BDBM50347779 CHEMBL1233771

SMILES: CCOC(=O)c1oc2cccc(OC[C@@H](O)CNC(C)C)c2c1C

InChI Key: InChIKey=QVJVMNUTCGTBCH-ZDUSSCGKSA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer.

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 = 50347779   

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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50347779 (CHEMBL1233771) Show SMILES CCOC(=O)c1oc2cccc(OC[C@@H](O)CNC(C)C)c2c1C |r| Show InChI InChI=1S/C18H25NO5/c1-5-22-18(21)17-12(4)16-14(7-6-8-15(16)24-17)23-10-13(20)9-19-11(2)3/h6-8,11,13,19-20H,5,9-10H2,1-4H3/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heptares Therapeutics Limited Curated by ChEMBL					Assay Description Displacement of radioligand from human adrenergic beta2 receptor				J Med Chem 54: 4283-311 (2011) Article DOI: 10.1021/jm200371q BindingDB Entry DOI: 10.7270/Q23N23RZ
					More data for this Ligand-Target Pair