BDBM50195851 CHEMBL223007::NSC-224124

SMILES: NC(=O)OCC1=C(COC(N)=O)C(=O)c2c(O)ccc(O)c2C1=O

InChI Key: InChIKey=UBGXTWNFKIDHRB-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50195851   

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
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human))	BDBM50195851 (CHEMBL223007 | NSC-224124) Show SMILES NC(=O)OCC1=C(COC(N)=O)C(=O)c2c(O)ccc(O)c2C1=O |c:5| Show InChI InChI=1S/C14H12N2O8/c15-13(21)23-3-5-6(4-24-14(16)22)12(20)10-8(18)2-1-7(17)9(10)11(5)19/h1-2,17-18H,3-4H2,(H2,15,21)(H2,16,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO1				Bioorg Med Chem Lett 16: 6246-54 (2006) Article DOI: 10.1016/j.bmcl.2006.09.015 BindingDB Entry DOI: 10.7270/Q2V988WG
					More data for this Ligand-Target Pair