Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 7497   

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 (Homo sapiens (Human))	BDBM198005 (US9221790, 15) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCNC(Cc2c[nH]c3ccccc23)C1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00200	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd. US Patent					Assay Description The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...				US Patent US9221790 (2015) BindingDB Entry DOI: 10.7270/Q2F47MZP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM197995 (US9221790, 5) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCCCn2ccc3ccccc23)CC1 Show InChI InChI=1S/C27H35ClN4O2/c1-34-26-18-24(29)23(28)17-22(26)27(33)30-19-20-9-14-31(15-10-20)12-5-2-6-13-32-16-11-21-7-3-4-8-25(21)32/h3-4,7-8,11,16-18,20H,2,5-6,9-10,12-15,19,29H2,1H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd. US Patent					Assay Description The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...				US Patent US9221790 (2015) BindingDB Entry DOI: 10.7270/Q2F47MZP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM197993 (US9221790, 3) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2ccc3ccccc23)CC1 Show InChI InChI=1S/C25H31ClN4O2/c1-32-24-16-22(27)21(26)15-20(24)25(31)28-17-18-7-12-29(13-8-18)10-4-11-30-14-9-19-5-2-3-6-23(19)30/h2-3,5-6,9,14-16,18H,4,7-8,10-13,17,27H2,1H3,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0390	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd. US Patent					Assay Description The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...				US Patent US9221790 (2015) BindingDB Entry DOI: 10.7270/Q2F47MZP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM197997 (US9221790, 7) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2ccnn2)CC1 Show InChI InChI=1S/C19H27ClN6O2/c1-28-18-12-17(21)16(20)11-15(18)19(27)22-13-14-3-8-25(9-4-14)6-2-7-26-10-5-23-24-26/h5,10-12,14H,2-4,6-9,13,21H2,1H3,(H,22,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0670	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd. US Patent					Assay Description The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...				US Patent US9221790 (2015) BindingDB Entry DOI: 10.7270/Q2F47MZP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM198000 (US9221790, 10) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2cn(C)c3ccccc23)CC1 Show InChI InChI=1S/C24H29ClN4O2/c1-28-14-17(18-5-3-4-6-22(18)28)15-29-9-7-16(8-10-29)13-27-24(30)19-11-20(25)21(26)12-23(19)31-2/h3-6,11-12,14,16H,7-10,13,15,26H2,1-2H3,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0760	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd. US Patent					Assay Description The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...				US Patent US9221790 (2015) BindingDB Entry DOI: 10.7270/Q2F47MZP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM197996 (US9221790, 6) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCCCn2ccnn2)CC1 Show InChI InChI=1S/C21H31ClN6O2/c1-30-20-14-19(23)18(22)13-17(20)21(29)24-15-16-5-10-27(11-6-16)8-3-2-4-9-28-12-7-25-26-28/h7,12-14,16H,2-6,8-11,15,23H2,1H3,(H,24,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.103	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd. US Patent					Assay Description The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...				US Patent US9221790 (2015) BindingDB Entry DOI: 10.7270/Q2F47MZP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM198003 (US9221790, 13) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2ccc(F)cc2)CC1 Show InChI InChI=1S/C21H25ClFN3O2/c1-28-20-11-19(24)18(22)10-17(20)21(27)25-12-14-6-8-26(9-7-14)13-15-2-4-16(23)5-3-15/h2-5,10-11,14H,6-9,12-13,24H2,1H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.134	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd. US Patent					Assay Description The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...				US Patent US9221790 (2015) BindingDB Entry DOI: 10.7270/Q2F47MZP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM197992 (US9221790, 2) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2cnnn2)CC1 Show InChI InChI=1S/C18H26ClN7O2/c1-28-17-10-16(20)15(19)9-14(17)18(27)21-11-13-3-7-25(8-4-13)5-2-6-26-12-22-23-24-26/h9-10,12-13H,2-8,11,20H2,1H3,(H,21,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.164	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd. US Patent					Assay Description The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...				