Compile Data Set for Download or QSAR

Found 90 hits with Last Name = 'micheletti' and Initial = 'r'   

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 3A/3B (Rattus norvegicus-RAT)	BDBM50007887 (3-Methyl-2-oxo-2,3-dihydro-benzoimidazole-1-carbox...) Show SMILES CN1C2CCCC1CC(C2)NC(=O)n1c2ccccc2n(C)c1=O |THB:10:8:1:3.5.4| Show InChI InChI=1S/C18H24N4O2/c1-20-13-6-5-7-14(20)11-12(10-13)19-17(23)22-16-9-4-3-8-15(16)21(2)18(22)24/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007868 (2-Oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid...) Show SMILES CN1C2CCCC1CC(C2)NC(=O)n1c2ccccc2[nH]c1=O |THB:10:8:1:3.5.4| Show InChI InChI=1S/C17H22N4O2/c1-20-12-5-4-6-13(20)10-11(9-12)18-16(22)21-15-8-3-2-7-14(15)19-17(21)23/h2-3,7-8,11-13H,4-6,9-10H2,1H3,(H,18,22)(H,19,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007879 (3-Methyl-2-oxo-2,3-dihydro-benzoimidazole-1-carbox...) Show SMILES CN1C2CCC1CC(C2)NC(=O)n1c2ccccc2n(C)c1=O |THB:9:7:1:3.4| Show InChI InChI=1S/C17H22N4O2/c1-19-12-7-8-13(19)10-11(9-12)18-16(22)21-15-6-4-3-5-14(15)20(2)17(21)23/h3-6,11-13H,7-10H2,1-2H3,(H,18,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50108392 ((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1| Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007884 (2-Oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid...) Show SMILES O=C(NC1CN2CCC1CC2)n1c2ccccc2[nH]c1=O |THB:2:3:7.6:9.10,(2.42,-9.19,;3.37,-10.41,;4.89,-10.18,;6.01,-9.14,;6.78,-7.92,;8.5,-7.15,;8.22,-5.37,;7.26,-6.33,;7.67,-8.26,;9.25,-9.22,;10.05,-8.08,;2.77,-11.82,;1.29,-12.32,;-.02,-11.56,;-1.35,-12.33,;-1.35,-13.87,;-.02,-14.64,;1.32,-13.87,;2.8,-14.34,;3.7,-13.07,;5.24,-13.07,)| Show InChI InChI=1S/C15H18N4O2/c20-14-16-11-3-1-2-4-13(11)19(14)15(21)17-12-9-18-7-5-10(12)6-8-18/h1-4,10,12H,5-9H2,(H,16,20)(H,17,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007870 (2-Oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid...) Show SMILES CN1C2CCCC1CC(C2)OC(=O)n1c2ccccc2[nH]c1=O |THB:10:8:1:3.5.4| Show InChI InChI=1S/C17H21N3O3/c1-19-11-5-4-6-12(19)10-13(9-11)23-17(22)20-15-8-3-2-7-14(15)18-16(20)21/h2-3,7-8,11-13H,4-6,9-10H2,1H3,(H,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007872 (3-Ethyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxy...) Show SMILES CCn1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O |TLB:12:13:20:16.17| Show InChI InChI=1S/C18H24N4O2/c1-3-21-15-6-4-5-7-16(15)22(18(21)24)17(23)19-12-10-13-8-9-14(11-12)20(13)2/h4-7,12-14H,3,8-11H2,1-2H3,(H,19,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007886 (2-Oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid...) Show SMILES CN1C2CCC1CC(C2)NC(=O)n1c2ccccc2[nH]c1=O |THB:9:7:1:3.4| Show InChI InChI=1S/C16H20N4O2/c1-19-11-6-7-12(19)9-10(8-11)17-15(21)20-14-5-3-2-4-13(14)18-16(20)22/h2-5,10-12H,6-9H2,1H3,(H,17,21)(H,18,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007881 (4-Methyl-2-oxo-2,3-dihydro-benzoimidazole-1-carbox...) Show SMILES CN1C2CCC1CC(C2)OC(=O)n1c2cccc(C)c2[nH]c1=O |THB:9:7:1:3.4| Show InChI InChI=1S/C17H21N3O3/c1-10-4-3-5-14-15(10)18-16(21)20(14)17(22)23-13-8-11-6-7-12(9-13)19(11)2/h3-5,11-13H,6-9H2,1-2H3,(H,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007858 (3-Methyl-2-oxo-2,3-dihydro-benzoimidazole-1-carbox...) Show SMILES