Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50006803   

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
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50503426 (CHEMBL4579933) Show SMILES OC(=O)\C=C\C(O)=O.C(C1CN2CCC1CC2)c1nc(no1)-c1cccs1 |THB:8:9:12.13:16.15,(56.33,-20.95,;55.01,-20.19,;55.01,-18.67,;53.69,-20.95,;52.36,-20.19,;51.05,-20.95,;49.72,-20.19,;51.05,-22.48,;56.73,-15.27,;55.31,-15.89,;54.78,-17.46,;53.32,-16.75,;51.96,-17.3,;52.57,-15.88,;54.06,-15.32,;54.12,-13.8,;53.38,-14.91,;57.98,-16.19,;59.46,-15.72,;60.36,-16.97,;59.44,-18.22,;57.97,-17.73,;61.9,-16.98,;62.81,-15.74,;64.27,-16.23,;64.26,-17.77,;62.79,-18.24,)| Show InChI InChI=1S/C14H17N3OS.C4H4O4/c1-2-12(19-7-1)14-15-13(18-16-14)8-11-9-17-5-3-10(11)4-6-17;5-3(6)1-2-4(7)8/h1-2,7,10-11H,3-6,8-9H2;1-2H,(H,5,6)(H,7,8)/b;2-1+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	<3.00E+4	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description Partial agonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes at -60 mV holding potential treated for 12 secs followed by compou...				Eur J Med Chem 160: 207-228 (2018) Article DOI: 10.1016/j.ejmech.2018.10.015 BindingDB Entry DOI: 10.7270/Q28K7DB2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50503429 (CHEMBL4457159) Show SMILES OC(=O)\C=C\C(O)=O.COc1ccc(cc1)-c1noc(CC2CN3CCC2CC3)n1 |THB:20:21:24.25:28.27,(34.24,-29.06,;32.92,-28.29,;32.92,-26.76,;31.6,-29.06,;30.27,-28.29,;28.95,-29.06,;27.62,-28.29,;28.95,-30.58,;44.8,-26.3,;44.04,-24.96,;42.49,-24.95,;41.71,-26.28,;40.17,-26.27,;39.41,-24.93,;40.18,-23.6,;41.72,-23.6,;37.87,-24.92,;36.95,-26.16,;35.49,-25.67,;35.5,-24.13,;34.26,-23.21,;32.84,-23.83,;32.31,-25.41,;30.85,-24.69,;29.5,-25.24,;30.1,-23.82,;31.59,-23.27,;31.65,-21.75,;30.91,-22.86,;36.97,-23.66,)| Show InChI InChI=1S/C17H21N3O2.C4H4O4/c1-21-15-4-2-13(3-5-15)17-18-16(22-19-17)10-14-11-20-8-6-12(14)7-9-20;5-3(6)1-2-4(7)8/h2-5,12,14H,6-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	<3.00E+4	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description Partial agonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes at -60 mV holding potential treated for 12 secs followed by compou...				Eur J Med Chem 160: 207-228 (2018) Article DOI: 10.1016/j.ejmech.2018.10.015 BindingDB Entry DOI: 10.7270/Q28K7DB2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50503428 (CHEMBL4437122) Show SMILES OC(=O)\C=C\C(O)=O.C(C1CN2CCC1CC2)c1nc(no1)-c1ccccc1 |THB:8:9:12.13:16.15,(55.05,-29.92,;53.73,-29.16,;53.73,-27.63,;52.41,-29.92,;51.08,-29.16,;49.76,-29.92,;48.44,-29.16,;49.76,-31.45,;56.18,-24.03,;54.76,-24.65,;54.23,-26.22,;52.77,-25.51,;51.42,-26.05,;52.02,-24.64,;53.51,-24.08,;53.57,-22.57,;52.83,-23.67,;57.42,-24.94,;58.89,-24.48,;59.79,-25.73,;58.87,-26.97,;57.41,-26.49,;61.33,-25.74,;62.09,-27.09,;63.63,-27.1,;64.41,-25.77,;63.64,-24.42,;62.1,-24.41,)| Show InChI InChI=1S/C16H19N3O.C4H4O4/c1-2-4-13(5-3-1)16-17-15(20-18-16)10-14-11-19-8-6-12(14)7-9-19;5-3(6)1-2-4(7)8/h1-5,12,14H,6-11H2;1-2H,(H,5,6)(H,7,8)/b;2-1+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	<3.00E+4	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description Partial agonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes at -60 mV holding potential treated for 12 secs followed by compou...				Eur J Med Chem 160: 207-228 (2018) Article DOI: 10.1016/j.ejmech.2018.10.015 BindingDB Entry DOI: 10.7270/Q28K7DB2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50503425 (CHEMBL4448268) Show SMILES OC(=O)\C=C\C(O)=O.C(C1CN2CCC1CC2)c1nc(no1)-c1ccco1 |THB:8:9:12.13:16.15,(54.83,-11.77,;53.52,-11,;53.52,-9.48,;52.19,-11.77,;50.87,-11,;49.56,-11.77,;48.23,-11,;49.56,-13.29,;56.08,-5.9,;54.67,-6.52,;54.13,-8.1,;52.67,-7.39,;51.32,-7.93,;51.92,-6.51,;53.41,-5.96,;53.47,-4.44,;52.73,-5.54,;57.33,-6.82,;58.81,-6.35,;59.71,-7.61,;58.79,-8.85,;57.32,-8.36,;61.25,-7.62,;62.15,-6.38,;63.62,-6.86,;63.61,-8.4,;62.14,-8.87,)| Show InChI InChI=1S/C14H17N3O2.C4H4O4/c1-2-12(18-7-1)14-15-13(19-16-14)8-11-9-17-5-3-10(11)4-6-17;5-3(6)1-2-4(7)8/h1-2,7,10-11H,3-6,8-9H2;1-2H,(H,5,6)(H,7,8)/b;2-1+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	<3.00E+4	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description Partial agonist activity at human alpha7 nAChR expressed in Xenopus laevis oocytes at -60 mV holding potential treated for 12 secs followed by compou...				Eur J Med Chem 160: 207-228 (2018) Article DOI: 10.1016/j.ejmech.2018.10.015 BindingDB Entry DOI: 10.7270/Q28K7DB2
					More data for this Ligand-Target Pair