BDBM50130937 DEXOXADROL::Dexoxadrol::Dioxadrol

SMILES: [H][C@@]1(COC(O1)(c1ccccc1)c1ccccc1)[C@]1([H])CCCCN1

InChI Key: InChIKey=HGKAMARNFGKMLC-RBUKOAKNSA-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 = 50130937   

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
NR1/NR2A (Homo sapiens (Human))	BDBM50130937 (DEXOXADROL | Dexoxadrol | Dioxadrol) Show SMILES [H][C@@]1(COC(O1)(c1ccccc1)c1ccccc1)[C@]1([H])CCCCN1 |r| Show InChI InChI=1S/C20H23NO2/c1-3-9-16(10-4-1)20(17-11-5-2-6-12-17)22-15-19(23-20)18-13-7-8-14-21-18/h1-6,9-12,18-19,21H,7-8,13-15H2/t18-,19+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Camerino Curated by ChEMBL					Assay Description Inhibition of [3H]-U-69,593 binding to Opioid receptor kappa 1				J Med Chem 58: 8601-15 (2015) BindingDB Entry DOI: 10.7270/Q2GM894Q
					More data for this Ligand-Target Pair