CN1C2CCC1CC(C2)OC(=O)n1c2ccccc2n(C)c1=O |THB:9:7:1:3.4| Show InChI InChI=1S/C17H21N3O3/c1-18-11-7-8-12(18)10-13(9-11)23-17(22)20-15-6-4-3-5-14(15)19(2)16(20)21/h3-6,11-13H,7-10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007882 (2-Oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid...) Show SMILES O=C(OC1CN2CCC1CC2)n1c2ccccc2[nH]c1=O |THB:2:3:7.6:9.10,(4.68,-13,;5.62,-14.22,;7.14,-14.01,;8.27,-12.95,;9.04,-11.73,;10.74,-10.96,;10.47,-9.2,;9.51,-10.16,;9.91,-12.09,;11.5,-13.04,;12.3,-11.89,;5.04,-15.64,;3.57,-16.12,;2.24,-15.37,;.91,-16.14,;.91,-17.68,;2.24,-18.45,;3.57,-17.68,;5.06,-18.14,;5.97,-16.89,;7.51,-16.89,)| Show InChI InChI=1S/C15H17N3O3/c19-14-16-11-3-1-2-4-12(11)18(14)15(20)21-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007888 (3-Ethyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxy...) Show SMILES CCn1c2ccccc2n(C(=O)OC2CC3CCC(C2)N3C)c1=O |TLB:12:13:20:16.17| Show InChI InChI=1S/C18H23N3O3/c1-3-20-15-6-4-5-7-16(15)21(17(20)22)18(23)24-14-10-12-8-9-13(11-14)19(12)2/h4-7,12-14H,3,8-11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007857 (2-Oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid...) Show SMILES O=C(NC1CCN2CCCC1C2)n1c2ccccc2[nH]c1=O |TLB:2:3:11:7.9.8| Show InChI InChI=1S/C16H20N4O2/c21-15(17-12-7-9-19-8-3-4-11(12)10-19)20-14-6-2-1-5-13(14)18-16(20)22/h1-2,5-6,11-12H,3-4,7-10H2,(H,17,21)(H,18,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007874 (2-Oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid...) Show SMILES CN1C2CCC1CC(C2)OC(=O)n1c2ccccc2[nH]c1=O |THB:9:7:1:3.4| Show InChI InChI=1S/C16H19N3O3/c1-18-10-6-7-11(18)9-12(8-10)22-16(21)19-14-5-3-2-4-13(14)17-15(19)20/h2-5,10-12H,6-9H2,1H3,(H,17,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM82561 (CAS_40796-97-2 | TROPANYL 3,5-DICHLOROBENZOATE | T...) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C15H17Cl2NO2/c1-18-12-2-3-13(18)8-14(7-12)20-15(19)9-4-10(16)6-11(17)5-9/h4-6,12-14H,2-3,7-8H2,1H3/t12-,13+,14+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007869 (5-Fluoro-2-oxo-2,3-dihydro-benzoimidazole-1-carbox...) Show SMILES CN1C2CCC1CC(C2)OC(=O)n1c2ccc(F)cc2[nH]c1=O |THB:9:7:1:3.4| Show InChI InChI=1S/C16H18FN3O3/c1-19-10-3-4-11(19)8-12(7-10)23-16(22)20-14-5-2-9(17)6-13(14)18-15(20)21/h2,5-6,10-12H,3-4,7-8H2,1H3,(H,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007885 (6-Fluoro-2-oxo-2,3-dihydro-benzoimidazole-1-carbox...) Show SMILES CN1C2CCC1CC(C2)OC(=O)n1c2cc(F)ccc2[nH]c1=O |THB:9:7:1:3.4| Show InChI InChI=1S/C16H18FN3O3/c1-19-10-3-4-11(19)8-12(7-10)23-16(22)20-14-6-9(17)2-5-13(14)18-15(20)21/h2,5-6,10-12H,3-4,7-8H2,1H3,(H,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007893 (8,8-Dimethyl-3-(2-oxo-2,3-dihydro-benzoimidazole-1...) Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)n1c2ccccc2[nH]c1=O |THB:10:8:1:4.5| Show InChI InChI=1S/C17H21N3O3/c1-20(2)11-7-8-12(20)10-13(9-11)23-17(22)19-15-6-4-3-5-14(15)18-16(19)21/h3-6,11-13H,7-10H2,1-2H3/p+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007873 (2-Oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid...) Show SMILES O=C(OC1CCNCC1)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C13H15N3O3/c17-12-15-10-3-1-2-4-11(10)16(12)13(18)19-9-5-7-14-8-6-9/h1-4,9,14H,5-8H2,(H,15,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007897 (2-Oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid...) Show SMILES CN1C2CCCC1CC(C2)NC(=O)n1c2ccccc2[nH]c1=O |TLB:10:8:1:3.5.4| Show InChI InChI=1S/C17H22N4O2/c1-20-12-5-4-6-13(20)10-11(9-12)18-16(22)21-15-8-3-2-7-14(15)19-17(21)23/h2-3,7-8,11-13H,4-6,9-10H2,1H3,(H,18,22)(H,19,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007860 (7-Methyl-2-oxo-2,3-dihydro-benzoimidazole-1-carbox...) Show SMILES CN1C2CCC1CC(C2)OC(=O)n1c2c(C)cccc2[nH]c1=O |THB:9:7:1:3.4| Show InChI InChI=1S/C17H21N3O3/c1-10-4-3-5-14-15(10)20(16(21)18-14)17(22)23-13-8-11-6-7-12(9-13)19(11)2/h3-5,11-13H,6-9H2,1-2H3,(H,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	306	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007866 (2-Oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid...) Show SMILES CN1CCC(CC1)NC(=O)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C14H18N4O2/c1-17-8-6-10(7-9-17)15-13(19)18-12-5-3-2-4-11(12)16-14(18)20/h2-5,10H,6-9H2,1H3,(H,15,19)(H,16,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	436	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007878 (2-Oxo-5-trifluoromethyl-2,3-dihydro-benzoimidazole...) Show SMILES CN1C2CCC1CC(C2)OC(=O)n1c2ccc(cc2[nH]c1=O)C(F)(F)F |THB:9:7:1:3.4| Show InChI InChI=1S/C17H18F3N3O3/c1-22-10-3-4-11(22)8-12(7-10)26-16(25)23-14-5-2-9(17(18,19)20)6-13(14)21-15(23)24/h2,5-6,10-12H,3-4,7-8H2,1H3,(H,21,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007890 (6-Acetyl-2-oxo-2,3-dihydro-benzoimidazole-1-carbox...) Show SMILES CN1C2CCC1CC(C2)OC(=O)n1c2cc(ccc2[nH]c1=O)C(C)=O |THB:9:7:1:3.4| Show InChI InChI=1S/C18H21N3O4/c1-10(22)11-3-6-15-16(7-11)21(17(23)19-15)18(24)25-14-8-12-4-5-13(9-14)20(12)2/h3,6-7,12-14H,4-5,8-9H2,1-2H3,(H,19,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007892 (2-Oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid...) Show SMILES CN1C2CCC1CC(C2)NC(=O)n1c2ccccc2[nH]c1=O |TLB:9:7:1:3.4| Show InChI InChI=1S/C16H20N4O2/c1-19-11-6-7-12(19)9-10(8-11)17-15(21)20-14-5-3-2-4-13(14)18-16(20)22/h2-5,10-12H,6-9H2,1H3,(H,17,21)(H,18,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007862 (2-Oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid...) Show SMILES CN(C1CC2CCCC(C1)N2C)C(=O)n1c2ccccc2[nH]c1=O |TLB:1:2:10:5.7.6| Show InChI InChI=1S/C18H24N4O2/c1-20-12-6-5-7-13(20)11-14(10-12)21(2)18(24)22-16-9-4-3-8-15(16)19-17(22)23/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007883 (2-Oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid...) Show SMILES CN1CC2CCC1CC2OC(=O)n1c2ccccc2[nH]c1=O |TLB:0:1:8.7:4.5,THB:9:8:1.2:4.5| Show InChI InChI=1S/C16H19N3O3/c1-18-9-10-6-7-11(18)8-14(10)22-16(21)19-13-5-3-2-4-12(13)17-15(19)20/h2-5,10-11,14H,6-9H2,1H3,(H,17,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007896 (2-Oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid...) Show SMILES CN1C2CCC1CC(C2)OC(=O)n1c2ccccc2[nH]c1=O |TLB:9:7:1:3.4| Show InChI InChI=1S/C16H19N3O3/c1-18-10-6-7-11(18)9-12(8-10)22-16(21)19-14-5-3-2-4-13(14)17-15(19)20/h2-5,10-12H,6-9H2,1H3,(H,17,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007864 (2-Oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid...) Show SMILES CC1CC(CC(C)N1C)OC(=O)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C16H21N3O3/c1-10-8-12(9-11(2)18(10)3)22-16(21)19-14-7-5-4-6-13(14)17-15(19)20/h4-7,10-12H,8-9H2,1-3H3,(H,17,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007895 (5-Chloro-2-oxo-2,3-dihydro-benzoimidazole-1-carbox...) Show SMILES CN1C2CCC1CC(C2)OC(=O)n1c2ccc(Cl)cc2[nH]c1=O |THB:9:7:1:3.4| Show InChI InChI=1S/C16H18ClN3O3/c1-19-10-3-4-11(19)8-12(7-10)23-16(22)20-14-5-2-9(17)6-13(14)18-15(20)21/h2,5-6,10-12H,3-4,7-8H2,1H3,(H,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007865 (2-Oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid...) Show SMILES O=C(OC12CCN(CC1)CC2)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C15H17N3O3/c19-13-16-11-3-1-2-4-12(11)18(13)14(20)21-15-5-8-17(9-6-15)10-7-15/h1-4H,5-10H2,(H,16,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007863 (6-Methoxy-2-oxo-2,3-dihydro-benzoimidazole-1-carbo...) Show SMILES COc1ccc2[nH]c(=O)n(C(=O)OC3CC4CCC(C3)N4C)c2c1 |TLB:12:13:20:16.17| Show InChI InChI=1S/C17H21N3O4/c1-19-10-3-4-11(19)8-13(7-10)24-17(22)20-15-9-12(23-2)5-6-14(15)18-16(20)21/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007880 (2-Oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid...) Show SMILES CN1C2CCCC1CC(C2)OC(=O)n1c2ccccc2[nH]c1=O |TLB:10:8:1:3.5.4| Show InChI InChI=1S/C17H21N3O3/c1-19-11-5-4-6-12(19)10-13(9-11)23-17(22)20-15-8-3-2-7-14(15)18-16(20)21/h2-3,7-8,11-13H,4-6,9-10H2,1H3,(H,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007891 (2-Oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid...) Show SMILES O=C(NC1CC2CCC(C1)N2Cc1ccccc1)n1c2ccccc2[nH]c1=O |TLB:2:3:10:6.7| Show InChI InChI=1S/C22H24N4O2/c27-21(26-20-9-5-4-8-19(20)24-22(26)28)23-16-12-17-10-11-18(13-16)25(17)14-15-6-2-1-3-7-15/h1-9,16-18H,10-14H2,(H,23,27)(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007889 (5-Methyl-2-oxo-2,3-dihydro-benzoimidazole-1-carbox...) Show SMILES CN1C2CCC1CC(C2)OC(=O)n1c2ccc(C)cc2[nH]c1=O |THB:9:7:1:3.4| Show InChI InChI=1S/C17H21N3O3/c1-10-3-6-15-14(7-10)18-16(21)20(15)17(22)23-13-8-11-4-5-12(9-13)19(11)2/h3,6-7,11-13H,4-5,8-9H2,1-2H3,(H,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007876 (5-Methoxy-2-oxo-2,3-dihydro-benzoimidazole-1-carbo...) Show SMILES COc1ccc2n(C(=O)OC3CC4CCC(C3)N4C)c(=O)[nH]c2c1 |TLB:9:10:17:13.14| Show InChI InChI=1S/C17H21N3O4/c1-19-10-3-4-11(19)8-13(7-10)24-17(22)20-15-6-5-12(23-2)9-14(15)18-16(20)21/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007859 (2-Oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid...) Show SMILES O=C(OC1CC2CCC(C1)N2Cc1ccccc1)n1c2ccccc2[nH]c1=O |TLB:2:3:10:6.7| Show InChI InChI=1S/C22H23N3O3/c26-21-23-19-8-4-5-9-20(19)25(21)22(27)28-18-12-16-10-11-17(13-18)24(16)14-15-6-2-1-3-7-15/h1-9,16-18H,10-14H2,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007894 (5,6-Dimethyl-2-oxo-2,3-dihydro-benzoimidazole-1-ca...) Show SMILES CN1C2CCC1CC(C2)OC(=O)n1c2cc(C)c(C)cc2[nH]c1=O |THB:9:7:1:3.4| Show InChI InChI=1S/C18H23N3O3/c1-10-6-15-16(7-11(10)2)21(17(22)19-15)18(23)24-14-8-12-4-5-13(9-14)20(12)3/h6-7,12-14H,4-5,8-9H2,1-3H3,(H,19,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007867 (2-Oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid...) Show SMILES CCN1C2CCC1CC(C2)OC(=O)n1c2ccccc2[nH]c1=O |THB:10:8:2:4.5| Show InChI InChI=1S/C17H21N3O3/c1-2-19-11-7-8-12(19)10-13(9-11)23-17(22)20-15-6-4-3-5-14(15)18-16(20)21/h3-6,11-13H,2,7-10H2,1H3,(H,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007875 (2-Oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid...) Show SMILES CN1C2CCC1C(C2)OC(=O)n1c2ccccc2[nH]c1=O |THB:8:6:1:4.3| Show InChI InChI=1S/C15H17N3O3/c1-17-9-6-7-12(17)13(8-9)21-15(20)18-11-5-3-2-4-10(11)16-14(18)19/h2-5,9,12-13H,6-8H2,1H3,(H,16,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50007877 (2-Oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid...) Show SMILES CN1CCC(CC1)OC(=O)n1c2ccccc2[nH]c1=O Show InChI InChI=1S/C14H17N3O3/c1-16-8-6-10(7-9-16)20-14(19)17-12-5-3-2-4-11(12)15-13(17)18/h2-5,10H,6-9H2,1H3,(H,15,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto De Angeli Curated by ChEMBL					Assay Description Concentration that inhibits the binding of radioligand, [3H]-ICS 205930, to 5-hydroxytryptamine 3 receptor from rat cortex				J Med Chem 33: 2101-8 (1990) BindingDB Entry DOI: 10.7270/Q22Z164J
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 2 (Homo sapiens (Human))	BDBM50131828 ((E,Z)10,13-Dimethyl-tetradecahydro-cyclopenta[a]ph...) Show SMILES C[C@]12CCC3C(CC(=O)[C@H]4C\C(CC[C@]34C)=N\OCCN)[C@@H]1CCC2=O Show InChI InChI=1S/C21H32N2O3/c1-20-7-5-13(23-26-10-9-22)11-17(20)18(24)12-14-15-3-4-19(25)21(15,2)8-6-16(14)20/h14-17H,3-12,22H2,1-2H3/b23-13+/t14?,15-,16?,17+,20+,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Prassis Istituto di Ricerche Sigma-Tau Curated by ChEMBL					Assay Description Inhibitory activity against Na+/K+ ATPase				J Med Chem 46: 3644-54 (2003) Article DOI: 10.1021/jm030830y BindingDB Entry DOI: 10.7270/Q24T6K47
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-1 (Canis familiaris)	BDBM50408439 (CHEMBL2068890) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2\C=C\C=O Show InChI InChI=1S/C22H34O3/c1-20-10-8-17(24)14-16(20)5-6-19-18(20)9-11-21(2)15(4-3-13-23)7-12-22(19,21)25/h3-4,13,15-19,24-25H,5-12,14H2,1-2H3/b4-3+/t15-,16+,17-,18-,19+,20-,21+,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Prassis Istituto di Ricerche Sigma-Tau Curated by ChEMBL					Assay Description In vitro inhibitory concentration against dog kidney Na+,K+-ATPase				J Med Chem 43: 2332-49 (2000) BindingDB Entry DOI: 10.7270/Q2KP82VV
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-1 (Canis familiaris)	BDBM50408921 (CHEMBL2068972) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2\C=C\C=C\CCCN Show InChI InChI=1S/C26H43NO2/c1-24-14-12-21(28)18-20(24)9-10-23-22(24)13-15-25(2)19(11-16-26(23,25)29)8-6-4-3-5-7-17-27/h3-4,6,8,19-23,28-29H,5,7,9-18,27H2,1-2H3/b4-3+,8-6+/t19-,20+,21-,22-,23+,24-,25+,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Prassis Istituto di Ricerche Sigma-Tau Curated by ChEMBL					Assay Description In vitro inhibitory concentration against dog kidney Na+,K+-ATPase				J Med Chem 43: 2332-49 (2000) BindingDB Entry DOI: 10.7270/Q2KP82VV
