Compile Data Set for Download or QSAR

Found 6 hits of ec50 for UniProtKB: P23979   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
5-hydroxytryptamine receptor 3A (Mus musculus (house mouse))	BDBM50014550 (CHEMBL3261481 | US9045501, 7) Show SMILES O=C1N(CCn2ncc3cccc1c23)[C@@H]1CN2CCC1CC2 |r,wD:14.16,(5.44,-9.73,;6.92,-10.18,;7.97,-9.03,;9.51,-9.15,;10.38,-10.42,;9.94,-11.9,;10.88,-13.24,;9.97,-14.5,;8.49,-14.02,;7.16,-14.79,;5.83,-14.02,;5.83,-12.48,;7.16,-11.71,;8.5,-12.47,;7.41,-7.6,;5.88,-7.38,;5.32,-5.94,;6.28,-4.73,;7.8,-4.97,;8.36,-6.4,;7.41,-5.36,;6.65,-6.7,)| Show InChI InChI=1S/C17H20N4O/c22-17-14-3-1-2-13-10-18-21(16(13)14)9-8-20(17)15-11-19-6-4-12(15)5-7-19/h1-3,10,12,15H,4-9,11H2/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	178	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Agonist activity at mouse 5-HT3A receptor expressed in HEK293 cells in presence of carbachol				Bioorg Med Chem Lett 24: 2578-81 (2014) Article DOI: 10.1016/j.bmcl.2014.03.074 BindingDB Entry DOI: 10.7270/Q2DZ09VX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Mus musculus (house mouse))	BDBM50014551 (CHEMBL3261482) Show SMILES Fc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2 |r,wD:15.17,(13.49,-14.18,;14.83,-13.41,;14.83,-11.87,;16.16,-11.1,;15.92,-9.57,;14.45,-9.12,;16.97,-8.43,;18.51,-8.55,;19.38,-9.82,;18.94,-11.29,;19.88,-12.64,;18.97,-13.89,;17.49,-13.41,;16.16,-14.18,;17.5,-11.87,;16.41,-6.99,;14.88,-6.77,;14.32,-5.33,;15.28,-4.13,;16.81,-4.36,;17.36,-5.79,;16.41,-4.76,;15.65,-6.09,)| Show InChI InChI=1S/C17H19FN4O/c18-13-7-12-9-19-22-6-5-21(17(23)14(8-13)16(12)22)15-10-20-3-1-11(15)2-4-20/h7-9,11,15H,1-6,10H2/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	178	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Agonist activity at mouse 5-HT3A receptor expressed in HEK293 cells in presence of carbachol				Bioorg Med Chem Lett 24: 2578-81 (2014) Article DOI: 10.1016/j.bmcl.2014.03.074 BindingDB Entry DOI: 10.7270/Q2DZ09VX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Mus musculus (house mouse))	BDBM50014552 (CHEMBL3261483 | US9045501, 8) Show SMILES Clc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2 |r,wD:15.17,(22.97,-13.82,;24.31,-13.05,;24.31,-11.51,;25.64,-10.74,;25.4,-9.21,;23.93,-8.77,;26.45,-8.07,;27.99,-8.19,;28.86,-9.46,;28.42,-10.93,;29.36,-12.28,;28.45,-13.53,;26.97,-13.05,;25.64,-13.82,;26.98,-11.51,;25.89,-6.64,;24.36,-6.41,;23.8,-4.97,;24.76,-3.77,;26.29,-4,;26.84,-5.43,;25.89,-4.4,;25.13,-5.74,)| Show InChI InChI=1S/C17H19ClN4O/c18-13-7-12-9-19-22-6-5-21(17(23)14(8-13)16(12)22)15-10-20-3-1-11(15)2-4-20/h7-9,11,15H,1-6,10H2/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	178	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Agonist activity at mouse 5-HT3A receptor expressed in HEK293 cells in presence of carbachol				Bioorg Med Chem Lett 24: 2578-81 (2014) Article DOI: 10.1016/j.bmcl.2014.03.074 BindingDB Entry DOI: 10.7270/Q2DZ09VX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Mus musculus (house mouse))	BDBM50014554 (CHEMBL3261485) Show SMILES COc1cc2C(=O)N(CCn3ncc(c1)c23)[C@@H]1CN2CCC1CC2 |r,wD:16.18,(1.85,-13.55,;3.19,-14.32,;4.52,-13.55,;4.52,-12.01,;5.85,-11.24,;5.61,-9.71,;4.14,-9.26,;6.67,-8.57,;8.2,-8.69,;9.08,-9.96,;8.63,-11.43,;9.57,-12.78,;8.66,-14.03,;7.19,-13.55,;5.85,-14.32,;7.19,-12.01,;6.1,-7.13,;4.57,-6.91,;4.01,-5.47,;4.98,-4.27,;6.5,-4.5,;7.06,-5.93,;6.1,-4.9,;5.34,-6.23,)| Show InChI InChI=1S/C18H22N4O2/c1-24-14-8-13-10-19-22-7-6-21(18(23)15(9-14)17(13)22)16-11-20-4-2-12(16)3-5-20/h8-10,12,16H,2-7,11H2,1H3/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	178	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Agonist activity at mouse 5-HT3A receptor expressed in HEK293 cells in presence of carbachol				Bioorg Med Chem Lett 24: 2578-81 (2014) Article DOI: 10.1016/j.bmcl.2014.03.074 BindingDB Entry DOI: 10.7270/Q2DZ09VX
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Mus musculus (house mouse))	BDBM50053615 (3-Chloro-Phenyl biguanide | CHEMBL13790 | N-(3-chl...) Show SMILES NC(=N)N=C(N)Nc1cccc(Cl)c1 |w:3.2| Show InChI InChI=1S/C8H10ClN5/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a
Virtua Drug Ltd Curated by ChEMBL					Assay Description Agonist activity at wild type mouse 5HT3A receptor expressed in Xenopus oocyte by two-electrode voltage patch clamp method				Bioorg Med Chem 17: 5796-805 (2009) Article DOI: 10.1016/j.bmc.2009.07.022 BindingDB Entry DOI: 10.7270/Q2HH6M1M
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Mus musculus (house mouse))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a
Virtua Drug Ltd Curated by ChEMBL					Assay Description Agonist activity at wild type mouse 5HT3A receptor expressed in Xenopus oocyte by two-electrode voltage patch clamp method				Bioorg Med Chem 17: 5796-805 (2009) Article DOI: 10.1016/j.bmc.2009.07.022 BindingDB Entry DOI: 10.7270/Q2HH6M1M
					More data for this Ligand-Target Pair				3D Structure (crystal)