Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50047000   

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)	BDBM50142919 (CHEMBL3759860) Show SMILES CO[C@@H]1CN(CC2CCN(CC2)C(=O)C(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r| Show InChI InChI=1S/C24H37ClN4O4/c1-15(2)24(31)29-9-5-16(6-10-29)13-28-8-7-20(22(14-28)33-4)27-23(30)17-11-18(25)19(26)12-21(17)32-3/h11-12,15-16,20,22H,5-10,13-14,26H2,1-4H3,(H,27,30)/t20-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	46	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Agonist activity at 5-HT4 receptor in rat esophageal thoracic muscularis mucosae assessed as carbachol-induced contraction				Eur J Med Chem 109: 75-88 (2016) Article DOI: 10.1016/j.ejmech.2015.12.006 BindingDB Entry DOI: 10.7270/Q2TT4SSP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50142920 (CHEMBL3759944) Show SMILES CO[C@@H]1CN(CC2CCN(CC2)C(=O)C(C)(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r| Show InChI InChI=1S/C25H39ClN4O4/c1-25(2,3)24(32)30-10-6-16(7-11-30)14-29-9-8-20(22(15-29)34-5)28-23(31)17-12-18(26)19(27)13-21(17)33-4/h12-13,16,20,22H,6-11,14-15,27H2,1-5H3,(H,28,31)/t20-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Agonist activity at 5-HT4 receptor in rat esophageal thoracic muscularis mucosae assessed as carbachol-induced contraction				Eur J Med Chem 109: 75-88 (2016) Article DOI: 10.1016/j.ejmech.2015.12.006 BindingDB Entry DOI: 10.7270/Q2TT4SSP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	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	n/a	n/a	n/a	n/a	102	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Agonist activity at 5-HT4 receptor in rat esophageal thoracic muscularis mucosae assessed as carbachol-induced contraction				Eur J Med Chem 109: 75-88 (2016) Article DOI: 10.1016/j.ejmech.2015.12.006 BindingDB Entry DOI: 10.7270/Q2TT4SSP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50142915 (CHEMBL3758932) Show SMILES CO[C@@H]1CN(CCCn2cccc2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r| Show InChI InChI=1S/C21H29ClN4O3/c1-28-19-13-17(23)16(22)12-15(19)21(27)24-18-6-11-26(14-20(18)29-2)10-5-9-25-7-3-4-8-25/h3-4,7-8,12-13,18,20H,5-6,9-11,14,23H2,1-2H3,(H,24,27)/t18-,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	676	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Agonist activity at 5-HT4 receptor in rat esophageal thoracic muscularis mucosae assessed as carbachol-induced contraction				Eur J Med Chem 109: 75-88 (2016) Article DOI: 10.1016/j.ejmech.2015.12.006 BindingDB Entry DOI: 10.7270/Q2TT4SSP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50142906 (CHEMBL3759348) Show SMILES CCC(=O)N1CCCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)C1 |r| Show InChI InChI=1S/C23H35ClN4O4/c1-4-22(29)28-8-5-6-15(13-28)12-27-9-7-19(21(14-27)32-3)26-23(30)16-10-17(24)18(25)11-20(16)31-2/h10-11,15,19,21H,4-9,12-14,25H2,1-3H3,(H,26,30)/t15?,19-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Agonist activity at 5-HT4 receptor in rat esophageal thoracic muscularis mucosae assessed as carbachol-induced contraction				Eur J Med Chem 109: 75-88 (2016) Article DOI: 10.1016/j.ejmech.2015.12.006 BindingDB Entry DOI: 10.7270/Q2TT4SSP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50142913 (CHEMBL3759601) Show SMILES CO[C@@H]1CN(CCCn2cncn2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r| Show InChI InChI=1S/C19H27ClN6O3/c1-28-17-9-15(21)14(20)8-13(17)19(27)24-16-4-7-25(10-18(16)29-2)5-3-6-26-12-22-11-23-26/h8-9,11-12,16,18H,3-7,10,21H2,1-2H3,(H,24,27)/t16-,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	708	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Agonist activity at 5-HT4 receptor in rat esophageal thoracic muscularis mucosae assessed as carbachol-induced contraction				Eur J Med Chem 109: 75-88 (2016) Article DOI: 10.1016/j.ejmech.2015.12.006 BindingDB Entry DOI: 10.7270/Q2TT4SSP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50142910 (CHEMBL3758945) Show SMILES CO[C@@H]1CN(CCC(=O)N2CCCCC2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r| Show InChI InChI=1S/C22H33ClN4O4/c1-30-19-13-17(24)16(23)12-15(19)22(29)25-18-6-10-26(14-20(18)31-2)11-7-21(28)27-8-4-3-5-9-27/h12-13,18,20H,3-11,14,24H2,1-2H3,(H,25,29)/t18-,20+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Agonist activity at 5-HT4 receptor in rat esophageal thoracic muscularis mucosae assessed as carbachol-induced contraction				Eur J Med Chem 109: 75-88 (2016) Article DOI: 10.1016/j.ejmech.2015.12.006 BindingDB Entry DOI: 10.7270/Q2TT4SSP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50142909 (CHEMBL3759928) Show SMILES CO[C@@H]1CN(CCC(=O)N2CCC(Cc3ccccc3)CC2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r| Show InChI InChI=1S/C29H39ClN4O4/c1-37-26-18-24(31)23(30)17-22(26)29(36)32-25-10-12-33(19-27(25)38-2)13-11-28(35)34-14-8-21(9-15-34)16-20-6-4-3-5-7-20/h3-7,17-18,21,25,27H,8-16,19,31H2,1-2H3,(H,32,36)/t25-,27+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.03E+3	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Agonist activity at 5-HT4 receptor in rat esophageal thoracic muscularis mucosae assessed as carbachol-induced contraction				Eur J Med Chem 109: 75-88 (2016) Article DOI: 10.1016/j.ejmech.2015.12.006 BindingDB Entry DOI: 10.7270/Q2TT4SSP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50142907 (CHEMBL3759259) Show SMILES CCC(=O)N1CCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)CC1 |r| Show InChI InChI=1S/C23H35ClN4O4/c1-4-22(29)28-9-5-15(6-10-28)13-27-8-7-19(21(14-27)32-3)26-23(30)16-11-17(24)18(25)12-20(16)31-2/h11-12,15,19,21H,4-10,13-14,25H2,1-3H3,(H,26,30)/t19-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	380	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Agonist activity at 5-HT4 receptor in rat esophageal thoracic muscularis mucosae assessed as carbachol-induced contraction				Eur J Med Chem 109: 75-88 (2016) Article DOI: 10.1016/j.ejmech.2015.12.006 BindingDB Entry DOI: 10.7270/Q2TT4SSP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM50142914 (CHEMBL3758199) Show SMILES CO[C@@H]1CN(CCCn2ccnc2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r| Show InChI InChI=1S/C20H28ClN5O3/c1-28-18-11-16(22)15(21)10-14(18)20(27)24-17-4-8-25(12-19(17)29-2)6-3-7-26-9-5-23-13-26/h5,9-11,13,17,19H,3-4,6-8,12,22H2,1-2H3,(H,24,27)/t17-,19+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	251	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Agonist activity at 5-HT4 receptor in rat esophageal thoracic muscularis mucosae assessed as carbachol-induced contraction				Eur J Med Chem 109: 75-88 (2016) Article DOI: 10.1016/j.ejmech.2015.12.006 BindingDB Entry DOI: 10.7270/Q2TT4SSP
					More data for this Ligand-Target Pair