Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50044516   

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 (GUINEA PIG)	BDBM50056415 (2-piperidinopropyl 4-amino-5-chloro-2-methoxybenzo...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCCN1CCCCC1 Show InChI InChI=1S/C16H23ClN2O3/c1-21-15-11-14(18)13(17)10-12(15)16(20)22-9-5-8-19-6-3-2-4-7-19/h10-11H,2-9,18H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from Dunkin-Hartley guinea pig brain striatum 5HT4R after 30 mins				Eur J Med Chem 82: 36-46 (2014) Article DOI: 10.1016/j.ejmech.2014.05.015 BindingDB Entry DOI: 10.7270/Q21Z45ZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50388686 (CHEMBL74656) Show SMILES CO[C@@H]1CN(CCCOc2ccc(F)cc2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r| Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)/t20-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from Dunkin-Hartley guinea pig brain striatum 5HT4R after 30 mins				Eur J Med Chem 82: 36-46 (2014) Article DOI: 10.1016/j.ejmech.2014.05.015 BindingDB Entry DOI: 10.7270/Q21Z45ZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50019529 (CHEMBL3291085) Show SMILES [K+].CC(C)n1c2sccc2c([O-])c(C(=O)NCCCN2CCCCC2)c1=O Show InChI InChI=1S/C19H27N3O3S.K/c1-13(2)22-18(25)15(16(23)14-7-12-26-19(14)22)17(24)20-8-6-11-21-9-4-3-5-10-21;/h7,12-13,23H,3-6,8-11H2,1-2H3,(H,20,24);/q;+1/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Binding affinity to 5HT4R (unknown origin)				Eur J Med Chem 82: 36-46 (2014) Article DOI: 10.1016/j.ejmech.2014.05.015 BindingDB Entry DOI: 10.7270/Q21Z45ZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50019523 (CHEMBL3291078) Show SMILES COc1cc2C(=O)N(CCCN3CCCCC3)C(=O)c3cccc(n1)c23 Show InChI InChI=1S/C20H23N3O3/c1-26-17-13-15-18-14(7-5-8-16(18)21-17)19(24)23(20(15)25)12-6-11-22-9-3-2-4-10-22/h5,7-8,13H,2-4,6,9-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from Dunkin-Hartley guinea pig brain striatum 5HT4R after 30 mins				Eur J Med Chem 82: 36-46 (2014) Article DOI: 10.1016/j.ejmech.2014.05.015 BindingDB Entry DOI: 10.7270/Q21Z45ZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50019520 (CHEMBL3291075) Show SMILES COc1cc(C(=O)OCCCN2CCCCC2)c2ccccc2n1 Show InChI InChI=1S/C19H24N2O3/c1-23-18-14-16(15-8-3-4-9-17(15)20-18)19(22)24-13-7-12-21-10-5-2-6-11-21/h3-4,8-9,14H,2,5-7,10-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from Dunkin-Hartley guinea pig brain striatum 5HT4R after 30 mins				Eur J Med Chem 82: 36-46 (2014) Article DOI: 10.1016/j.ejmech.2014.05.015 BindingDB Entry DOI: 10.7270/Q21Z45ZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50019525 (CHEMBL3291080) Show SMILES Clc1cc2C(=O)N(CCCN3CCCCC3)C(=O)c3cccc(n1)c23 Show InChI InChI=1S/C19H20ClN3O2/c20-16-12-14-17-13(6-4-7-15(17)21-16)18(24)23(19(14)25)11-5-10-22-8-2-1-3-9-22/h4,6-7,12H,1-3,5,8-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from Dunkin-Hartley guinea pig brain striatum 5HT4R after 30 mins				Eur J Med Chem 82: 36-46 (2014) Article DOI: 10.1016/j.ejmech.2014.05.015 BindingDB Entry DOI: 10.7270/Q21Z45ZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50019522 (CHEMBL3291077) Show SMILES COc1cc2C(=O)N(CCCN3CCCCC3)Cc3cccc(n1)c23 Show InChI InChI=1S/C20H25N3O2/c1-25-18-13-16-19-15(7-5-8-17(19)21-18)14-23(20(16)24)12-6-11-22-9-3-2-4-10-22/h5,7-8,13H,2-4,6,9-12,14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	