Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50122649'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-2 adrenergic receptor (Rattus norvegicus)	BDBM50122649 ((2-Chloro-4-{2-[2-hydroxy-2-(4-hydroxy-phenyl)-1-m...) Show SMILES CCOC(=O)COc1ccc(CCNC(C)C(O)c2ccc(O)cc2)cc1Cl Show InChI InChI=1S/C21H26ClNO5/c1-3-27-20(25)13-28-19-9-4-15(12-18(19)22)10-11-23-14(2)21(26)16-5-7-17(24)8-6-16/h4-9,12,14,21,23-24,26H,3,10-11,13H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Inhibition of spontaneous contractions in isolated rat uterus				J Med Chem 46: 105-12 (2002) Article DOI: 10.1021/jm020177z BindingDB Entry DOI: 10.7270/Q2BP03J1
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Canis familiaris)	BDBM50122649 ((2-Chloro-4-{2-[2-hydroxy-2-(4-hydroxy-phenyl)-1-m...) Show SMILES CCOC(=O)COc1ccc(CCNC(C)C(O)c2ccc(O)cc2)cc1Cl Show InChI InChI=1S/C21H26ClNO5/c1-3-27-20(25)13-28-19-9-4-15(12-18(19)22)10-11-23-14(2)21(26)16-5-7-17(24)8-6-16/h4-9,12,14,21,23-24,26H,3,10-11,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	525	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Agonistic activity for Beta-2 adrenergic receptor was assessed by it's inhibitory effect on spontaneous contractions in isolated rat uterus				J Med Chem 46: 105-12 (2002) Article DOI: 10.1021/jm020177z BindingDB Entry DOI: 10.7270/Q2BP03J1
					More data for this Ligand-Target Pair