Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 4' and Ligand = 'BDBM50255827'   

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
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50255827 (9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl 2-methoxy-5...) Show SMILES COc1ccc(C)cc1NC(=O)OC1CC2CCCC(C1)N2Cc1ccccc1 |TLB:12:13:21:16.17.18| Show InChI InChI=1S/C24H30N2O3/c1-17-11-12-23(28-2)22(13-17)25-24(27)29-21-14-19-9-6-10-20(15-21)26(19)16-18-7-4-3-5-8-18/h3-5,7-8,11-13,19-21H,6,9-10,14-16H2,1-2H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to 5HT4 receptor (unknown origin)				Bioorg Med Chem 17: 1222-31 (2009) Article DOI: 10.1016/j.bmc.2008.12.025 BindingDB Entry DOI: 10.7270/Q2NP249V
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