BDBM50255222 4-(3-(Allylamino)-2-hydroxypropoxy)-9H-xanthen-9-one hydrochloride::CHEMBL482396

SMILES: OC(CNCC=C)COc1cccc2c1oc1ccccc1c2=O

InChI Key: InChIKey=RNEPUWOVSZUZJP-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 = 50255222   

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
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50255222 (4-(3-(Allylamino)-2-hydroxypropoxy)-9H-xanthen-9-o...) Show SMILES OC(CNCC=C)COc1cccc2c1oc1ccccc1c2=O Show InChI InChI=1S/C19H19NO4/c1-2-10-20-11-13(21)12-23-17-9-5-7-15-18(22)14-6-3-4-8-16(14)24-19(15)17/h2-9,13,20-21H,1,10-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	84	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation counting				Bioorg Med Chem 17: 1345-52 (2009) Article DOI: 10.1016/j.bmc.2008.12.031 BindingDB Entry DOI: 10.7270/Q2KP8213
					More data for this Ligand-Target Pair