Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50042154   

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 (Sus scrofa)	BDBM50421360 (CHEMBL358119 | SB-207058) Show SMILES CCCCN1CCC(COC(=O)c2c3OCCCn3c3ccccc23)CC1 Show InChI InChI=1S/C22H30N2O3/c1-2-3-11-23-13-9-17(10-14-23)16-27-22(25)20-18-7-4-5-8-19(18)24-12-6-15-26-21(20)24/h4-5,7-8,17H,2-3,6,9-16H2,1H3	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.0631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was evaluated for its ability to inhibit the binding of 5-HT4 receptor radioligand [125I]SB 207710 to piglet hippocampal membrane				Citation and Details Article DOI: 10.1016/S0960-894X(01)80176-1 BindingDB Entry DOI: 10.7270/Q25T3MSB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Sus scrofa)	BDBM50421359 (CHEMBL145075) Show SMILES CCCCN1CCC(COC(=O)c2c3OCCn3c3ccccc23)CC1 Show InChI InChI=1S/C21H28N2O3/c1-2-3-10-22-11-8-16(9-12-22)15-26-21(24)19-17-6-4-5-7-18(17)23-13-14-25-20(19)23/h4-7,16H,2-3,8-15H2,1H3	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.0794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was evaluated for its ability to inhibit the binding of 5-HT4 receptor radioligand [125I]SB 207710 to piglet hippocampal membrane				Citation and Details Article DOI: 10.1016/S0960-894X(01)80176-1 BindingDB Entry DOI: 10.7270/Q25T3MSB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Sus scrofa)	BDBM82505 (CAS_121881 | NSC_121881 | SB204070) Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3OCCOc23)CC1 Show InChI InChI=1S/C19H27ClN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was evaluated for its ability to inhibit the binding of 5-HT4 receptor radioligand [125I]SB 207710 to piglet hippocampal membrane				Citation and Details Article DOI: 10.1016/S0960-894X(01)80176-1 BindingDB Entry DOI: 10.7270/Q25T3MSB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Sus scrofa)	BDBM50421362 (CHEMBL143862) Show SMILES CCCCN1CCC(COC(=O)c2c3OCCCCn3c3ccccc23)CC1 Show InChI InChI=1S/C23H32N2O3/c1-2-3-12-24-14-10-18(11-15-24)17-28-23(26)21-19-8-4-5-9-20(19)25-13-6-7-16-27-22(21)25/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was evaluated for its ability to inhibit the binding of 5-HT4 receptor radioligand [125I]SB 207710 to piglet hippocampal membrane				Citation and Details Article DOI: 10.1016/S0960-894X(01)80176-1 BindingDB Entry DOI: 10.7270/Q25T3MSB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Sus scrofa)	BDBM50421361 (CHEMBL143426) Show SMILES CCCCN1CCC(COC(=O)c2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C19H26N2O2/c1-2-3-10-21-11-8-15(9-12-21)14-23-19(22)17-13-20-18-7-5-4-6-16(17)18/h4-7,13,15,20H,2-3,8-12,14H2,1H3	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was evaluated for its ability to inhibit the binding of 5-HT4 receptor radioligand [125I]SB 207710 to piglet hippocampal membrane				Citation and Details Article DOI: 10.1016/S0960-894X(01)80176-1 BindingDB Entry DOI: 10.7270/Q25T3MSB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50421360 (CHEMBL358119 | SB-207058) Show SMILES CCCCN1CCC(COC(=O)c2c3OCCCn3c3ccccc23)CC1 Show InChI InChI=1S/C22H30N2O3/c1-2-3-11-23-13-9-17(10-14-23)16-27-22(25)20-18-7-4-5-8-19(18)24-12-6-15-26-21(20)24/h4-5,7-8,17H,2-3,6,9-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.0251	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ability to block 5-HT4 receptor mediated effect of 5-HT was assessed in the guinea-pig distal colon longitudinal muscle myenteric plexus preparation ...				Citation and Details Article DOI: 10.1016/S0960-894X(01)80176-1 BindingDB Entry DOI: 10.7270/Q25T3MSB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM82505 (CAS_121881 | NSC_121881 | SB204070) Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(N)c3OCCOc23)CC1 Show InChI InChI=1S/C19H27ClN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	0.0794	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ability to block 5-HT4 receptor mediated effect of 5-HT was assessed in the guinea-pig distal colon longitudinal muscle myenteric plexus preparation ...				Citation and Details Article DOI: 10.1016/S0960-894X(01)80176-1 BindingDB Entry DOI: 10.7270/Q25T3MSB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50421359 (CHEMBL145075) Show SMILES CCCCN1CCC(COC(=O)c2c3OCCn3c3ccccc23)CC1 Show InChI InChI=1S/C21H28N2O3/c1-2-3-10-22-11-8-16(9-12-22)15-26-21(24)19-17-6-4-5-7-18(17)23-13-14-25-20(19)23/h4-7,16H,2-3,8-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ability to block 5-HT4 receptor mediated effect of 5-HT was assessed in the guinea-pig distal colon longitudinal muscle myenteric plexus preparation ...				Citation and Details Article DOI: 10.1016/S0960-894X(01)80176-1 BindingDB Entry DOI: 10.7270/Q25T3MSB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50421362 (CHEMBL143862) Show SMILES CCCCN1CCC(COC(=O)c2c3OCCCCn3c3ccccc23)CC1 Show InChI InChI=1S/C23H32N2O3/c1-2-3-12-24-14-10-18(11-15-24)17-28-23(26)21-19-8-4-5-9-20(19)25-13-6-7-16-27-22(21)25/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.158	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ability to block 5-HT4 receptor mediated effect of 5-HT was assessed in the guinea-pig distal colon longitudinal muscle myenteric plexus preparation ...				Citation and Details Article DOI: 10.1016/S0960-894X(01)80176-1 BindingDB Entry DOI: 10.7270/Q25T3MSB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50421361 (CHEMBL143426) Show SMILES CCCCN1CCC(COC(=O)c2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C19H26N2O2/c1-2-3-10-21-11-8-15(9-12-21)14-23-19(22)17-13-20-18-7-5-4-6-16(17)18/h4-7,13,15,20H,2-3,8-12,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.501	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ability to block 5-HT4 receptor mediated effect of 5-HT was assessed in the guinea-pig distal colon longitudinal muscle myenteric plexus preparation ...				Citation and Details Article DOI: 10.1016/S0960-894X(01)80176-1 BindingDB Entry DOI: 10.7270/Q25T3MSB
					More data for this Ligand-Target Pair