Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 4' and Ligand = 'BDBM50515598'   

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))	BDBM50515598 (CHEMBL4526049) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(Cc2ccc(O)c(O)c2)CC1 Show InChI InChI=1S/C22H27ClN2O4/c1-29-22-12-18(24)17(23)11-16(22)19(26)4-2-14-6-8-25(9-7-14)13-15-3-5-20(27)21(28)10-15/h3,5,10-12,14,27-28H,2,4,6-9,13,24H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Binding affinity to recombinant human brain 5HT4 receptor by radio ligand binding assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111596 BindingDB Entry DOI: 10.7270/Q2988BC8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50515598 (CHEMBL4526049) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(Cc2ccc(O)c(O)c2)CC1 Show InChI InChI=1S/C22H27ClN2O4/c1-29-22-12-18(24)17(23)11-16(22)19(26)4-2-14-6-8-25(9-7-14)13-15-3-5-20(27)21(28)10-15/h3,5,10-12,14,27-28H,2,4,6-9,13,24H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Displacement of [3H]-GR 113808 from recombinant human brain 5HT4 receptor measured after 60 mins by radio ligand binding assay				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111596 BindingDB Entry DOI: 10.7270/Q2988BC8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50515598 (CHEMBL4526049) Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(Cc2ccc(O)c(O)c2)CC1 Show InChI InChI=1S/C22H27ClN2O4/c1-29-22-12-18(24)17(23)11-16(22)19(26)4-2-14-6-8-25(9-7-14)13-15-3-5-20(27)21(28)10-15/h3,5,10-12,14,27-28H,2,4,6-9,13,24H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.80	n/a	n/a	n/a	n/a
Normandie Univ Curated by ChEMBL					Assay Description Partial agonist activity at human HA-tagged 5HT4 receptor expressed in COS7 cells assessed as induction of cAMP production measured after 10 mins by ...				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111596 BindingDB Entry DOI: 10.7270/Q2988BC8
					More data for this Ligand-Target Pair