Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 4' and Ligand = 'BDBM50105638'   

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)	BDBM50105638 (6-Chloro-7-nitro-1H-benzoimidazole-4-carboxylic ac...) Show SMILES CCCCN1CCC(CNC(=O)c2cc(Cl)c([N+]([O-])=O)c3nc[nH]c23)CC1 Show InChI InChI=1S/C18H24ClN5O3/c1-2-3-6-23-7-4-12(5-8-23)10-20-18(25)13-9-14(19)17(24(26)27)16-15(13)21-11-22-16/h9,11-12H,2-8,10H2,1H3,(H,20,25)(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44.6	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)	BDBM50105638 (6-Chloro-7-nitro-1H-benzoimidazole-4-carboxylic ac...) Show SMILES CCCCN1CCC(CNC(=O)c2cc(Cl)c([N+]([O-])=O)c3nc[nH]c23)CC1 Show InChI InChI=1S/C18H24ClN5O3/c1-2-3-6-23-7-4-12(5-8-23)10-20-18(25)13-9-14(19)17(24(26)27)16-15(13)21-11-22-16/h9,11-12H,2-8,10H2,1H3,(H,20,25)(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	45	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