Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 4' and Ligand = 'BDBM50105649'   

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)	BDBM50105649 (6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-bu...) Show SMILES CCCCN1CCC(CNC(=O)c2cc(Cl)cc3nc[nH]c23)CC1 Show InChI InChI=1S/C18H25ClN4O/c1-2-3-6-23-7-4-13(5-8-23)11-20-18(24)15-9-14(19)10-16-17(15)22-12-21-16/h9-10,12-13H,2-8,11H2,1H3,(H,20,24)(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.320	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
5-hydroxytryptamine receptor 4 (RAT)	BDBM50105649 (6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-bu...) Show SMILES CCCCN1CCC(CNC(=O)c2cc(Cl)cc3nc[nH]c23)CC1 Show InChI InChI=1S/C18H25ClN4O/c1-2-3-6-23-7-4-13(5-8-23)11-20-18(24)15-9-14(19)10-16-17(15)22-12-21-16/h9-10,12-13H,2-8,11H2,1H3,(H,20,24)(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.320	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