BDBM50150964 CHEMBL3770358

SMILES: CC(O)=O.CC(C)(C)c1ccc(cc1)-c1ccc(o1)-c1ccc(cc1)C(N)=N

InChI Key: InChIKey=LFPZSPQUQMLABY-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 = 50150964   

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))	BDBM50150964 (CHEMBL3770358) Show SMILES CC(O)=O.CC(C)(C)c1ccc(cc1)-c1ccc(o1)-c1ccc(cc1)C(N)=N Show InChI InChI=1S/C21H22N2O.C2H4O2/c1-21(2,3)17-10-8-15(9-11-17)19-13-12-18(24-19)14-4-6-16(7-5-14)20(22)23;1-2(3)4/h4-13H,1-3H3,(H3,22,23);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	510	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))	BDBM50150964 (CHEMBL3770358) Show SMILES CC(O)=O.CC(C)(C)c1ccc(cc1)-c1ccc(o1)-c1ccc(cc1)C(N)=N Show InChI InChI=1S/C21H22N2O.C2H4O2/c1-21(2,3)17-10-8-15(9-11-17)19-13-12-18(24-19)14-4-6-16(7-5-14)20(22)23;1-2(3)4/h4-13H,1-3H3,(H3,22,23);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	712	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