US Patent US9221790 (2015) BindingDB Entry DOI: 10.7270/Q2F47MZP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM197998 (US9221790, 8) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2nccn2)CC1 Show InChI InChI=1S/C19H27ClN6O2/c1-28-18-12-17(21)16(20)11-15(18)19(27)22-13-14-3-9-25(10-4-14)7-2-8-26-23-5-6-24-26/h5-6,11-12,14H,2-4,7-10,13,21H2,1H3,(H,22,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.182	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd. US Patent					Assay Description The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...				US Patent US9221790 (2015) BindingDB Entry DOI: 10.7270/Q2F47MZP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM197991 (US9221790, 1) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2cncn2)CC1 Show InChI InChI=1S/C19H27ClN6O2/c1-28-18-10-17(21)16(20)9-15(18)19(27)23-11-14-3-7-25(8-4-14)5-2-6-26-13-22-12-24-26/h9-10,12-14H,2-8,11,21H2,1H3,(H,23,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.226	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd. US Patent					Assay Description The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...				US Patent US9221790 (2015) BindingDB Entry DOI: 10.7270/Q2F47MZP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM197994 (US9221790, 4) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2ccnc2C)CC1 Show InChI InChI=1S/C21H30ClN5O2/c1-15-24-6-11-27(15)8-3-7-26-9-4-16(5-10-26)14-25-21(28)17-12-18(22)19(23)13-20(17)29-2/h6,11-13,16H,3-5,7-10,14,23H2,1-2H3,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.229	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd. US Patent					Assay Description The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...				US Patent US9221790 (2015) BindingDB Entry DOI: 10.7270/Q2F47MZP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM197999 (US9221790, 9) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2cccnc2)CC1 Show InChI InChI=1S/C20H25ClN4O2/c1-27-19-10-18(22)17(21)9-16(19)20(26)24-12-14-4-7-25(8-5-14)13-15-3-2-6-23-11-15/h2-3,6,9-11,14H,4-5,7-8,12-13,22H2,1H3,(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.267	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd. US Patent					Assay Description The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...				US Patent US9221790 (2015) BindingDB Entry DOI: 10.7270/Q2F47MZP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50005836 (4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...) Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC 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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	0.362	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd. US Patent					Assay Description The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...				US Patent US9221790 (2015) BindingDB Entry DOI: 10.7270/Q2F47MZP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM198004 (US9221790, 14) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2ccc(O)cc2)CC1 Show InChI InChI=1S/C21H26ClN3O3/c1-28-20-11-19(23)18(22)10-17(20)21(27)24-12-14-6-8-25(9-7-14)13-15-2-4-16(26)5-3-15/h2-5,10-11,14,26H,6-9,12-13,23H2,1H3,(H,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.375	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd. US Patent					Assay Description The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...				US Patent US9221790 (2015) BindingDB Entry DOI: 10.7270/Q2F47MZP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM198002 (US9221790, 12) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2cccn2C)CC1 Show InChI InChI=1S/C20H27ClN4O2/c1-24-7-3-4-15(24)13-25-8-5-14(6-9-25)12-23-20(26)16-10-17(21)18(22)11-19(16)27-2/h3-4,7,10-11,14H,5-6,8-9,12-13,22H2,1-2H3,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.421	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd. US Patent					Assay Description The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...				US Patent US9221790 (2015) BindingDB Entry DOI: 10.7270/Q2F47MZP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM198001 (US9221790, 11) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(Cc2ncc[nH]2)CC1 Show InChI InChI=1S/C18H24ClN5O2/c1-26-16-9-15(20)14(19)8-13(16)18(25)23-10-12-2-6-24(7-3-12)11-17-21-4-5-22-17/h4-5,8-9,12H,2-3,6-7,10-11,20H2,1H3,(H,21,22)(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.454	n/a	n/a	n/a	n/a	n/a	n/a
Dong-A Pharm. Co., Ltd. US Patent					Assay Description The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al.,...				US Patent US9221790 (2015) BindingDB Entry DOI: 10.7270/Q2F47MZP
					More data for this Ligand-Target Pair