283	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from Dunkin-Hartley guinea pig brain striatum 5HT4R after 30 mins				Eur J Med Chem 82: 36-46 (2014) Article DOI: 10.1016/j.ejmech.2014.05.015 BindingDB Entry DOI: 10.7270/Q21Z45ZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50019528 (CHEMBL3291083) Show SMILES O=C1N(CCCN2CCCCC2)C(=O)c2cc(nc3cccc1c23)N1CCCCC1 Show InChI InChI=1S/C24H30N4O2/c29-23-18-9-7-10-20-22(18)19(17-21(25-20)27-14-5-2-6-15-27)24(30)28(23)16-8-13-26-11-3-1-4-12-26/h7,9-10,17H,1-6,8,11-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	344	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from Dunkin-Hartley guinea pig brain striatum 5HT4R after 30 mins				Eur J Med Chem 82: 36-46 (2014) Article DOI: 10.1016/j.ejmech.2014.05.015 BindingDB Entry DOI: 10.7270/Q21Z45ZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50019524 (CHEMBL3291079) Show SMILES Clc1cc2C(=O)N(CCCN3CCCCC3)Cc3cccc(n1)c23 Show InChI InChI=1S/C19H22ClN3O/c20-17-12-15-18-14(6-4-7-16(18)21-17)13-23(19(15)24)11-5-10-22-8-2-1-3-9-22/h4,6-7,12H,1-3,5,8-11,13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	563	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from Dunkin-Hartley guinea pig brain striatum 5HT4R after 30 mins				Eur J Med Chem 82: 36-46 (2014) Article DOI: 10.1016/j.ejmech.2014.05.015 BindingDB Entry DOI: 10.7270/Q21Z45ZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50019527 (CHEMBL3291082) Show SMILES O=C1N(CCCN2CCCCC2)C(=O)c2cc(nc3cccc1c23)N1CCCC1 Show InChI InChI=1S/C23H28N4O2/c28-22-17-8-6-9-19-21(17)18(16-20(24-19)26-13-4-5-14-26)23(29)27(22)15-7-12-25-10-2-1-3-11-25/h6,8-9,16H,1-5,7,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from Dunkin-Hartley guinea pig brain striatum 5HT4R after 30 mins				Eur J Med Chem 82: 36-46 (2014) Article DOI: 10.1016/j.ejmech.2014.05.015 BindingDB Entry DOI: 10.7270/Q21Z45ZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50019526 (CHEMBL3291081) Show SMILES O=C1N(CCCN2CCCCC2)Cc2cccc3nc(cc1c23)N1CCCC1 Show InChI InChI=1S/C23H30N4O/c28-23-19-16-21(26-13-4-5-14-26)24-20-9-6-8-18(22(19)20)17-27(23)15-7-12-25-10-2-1-3-11-25/h6,8-9,16H,1-5,7,10-15,17H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from Dunkin-Hartley guinea pig brain striatum 5HT4R after 30 mins				Eur J Med Chem 82: 36-46 (2014) Article DOI: 10.1016/j.ejmech.2014.05.015 BindingDB Entry DOI: 10.7270/Q21Z45ZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (GUINEA PIG)	BDBM50019521 (CHEMBL3291076) Show SMILES COc1cc(C(=O)NCCCN2CCCCC2)c2ccccc2n1 Show InChI InChI=1S/C19H25N3O2/c1-24-18-14-16(15-8-3-4-9-17(15)21-18)19(23)20-10-7-13-22-11-5-2-6-12-22/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,20,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]GR113808 from Dunkin-Hartley guinea pig brain striatum 5HT4R after 30 mins				Eur J Med Chem 82: 36-46 (2014) Article DOI: 10.1016/j.ejmech.2014.05.015 BindingDB Entry DOI: 10.7270/Q21Z45ZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50056415 (2-piperidinopropyl 4-amino-5-chloro-2-methoxybenzo...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCCN1CCCCC1 Show InChI InChI=1S/C16H23ClN2O3/c1-21-15-11-14(18)13(17)10-12(15)16(20)22-9-5-8-19-6-3-2-4-7-19/h10-11H,2-9,18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Partial agonist activity at Rluc-tagged human 5HT4R expressed in human SH-SY5Y cells assessed as effect on serotonin-induced receptor/Gbeta1 coupling...				