BDBM44536 4-[4-[3-(dimethylamino)-2-hydroxy-propoxy]phenyl]benzonitrile::4-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]benzonitrile::4-[4-[3-(dimethylamino)-2-oxidanyl-propoxy]phenyl]benzenecarbonitrile::MLS000077530::SMR000041957::cid_661384

SMILES: CN(C)CC(O)COc1ccc(cc1)-c1ccc(cc1)C#N

InChI Key: InChIKey=BXWCXXAEFHAIBQ-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 = 44536   

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
Chain B, Rna Aptamer Complexed With Hiv-1 Rev Peptide, Nmr, 7 Structures (Human immunodeficiency virus 1)	BDBM44536 (4-[4-[3-(dimethylamino)-2-hydroxy-propoxy]phenyl]b...) Show SMILES CN(C)CC(O)COc1ccc(cc1)-c1ccc(cc1)C#N Show InChI InChI=1S/C18H20N2O2/c1-20(2)12-17(21)13-22-18-9-7-16(8-10-18)15-5-3-14(11-19)4-6-15/h3-10,17,21H,12-13H2,1-2H3	GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>7.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2DN43GX
					More data for this Ligand-Target Pair