BDBM50150657 CHEMBL3769865

SMILES: CC(O)=O.Cn1c(ccc1-c1ccc(cc1)C(N)=N)-c1ccccc1

InChI Key: InChIKey=INUJIIXCXQYUDT-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 = 50150657   

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
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50150657 (CHEMBL3769865) Show SMILES CC(O)=O.Cn1c(ccc1-c1ccc(cc1)C(N)=N)-c1ccccc1 Show InChI InChI=1S/C18H17N3.C2H4O2/c1-21-16(13-5-3-2-4-6-13)11-12-17(21)14-7-9-15(10-8-14)18(19)20;1-2(3)4/h2-12H,1H3,(H3,19,20);1H3,(H,3,4)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 using DCPIPas substrate and NRH as cofactor measured for 1 min by spectrophotometry in the absence of BSA				Eur J Med Chem 111: 33-45 (2016) BindingDB Entry DOI: 10.7270/Q2MG7RCQ
					More data for this Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human))	BDBM50150657 (CHEMBL3769865) Show SMILES CC(O)=O.Cn1c(ccc1-c1ccc(cc1)C(N)=N)-c1ccccc1 Show InChI InChI=1S/C18H17N3.C2H4O2/c1-21-16(13-5-3-2-4-6-13)11-12-17(21)14-7-9-15(10-8-14)18(19)20;1-2(3)4/h2-12H,1H3,(H3,19,20);1H3,(H,3,4)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	943	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of human recombinant NQO2 using DCPIPas substrate and NRH as cofactor measured for 1 min by spectrophotometry in the prsence of BSA				Eur J Med Chem 111: 33-45 (2016) BindingDB Entry DOI: 10.7270/Q2MG7RCQ
					More data for this Ligand-Target Pair