Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 4' and Ligand = 'BDBM50288586'   

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)	BDBM50288586 (2-(4-amino-5-chloro-2,3-dihydrobenzo[b]furan-7-ylc...) Show SMILES Nc1c2CCOc2c(cc1Cl)C(=O)N[C@H]1CN2CCC1CC2 |wD:14.15,(8.91,-10.5,;8.98,-8.96,;10.32,-8.27,;11.76,-8.8,;12.71,-7.59,;11.85,-6.32,;10.38,-6.73,;9.09,-5.92,;7.73,-6.61,;7.66,-8.16,;6.34,-8.93,;9.16,-4.38,;7.86,-3.56,;10.51,-3.65,;10.57,-2.13,;11.94,-1.42,;12.01,.11,;10.73,-.78,;10.09,-.14,;9.27,-1.32,;9.32,.22,;10.7,.95,)| Show InChI InChI=1S/C16H20ClN3O2/c17-12-7-11(15-10(14(12)18)3-6-22-15)16(21)19-13-8-20-4-1-9(13)2-5-20/h7,9,13H,1-6,8,18H2,(H,19,21)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro relaxation of carbachol pre-contracted rat oesophageal TMM.				Bioorg Med Chem Lett 6: 263-266 (1996) Article DOI: 10.1016/0960-894X(96)00002-9 BindingDB Entry DOI: 10.7270/Q2MC90JK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50288586 (2-(4-amino-5-chloro-2,3-dihydrobenzo[b]furan-7-ylc...) Show SMILES Nc1c2CCOc2c(cc1Cl)C(=O)N[C@H]1CN2CCC1CC2 |wD:14.15,(8.91,-10.5,;8.98,-8.96,;10.32,-8.27,;11.76,-8.8,;12.71,-7.59,;11.85,-6.32,;10.38,-6.73,;9.09,-5.92,;7.73,-6.61,;7.66,-8.16,;6.34,-8.93,;9.16,-4.38,;7.86,-3.56,;10.51,-3.65,;10.57,-2.13,;11.94,-1.42,;12.01,.11,;10.73,-.78,;10.09,-.14,;9.27,-1.32,;9.32,.22,;10.7,.95,)| Show InChI InChI=1S/C16H20ClN3O2/c17-12-7-11(15-10(14(12)18)3-6-22-15)16(21)19-13-8-20-4-1-9(13)2-5-20/h7,9,13H,1-6,8,18H2,(H,19,21)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	195	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro relaxation of carbachol pre-contracted rat oesophageal TMM.				Bioorg Med Chem Lett 6: 263-266 (1996) Article DOI: 10.1016/0960-894X(96)00002-9 BindingDB Entry DOI: 10.7270/Q2MC90JK
					More data for this Ligand-Target Pair