Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 4' and Ligand = 'BDBM50105633'   

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 (RAT)	BDBM50105633 (1H-Benzoimidazole-4-carboxylic acid 1-(2-methanesu...) Show SMILES CS(=O)(=O)NCCN1CCC(COC(=O)c2cccc3nc[nH]c23)CC1 Show InChI InChI=1S/C17H24N4O4S/c1-26(23,24)20-7-10-21-8-5-13(6-9-21)11-25-17(22)14-3-2-4-15-16(14)19-12-18-15/h2-4,12-13,20H,5-11H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description In vitro binding affinity to 5-hydroxytryptamine 4 receptor in rat striatum membrane				Bioorg Med Chem Lett 11: 2807-11 (2001) Checked by Author BindingDB Entry DOI: 10.7270/Q29G5M3X
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50105633 (1H-Benzoimidazole-4-carboxylic acid 1-(2-methanesu...) Show SMILES CS(=O)(=O)NCCN1CCC(COC(=O)c2cccc3nc[nH]c23)CC1 Show InChI InChI=1S/C17H24N4O4S/c1-26(23,24)20-7-10-21-8-5-13(6-9-21)11-25-17(22)14-3-2-4-15-16(14)19-12-18-15/h2-4,12-13,20H,5-11H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	26.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Complutense Curated by ChEMBL					Assay Description Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane				J Med Chem 45: 4806-15 (2002) BindingDB Entry DOI: 10.7270/Q2BZ65D3
					More data for this Ligand-Target Pair