Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50042200   

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 (GUINEA PIG)	BDBM82482 (TMQ, S-(+)-8-Fluoro) Show SMILES COc1cc(C[C@@H]2NCCc3cc(O)c(O)c(F)c23)cc(OC)c1OC Show InChI InChI=1S/C19H22FNO5/c1-24-14-7-10(8-15(25-2)19(14)26-3)6-12-16-11(4-5-21-12)9-13(22)18(23)17(16)20/h7-9,12,21-23H,4-6H2,1-3H3/t12-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by ChEMBL					Assay Description Binding affinity against Beta-2 adrenergic receptor in guinea pig lung membranes				J Med Chem 35: 466-79 (1992) BindingDB Entry DOI: 10.7270/Q27D2WF8
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50019355 (1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...) Show SMILES COc1cc(CC2NCCc3cc(O)c(O)cc23)cc(OC)c1OC Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by ChEMBL					Assay Description Binding affinity against Beta-2 adrenergic receptor in guinea pig lung membranes				J Med Chem 35: 466-79 (1992) BindingDB Entry DOI: 10.7270/Q27D2WF8
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM82497 (TMQ, R-(-)-8-Fluoro) Show SMILES COc1cc(C[C@H]2NCCc3cc(O)c(O)c(F)c23)cc(OC)c1OC Show InChI InChI=1S/C19H22FNO5/c1-24-14-7-10(8-15(25-2)19(14)26-3)6-12-16-11(4-5-21-12)9-13(22)18(23)17(16)20/h7-9,12,21-23H,4-6H2,1-3H3/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	372	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ohio State University Curated by ChEMBL					Assay Description Binding affinity against Beta-2 adrenergic receptor in guinea pig lung membranes				J Med Chem 35: 466-79 (1992) BindingDB Entry DOI: 10.7270/Q27D2WF8
					More data for this Ligand-Target Pair