Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50009257   

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-1 adrenergic receptor (Homo sapiens (Human))	BDBM25746 (2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...) Show SMILES Cn1cc(nc1-c1ccc(OCC(O)CNCCOc2ccc(O)c(c2)C(N)=O)cc1)C(F)(F)F Show InChI InChI=1S/C23H25F3N4O5/c1-30-12-20(23(24,25)26)29-22(30)14-2-4-16(5-3-14)35-13-15(31)11-28-8-9-34-17-6-7-19(32)18(10-17)21(27)33/h2-7,10,12,15,28,31-32H,8-9,11,13H2,1H3,(H2,27,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta1 adrenoceptor expressed in HEK293T cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25761 (Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...) Show SMILES CC(C)NCC(O)COc1cccc2ccccc12 Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta1 adrenoceptor expressed in HEK293T cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM25756 ((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...) Show SMILES COCCc1ccc(OCC(O)CNC(C)C)cc1 Show InChI InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander Universit£t Erlangen-N£rnberg Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta1 adrenoceptor expressed in HEK293T cell membranes				Bioorg Med Chem 27: 2959-2971 (2019) Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD
					More data for this Ligand-Target Pair