BDBM86232 Benoxathian::CAS_2325::NSC_2325

SMILES: COc1cccc(OC)c1OCCNCC1CSc2ccccc2O1

InChI Key: InChIKey=QAUVAHYHKLRJCQ-UHFFFAOYSA-N

Data: 1 KI

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 = 86232   

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
adrenergic Alpha2 (RAT)	BDBM86232 (Benoxathian | CAS_2325 | NSC_2325) Show SMILES COc1cccc(OC)c1OCCNCC1CSc2ccccc2O1 Show InChI InChI=1S/C19H23NO4S/c1-21-16-7-5-8-17(22-2)19(16)23-11-10-20-12-14-13-25-18-9-4-3-6-15(18)24-14/h3-9,14,20H,10-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by PDSP Ki Database									Life Sci 73: 371-9 (2003) Article DOI: 10.1016/s0024-3205(03)00272-8 BindingDB Entry DOI: 10.7270/Q2KD1WHW
					More data for this Ligand-Target Pair