Eur J Med Chem 82: 36-46 (2014) Article DOI: 10.1016/j.ejmech.2014.05.015 BindingDB Entry DOI: 10.7270/Q21Z45ZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50019523 (CHEMBL3291078) Show SMILES COc1cc2C(=O)N(CCCN3CCCCC3)C(=O)c3cccc(n1)c23 Show InChI InChI=1S/C20H23N3O3/c1-26-17-13-15-18-14(7-5-8-16(18)21-17)19(24)23(20(15)25)12-6-11-22-9-3-2-4-10-22/h5,7-8,13H,2-4,6,9-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Antagonist activity at Rluc-tagged human 5HT4R expressed in human SH-SY5Y cells assessed as inhibition of serotonin-induced receptor/Gbeta1 coupling ...				Eur J Med Chem 82: 36-46 (2014) Article DOI: 10.1016/j.ejmech.2014.05.015 BindingDB Entry DOI: 10.7270/Q21Z45ZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50019524 (CHEMBL3291079) Show SMILES Clc1cc2C(=O)N(CCCN3CCCCC3)Cc3cccc(n1)c23 Show InChI InChI=1S/C19H22ClN3O/c20-17-12-15-18-14(6-4-7-16(18)21-17)13-23(19(15)24)11-5-10-22-8-2-1-3-9-22/h4,6-7,12H,1-3,5,8-11,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Partial agonist activity at Rluc-tagged human 5HT4R expressed in human SH-SY5Y cells assessed as effect on serotonin-induced receptor/Gbeta1 coupling...				Eur J Med Chem 82: 36-46 (2014) Article DOI: 10.1016/j.ejmech.2014.05.015 BindingDB Entry DOI: 10.7270/Q21Z45ZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50019520 (CHEMBL3291075) Show SMILES COc1cc(C(=O)OCCCN2CCCCC2)c2ccccc2n1 Show InChI InChI=1S/C19H24N2O3/c1-23-18-14-16(15-8-3-4-9-17(15)20-18)19(22)24-13-7-12-21-10-5-2-6-11-21/h3-4,8-9,14H,2,5-7,10-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	203	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Antagonist activity at Rluc-tagged human 5HT4R expressed in human SH-SY5Y cells assessed as inhibition of serotonin-induced receptor/Gbeta1 coupling ...				Eur J Med Chem 82: 36-46 (2014) Article DOI: 10.1016/j.ejmech.2014.05.015 BindingDB Entry DOI: 10.7270/Q21Z45ZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50019525 (CHEMBL3291080) Show SMILES Clc1cc2C(=O)N(CCCN3CCCCC3)C(=O)c3cccc(n1)c23 Show InChI InChI=1S/C19H20ClN3O2/c20-16-12-14-17-13(6-4-7-15(17)21-16)18(24)23(19(14)25)11-5-10-22-8-2-1-3-9-22/h4,6-7,12H,1-3,5,8-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	453	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Antagonist activity at Rluc-tagged human 5HT4R expressed in human SH-SY5Y cells assessed as inhibition of serotonin-induced receptor/Gbeta1 coupling ...				Eur J Med Chem 82: 36-46 (2014) Article DOI: 10.1016/j.ejmech.2014.05.015 BindingDB Entry DOI: 10.7270/Q21Z45ZQ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50019522 (CHEMBL3291077) Show SMILES COc1cc2C(=O)N(CCCN3CCCCC3)Cc3cccc(n1)c23 Show InChI InChI=1S/C20H25N3O2/c1-25-18-13-16-19-15(7-5-8-17(19)21-18)14-23(20(16)24)12-6-11-22-9-3-2-4-10-22/h5,7-8,13H,2-4,6,9-12,14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	916	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Antagonist activity at Rluc-tagged human 5HT4R expressed in human SH-SY5Y cells assessed as inhibition of serotonin-induced receptor/Gbeta1 coupling ...				Eur J Med Chem 82: 36-46 (2014) Article DOI: 10.1016/j.ejmech.2014.05.015 BindingDB Entry DOI: 10.7270/Q21Z45ZQ
					More data for this Ligand-Target Pair