BDBM3739 cid_676066

SMILES: COc1ccccc1N1CCN(CC1)C(=O)c1ccc(o1)[N+]([O-])=O

InChI Key: InChIKey=VLHRWDNJVHFQJR-UHFFFAOYSA-N

Data: 2 EC50

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 = 3739   

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
Vma11p (Saccharomyces cerevisiae S288c)	BDBM3739 (cid_676066) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)c1ccc(o1)[N+]([O-])=O Show InChI InChI=1S/C16H17N3O5/c1-23-13-5-3-2-4-12(13)17-8-10-18(11-9-17)16(20)14-6-7-15(24-14)19(21)22/h2-7H,8-11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.43E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA031666-01A1 Project Title: Flow Cytometry HTS of Small Molecules that Regulate V-ATPa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2B27SW7
					More data for this Ligand-Target Pair
Vma11p (Saccharomyces cerevisiae S288c)	BDBM3739 (cid_676066) Show SMILES COc1ccccc1N1CCN(CC1)C(=O)c1ccc(o1)[N+]([O-])=O Show InChI InChI=1S/C16H17N3O5/c1-23-13-5-3-2-4-12(13)17-8-10-18(11-9-17)16(20)14-6-7-15(24-14)19(21)22/h2-7H,8-11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.05E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1 R03 DA031666-01A1 Project Title: Flow Cytometry HTS of Small Molecules that Regulate V-ATPa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q23N220P
					More data for this Ligand-Target Pair