Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50007094   

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)	BDBM29525 (3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...) Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12 Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatal membranes by [3H]-GR 113808 displacement.				J Med Chem 40: 1755-61 (1997) Article DOI: 10.1021/jm960853v BindingDB Entry DOI: 10.7270/Q2NS0T0C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50058173 (4-Amino-5-chloro-2-methoxy-benzoic acid 2-((3S,5R)...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1C[C@@H](C)C[C@@H](C)C1 Show InChI InChI=1S/C17H25ClN2O3/c1-11-6-12(2)10-20(9-11)4-5-23-17(21)13-7-14(18)15(19)8-16(13)22-3/h7-8,11-12H,4-6,9-10,19H2,1-3H3/t11-,12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatal membranes by [3H]-GR 113808 displacement.				J Med Chem 40: 1755-61 (1997) Article DOI: 10.1021/jm960853v BindingDB Entry DOI: 10.7270/Q2NS0T0C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50058170 ((2-Ethoxy-phenyl)-carbamic acid 2-((3R,5S)-3,5-dim...) Show SMILES CCOc1ccccc1NC(=O)OCCN1C[C@@H](C)C[C@@H](C)C1 Show InChI InChI=1S/C18H28N2O3/c1-4-22-17-8-6-5-7-16(17)19-18(21)23-10-9-20-12-14(2)11-15(3)13-20/h5-8,14-15H,4,9-13H2,1-3H3,(H,19,21)/t14-,15+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.05	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatal membranes by [3H]-GR 113808 displacement.				J Med Chem 40: 1755-61 (1997) Article DOI: 10.1021/jm960853v BindingDB Entry DOI: 10.7270/Q2NS0T0C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM29526 (2-Piperidinoethyl 4-amino-5-chloro-2-methoxybenzoa...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCC1 Show InChI InChI=1S/C15H21ClN2O3/c1-20-14-10-13(17)12(16)9-11(14)15(19)21-8-7-18-5-3-2-4-6-18/h9-10H,2-8,17H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.07	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatal membranes by [3H]-GR 113808 displacement.				J Med Chem 40: 1755-61 (1997) Article DOI: 10.1021/jm960853v BindingDB Entry DOI: 10.7270/Q2NS0T0C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50454556 (CHEMBL2115017) Show SMILES CCOc1ccccc1NC(=O)OCCN1C[C@H](C)C[C@@H](C)C1 Show InChI InChI=1S/C18H28N2O3/c1-4-22-17-8-6-5-7-16(17)19-18(21)23-10-9-20-12-14(2)11-15(3)13-20/h5-8,14-15H,4,9-13H2,1-3H3,(H,19,21)/t14-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatal membranes by [3H]-GR 113808 displacement.				J Med Chem 40: 1755-61 (1997) Article DOI: 10.1021/jm960853v BindingDB Entry DOI: 10.7270/Q2NS0T0C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50058175 ((2-Ethoxy-phenyl)-carbamic acid 2-piperidin-1-yl-e...) Show SMILES CCOc1ccccc1NC(=O)OCCN1CCCCC1 Show InChI InChI=1S/C16H24N2O3/c1-2-20-15-9-5-4-8-14(15)17-16(19)21-13-12-18-10-6-3-7-11-18/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatal membranes by [3H]-GR 113808 displacement.				J Med Chem 40: 1755-61 (1997) Article DOI: 10.1021/jm960853v BindingDB Entry DOI: 10.7270/Q2NS0T0C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50058181 ((2-Methoxy-phenyl)-carbamic acid 2-((3R,5S)-3,5-di...) Show SMILES COc1ccccc1NC(=O)OCCN1C[C@@H](C)C[C@@H](C)C1 Show InChI InChI=1S/C17H26N2O3/c1-13-10-14(2)12-19(11-13)8-9-22-17(20)18-15-6-4-5-7-16(15)21-3/h4-7,13-14H,8-12H2,1-3H3,(H,18,20)/t13-,14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatal membranes by [3H]-GR 113808 displacement.				J Med Chem 40: 1755-61 (1997) Article DOI: 10.1021/jm960853v BindingDB Entry DOI: 10.7270/Q2NS0T0C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50058174 ((5-Chloro-2-methoxy-phenyl)-carbamic acid 2-piperi...) Show SMILES COc1ccc(Cl)cc1NC(=O)OCCN1CCCCC1 Show InChI InChI=1S/C15H21ClN2O3/c1-20-14-6-5-12(16)11-13(14)17-15(19)21-10-9-18-7-3-2-4-8-18/h5-6,11H,2-4,7-10H2,1H3,(H,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatal membranes by [3H]-GR 113808 displacement.				J Med Chem 40: 1755-61 (1997) Article DOI: 10.1021/jm960853v BindingDB Entry DOI: 10.7270/Q2NS0T0C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50056401 (2-diethylaminoethyl [2-methoxy-4-amino-5-chloro]be...) Show SMILES CCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C14H21ClN2O3/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3/h8-9H,4-7,16H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatal membranes by [3H]-GR 113808 displacement.				