/c1-27-18(25)13-6-5-11-8-10(2-4-12(11)9-13)3-7-14-15(17(23)24)20-19(26)21-16(14)22/h2,4-6,8-9H,3,7H2,1H3,(H,23,24)(H2,20,21,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.88E+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))	BDBM50212056 (CHEMBL3960727) Show SMILES NCCO.COC(=O)c1ccc2cc(CCc3c([nH]c(=O)[nH]c3=O)C(O)=O)ccc2c1 Show InChI InChI=1S/C19H16N2O6/c1-27-18(25)13-6-5-11-8-10(2-4-12(11)9-13)3-7-14-15(17(23)24)20-19(26)21-16(14)22/h2,4-6,8-9H,3,7H2,1H3,(H,23,24)(H2,20,21,22,26)	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	78	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