BDBM50255804 5-(3N-(2-Amino-2-methyl-1,3-dihydroxypropyl)-2-hydroxypropoxy)-3-chloro-9H-xanthen-9-one hydrochloride::CHEMBL481799

SMILES: CC(CO)(CO)NCC(O)COc1cccc2c1oc1cc(Cl)ccc1c2=O

InChI Key: InChIKey=VKSKWKMNABEMKJ-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 = 50255804   

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))	BDBM50255804 (5-(3N-(2-Amino-2-methyl-1,3-dihydroxypropyl)-2-hyd...) Show SMILES CC(CO)(CO)NCC(O)COc1cccc2c1oc1cc(Cl)ccc1c2=O Show InChI InChI=1S/C20H22ClNO6/c1-20(10-23,11-24)22-8-13(25)9-27-16-4-2-3-15-18(26)14-6-5-12(21)7-17(14)28-19(15)16/h2-7,13,22-25H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	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