J Med Chem 40: 1755-61 (1997) Article DOI: 10.1021/jm960853v BindingDB Entry DOI: 10.7270/Q2NS0T0C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50058185 ((2-Methoxy-phenyl)-carbamic acid 2-piperidin-1-yl-...) Show SMILES COc1ccccc1NC(=O)OCCN1CCCCC1 Show InChI InChI=1S/C15H22N2O3/c1-19-14-8-4-3-7-13(14)16-15(18)20-12-11-17-9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,16,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatal membranes by [3H]-GR 113808 displacement.				J Med Chem 40: 1755-61 (1997) Article DOI: 10.1021/jm960853v BindingDB Entry DOI: 10.7270/Q2NS0T0C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50058168 (CHEMBL48351 | Phenyl-carbamic acid 2-piperidin-1-y...) Show SMILES O=C(Nc1ccccc1)OCCN1CCCCC1 Show InChI InChI=1S/C14H20N2O2/c17-14(15-13-7-3-1-4-8-13)18-12-11-16-9-5-2-6-10-16/h1,3-4,7-8H,2,5-6,9-12H2,(H,15,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatal membranes by [3H]-GR 113808 displacement.				J Med Chem 40: 1755-61 (1997) Article DOI: 10.1021/jm960853v BindingDB Entry DOI: 10.7270/Q2NS0T0C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50058178 ((3-Chloro-phenyl)-carbamic acid 2-piperidin-1-yl-e...) Show SMILES Clc1cccc(NC(=O)OCCN2CCCCC2)c1 Show InChI InChI=1S/C14H19ClN2O2/c15-12-5-4-6-13(11-12)16-14(18)19-10-9-17-7-2-1-3-8-17/h4-6,11H,1-3,7-10H2,(H,16,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatal membranes by [3H]-GR 113808 displacement.				J Med Chem 40: 1755-61 (1997) Article DOI: 10.1021/jm960853v BindingDB Entry DOI: 10.7270/Q2NS0T0C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50058189 ((2-Methoxy-phenyl)-carbamic acid 3-piperidin-1-yl-...) Show SMILES COc1ccccc1NC(=O)OCCCN1CCCCC1 Show InChI InChI=1S/C16H24N2O3/c1-20-15-9-4-3-8-14(15)17-16(19)21-13-7-12-18-10-5-2-6-11-18/h3-4,8-9H,2,5-7,10-13H2,1H3,(H,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatal membranes by [3H]-GR 113808 displacement.				J Med Chem 40: 1755-61 (1997) Article DOI: 10.1021/jm960853v BindingDB Entry DOI: 10.7270/Q2NS0T0C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50058177 ((3-Methoxy-phenyl)-carbamic acid 2-piperidin-1-yl-...) Show SMILES COc1cccc(NC(=O)OCCN2CCCCC2)c1 Show InChI InChI=1S/C15H22N2O3/c1-19-14-7-5-6-13(12-14)16-15(18)20-11-10-17-8-3-2-4-9-17/h5-7,12H,2-4,8-11H2,1H3,(H,16,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	469	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatal membranes by [3H]-GR 113808 displacement.				J Med Chem 40: 1755-61 (1997) Article DOI: 10.1021/jm960853v BindingDB Entry DOI: 10.7270/Q2NS0T0C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50058192 ((4-Chloro-phenyl)-carbamic acid 2-piperidin-1-yl-e...) Show SMILES Clc1ccc(NC(=O)OCCN2CCCCC2)cc1 Show InChI InChI=1S/C14H19ClN2O2/c15-12-4-6-13(7-5-12)16-14(18)19-11-10-17-8-2-1-3-9-17/h4-7H,1-3,8-11H2,(H,16,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	728	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatal membranes by [3H]-GR 113808 displacement.				J Med Chem 40: 1755-61 (1997) Article DOI: 10.1021/jm960853v BindingDB Entry DOI: 10.7270/Q2NS0T0C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50058186 ((4-Methoxy-phenyl)-carbamic acid 2-piperidin-1-yl-...) Show SMILES COc1ccc(NC(=O)OCCN2CCCCC2)cc1 Show InChI InChI=1S/C15H22N2O3/c1-19-14-7-5-13(6-8-14)16-15(18)20-12-11-17-9-3-2-4-10-17/h5-8H,2-4,9-12H2,1H3,(H,16,18)	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
CNRS-BIOCIS Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatal membranes by [3H]-GR 113808 displacement.				J Med Chem 40: 1755-61 (1997) Article DOI: 10.1021/jm960853v BindingDB Entry DOI: 10.7270/Q2NS0T0C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50058188 ((2-Chloro-phenyl)-carbamic acid 2-piperidin-1-yl-e...) Show SMILES Clc1ccccc1NC(=O)OCCN1CCCCC1 Show InChI InChI=1S/C14H19ClN2O2/c15-12-6-2-3-7-13(12)16-14(18)19-11-10-17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-11H2,(H,16,18)	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
CNRS-BIOCIS Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatal membranes by [3H]-GR 113808 displacement.				J Med Chem 40: 1755-61 (1997) Article DOI: 10.1021/jm960853v BindingDB Entry DOI: 10.7270/Q2NS0T0C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50058184 (CHEMBL440670 | N-(2-Methoxy-phenyl)-4-piperidin-1-...) Show SMILES COc1ccccc1NC(=O)CCCN1CCCCC1 Show InChI InChI=1S/C16H24N2O2/c1-20-15-9-4-3-8-14(15)17-16(19)10-7-13-18-11-5-2-6-12-18/h3-4,8-9H,2,5-7,10-13H2,1H3,(H,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatal membranes by [3H]-GR 113808 displacement.				J Med Chem 40: 1755-61 (1997) Article DOI: 10.1021/jm960853v BindingDB Entry DOI: 10.7270/Q2NS0T0C
					More data for this Ligand-Target Pair