BDBM50195854 CHEMBL220517::NSC-102359::cid_3280136

SMILES: CCOP(=O)(Nc1ccc-2c(c1)C(=NNC(N)=S)c1ccccc-21)OCC

InChI Key: InChIKey=SVLUVZOAZMQSLH-UHFFFAOYSA-N

Data: 2 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 = 50195854   

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))	BDBM50195854 (CHEMBL220517 | NSC-102359 | cid_3280136) Show SMILES CCOP(=O)(Nc1ccc-2c(c1)C(=NNC(N)=S)c1ccccc-21)OCC |w:13.14| Show InChI InChI=1S/C18H21N4O3PS/c1-3-24-26(23,25-4-2)22-12-9-10-14-13-7-5-6-8-15(13)17(16(14)11-12)20-21-18(19)27/h5-11H,3-4H2,1-2H3,(H,22,23)(H3,19,21,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+5	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
MSRA protein (Bos taurus)	BDBM50195854 (CHEMBL220517 | NSC-102359 | cid_3280136) Show SMILES CCOP(=O)(Nc1ccc-2c(c1)C(=NNC(N)=S)c1ccccc-21)OCC |w:13.14| Show InChI InChI=1S/C18H21N4O3PS/c1-3-24-26(23,25-4-2)22-12-9-10-14-13-7-5-6-8-15(13)17(16(14)11-12)20-21-18(19)27/h5-11H,3-4H2,1-2H3,(H,22,23)(H3,19,21,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PCBioAssay	n/a	n/a	9.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2639NCQ
					More data for this Ligand-Target Pair