Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50007609   

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 7 (Homo sapiens (Human))	BDBM50098551 ((R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolid...) Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |r| Show InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Antagonist activity at human recombinant 5-HT7 receptor expressed in CHOK1 cells measured after 60 mins in the presence of serotonin by LANCE TR-FRET...				Bioorg Med Chem 27: 4163-4173 (2019) Article DOI: 10.1016/j.bmc.2019.07.046 BindingDB Entry DOI: 10.7270/Q2VT1WD5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50098551 ((R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolid...) Show SMILES CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1 |r| Show InChI InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Antagonist activity at human recombinant 5-HT7 receptor expressed in CHOK1 cells measured after 60 mins in the presence of serotonin by LANCE TR-FRET...				Bioorg Med Chem 27: 4163-4173 (2019) Article DOI: 10.1016/j.bmc.2019.07.046 BindingDB Entry DOI: 10.7270/Q2VT1WD5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50510895 (CHEMBL4591601) Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3cccc(Cl)c3Cl)C2=O)cc1OC Show InChI InChI=1S/C26H30Cl2N4O4/c1-35-22-9-8-18(17-23(22)36-2)16-20-25(33)32(26(34)29-20)11-4-3-10-30-12-14-31(15-13-30)21-7-5-6-19(27)24(21)28/h5-9,16-17H,3-4,10-15H2,1-2H3,(H,29,34)/b20-16-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	162	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Antagonist activity at human recombinant 5-HT7 receptor expressed in CHOK1 cells measured after 60 mins in the presence of serotonin by LANCE TR-FRET...				Bioorg Med Chem 27: 4163-4173 (2019) Article DOI: 10.1016/j.bmc.2019.07.046 BindingDB Entry DOI: 10.7270/Q2VT1WD5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50510895 (CHEMBL4591601) Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3cccc(Cl)c3Cl)C2=O)cc1OC Show InChI InChI=1S/C26H30Cl2N4O4/c1-35-22-9-8-18(17-23(22)36-2)16-20-25(33)32(26(34)29-20)11-4-3-10-30-12-14-31(15-13-30)21-7-5-6-19(27)24(21)28/h5-9,16-17H,3-4,10-15H2,1-2H3,(H,29,34)/b20-16-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	163	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Antagonist activity at human recombinant 5-HT7 receptor expressed in CHOK1 cells measured after 60 mins in the presence of serotonin by LANCE TR-FRET...				Bioorg Med Chem 27: 4163-4173 (2019) Article DOI: 10.1016/j.bmc.2019.07.046 BindingDB Entry DOI: 10.7270/Q2VT1WD5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50510896 (CHEMBL4465959) Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3ccccc3OC)C2=O)cc1OC1CCCC1 Show InChI InChI=1S/C31H40N4O5/c1-38-27-12-6-5-11-26(27)34-19-17-33(18-20-34)15-7-8-16-35-30(36)25(32-31(35)37)21-23-13-14-28(39-2)29(22-23)40-24-9-3-4-10-24/h5-6,11-14,21-22,24H,3-4,7-10,15-20H2,1-2H3,(H,32,37)/b25-21-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	219	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Antagonist activity at human recombinant 5-HT7 receptor expressed in CHOK1 cells measured after 60 mins in the presence of serotonin by LANCE TR-FRET...				Bioorg Med Chem 27: 4163-4173 (2019) Article DOI: 10.1016/j.bmc.2019.07.046 BindingDB Entry DOI: 10.7270/Q2VT1WD5
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50510896 (CHEMBL4465959) Show SMILES COc1ccc(\C=C2/NC(=O)N(CCCCN3CCN(CC3)c3ccccc3OC)C2=O)cc1OC1CCCC1 Show InChI InChI=1S/C31H40N4O5/c1-38-27-12-6-5-11-26(27)34-19-17-33(18-20-34)15-7-8-16-35-30(36)25(32-31(35)37)21-23-13-14-28(39-2)29(22-23)40-24-9-3-4-10-24/h5-6,11-14,21-22,24H,3-4,7-10,15-20H2,1-2H3,(H,32,37)/b25-21-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	219	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Medical College Curated by ChEMBL					Assay Description Antagonist activity at human recombinant 5-HT7 receptor expressed in CHOK1 cells measured after 60 mins in the presence of serotonin by LANCE TR-FRET...				Bioorg Med Chem 27: 4163-4173 (2019) Article DOI: 10.1016/j.bmc.2019.07.046 BindingDB Entry DOI: 10.7270/Q2VT1WD5
					More data for this Ligand-Target Pair