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-1 (Canis familiaris)	BDBM46355 (DIGOXIN | MLS000069819 | SMR000059217 | US10668094...) Show SMILES C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C |t:46| Show InChI InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Prassis Istituto di Ricerche Sigma-Tau Curated by ChEMBL					Assay Description In vitro inhibitory concentration against dog kidney Na+,K+-ATPase				J Med Chem 43: 2332-49 (2000) BindingDB Entry DOI: 10.7270/Q2KP82VV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium/potassium-transporting ATPase subunit alpha-1 (Canis familiaris)	BDBM66977 (3-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,...) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 |t:25| Show InChI InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Prassis Istituto di Ricerche Sigma-Tau Curated by ChEMBL					Assay Description In vitro inhibitory concentration against dog kidney Na+,K+-ATPase				J Med Chem 43: 2332-49 (2000) BindingDB Entry DOI: 10.7270/Q2KP82VV
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-1 (Canis familiaris)	BDBM50408917 (CHEMBL2068902) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2CCCCCCCN Show InChI InChI=1S/C26H47NO2/c1-24-14-12-21(28)18-20(24)9-10-23-22(24)13-15-25(2)19(11-16-26(23,25)29)8-6-4-3-5-7-17-27/h19-23,28-29H,3-18,27H2,1-2H3/t19-,20+,21-,22-,23+,24-,25+,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Prassis Istituto di Ricerche Sigma-Tau Curated by ChEMBL					Assay Description In vitro inhibitory concentration against dog kidney Na+,K+-ATPase				J Med Chem 43: 2332-49 (2000) BindingDB Entry DOI: 10.7270/Q2KP82VV
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-1 (Canis familiaris)	BDBM50408916 (CHEMBL2068975) Show SMILES C\C(C=O)=C/[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C Show InChI InChI=1S/C23H36O3/c1-15(14-24)12-17-6-11-23(26)20-5-4-16-13-18(25)7-9-21(16,2)19(20)8-10-22(17,23)3/h12,14,16-20,25-26H,4-11,13H2,1-3H3/b15-12+/t16-,17-,18+,19+,20-,21+,22-,23+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Prassis Istituto di Ricerche Sigma-Tau Curated by ChEMBL					Assay Description In vitro inhibitory concentration against dog kidney Na+,K+-ATPase				J Med Chem 43: 2332-49 (2000) BindingDB Entry DOI: 10.7270/Q2KP82VV
					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 2 (Homo sapiens (Human))	BDBM50131829 ((E)4,10,13-Trimethyl-tetradecahydro-cyclopenta[a]p...) Show SMILES C[C@H]1[C@@H]2C(=O)CC3[C@@H]4CCC(=O)[C@@]4(C)CCC3[C@@]2(C)CC\C1=N/OCCN Show InChI InChI=1S/C22H34N2O3/c1-13-17(24-27-11-10-23)7-9-22(3)16-6-8-21(2)15(4-5-19(21)26)14(16)12-18(25)20(13)22/h13-16,20H,4-12,23H2,1-3H3/b24-17+/t13-,14?,15+,16?,20-,21+,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Prassis Istituto di Ricerche Sigma-Tau Curated by ChEMBL					Assay Description Inhibitory activity against Na+/K+ ATPase				J Med Chem 46: 3644-54 (2003) Article DOI: 10.1021/jm030830y BindingDB Entry DOI: 10.7270/Q24T6K47
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-1 (Canis familiaris)	BDBM50408920 (CHEMBL2069058) Show SMILES CN(C)CCO\N=C\C=C\C=C\[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C Show InChI InChI=1S/C28H46N2O3/c1-26-14-12-23(31)20-22(26)9-10-25-24(26)13-15-27(2)21(11-16-28(25,27)32)8-6-5-7-17-29-33-19-18-30(3)4/h5-8,17,21-25,31-32H,9-16,18-20H2,1-4H3/b7-5+,8-6+,29-17+/t21-,22+,23-,24-,25+,26-,27+,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Prassis Istituto di Ricerche Sigma-Tau Curated by ChEMBL					Assay Description In vitro inhibitory concentration against dog kidney Na+,K+-ATPase				J Med Chem 43: 2332-49 (2000) BindingDB Entry DOI: 10.7270/Q2KP82VV
					More data for this Ligand-Target Pair

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