Compile Data Set for Download or QSAR

Found 30 hits of ic50 data for polymerid = 50002849,9680   

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
Acetylcholine receptor subunit alpha (Homo sapiens (Human))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of [3H]alpha-BGT binding to alpha1 nicotinic acetylcholine receptor in Homo sapiens (human) TE671 cells co-expressing gammaalpha1deltabeta...				J Agric Food Chem 48: 6016-24 (2000) Article DOI: 10.1021/jf000873c BindingDB Entry DOI: 10.7270/Q27H1NGG
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha (Homo sapiens (Human))	BDBM50416397 (CHEMBL1210515) Show SMILES O=C(Cn1nc(cc(Cc2ccco2)c1=O)C1CCCCC1)NC1Cc2ccccc2C1 Show InChI InChI=1S/C26H29N3O3/c30-25(27-22-13-19-9-4-5-10-20(19)14-22)17-29-26(31)21(15-23-11-6-12-32-23)16-24(28-29)18-7-2-1-3-8-18/h4-6,9-12,16,18,22H,1-3,7-8,13-15,17H2,(H,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human alpha1 nAChR in human TE671 cells				Bioorg Med Chem Lett 20: 4561-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.014 BindingDB Entry DOI: 10.7270/Q2959JSG
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha (Homo sapiens (Human))	BDBM50416396 (CHEMBL1210703) Show SMILES Cc1ccc(NC(=O)c2cc(c(s2)N2CCOCC2)-c2ccccc2)c(C)c1 Show InChI InChI=1S/C23H24N2O2S/c1-16-8-9-20(17(2)14-16)24-22(26)21-15-19(18-6-4-3-5-7-18)23(28-21)25-10-12-27-13-11-25/h3-9,14-15H,10-13H2,1-2H3,(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human alpha1 nAChR in human TE671 cells				Bioorg Med Chem Lett 20: 4561-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.014 BindingDB Entry DOI: 10.7270/Q2959JSG
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha (Homo sapiens (Human))	BDBM50381980 (CHEMBL2022495) Show SMILES COc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCCCC2)o1 Show InChI InChI=1S/C24H28FN5O3/c1-32-21-16-17(27-22(31)18-8-3-4-9-20(18)25)10-11-19(21)23-28-29-24(33-23)26-12-7-15-30-13-5-2-6-14-30/h3-4,8-11,16H,2,5-7,12-15H2,1H3,(H,26,29)(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at alpha1 nAChR				Bioorg Med Chem Lett 22: 3560-3 (2012) Article DOI: 10.1016/j.bmcl.2012.03.040 BindingDB Entry DOI: 10.7270/Q21V5FZC
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha (Homo sapiens (Human))	BDBM50413330 (CHEMBL459689) Show SMILES CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccc2n(C)ccc2c1 Show InChI InChI=1S/C22H27N3O/c1-23-13-10-18-14-17(7-9-21(18)23)6-8-20-15-19(22(26)24(20)2)16-25-11-4-3-5-12-25/h7,9-10,13-14,19-20H,3-5,11-12,15-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Antagonist activity at human alpha-1-beta-1-gamma-delta nAChR expressed in human TE671 cells by calcium influx assay				Bioorg Med Chem Lett 19: 1287-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.073 BindingDB Entry DOI: 10.7270/Q2GM875B
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha (Homo sapiens (Human))	BDBM50352784 (CHEMBL1823380) Show SMILES CCc1cc(on1)C1=CCC[C@@H]2CC[C@H]1N2 |r,t:8| Show InChI InChI=1S/C13H18N2O/c1-2-9-8-13(16-15-9)11-5-3-4-10-6-7-12(11)14-10/h5,8,10,12,14H,2-4,6-7H2,1H3/t10-,12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Binding affinity to alpha1 nAchR expressed in human TE671 cells				Bioorg Med Chem Lett 21: 5423-7 (2011) Article DOI: 10.1016/j.bmcl.2011.06.127 BindingDB Entry DOI: 10.7270/Q2DR2VWP
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha (Homo sapiens (Human))	BDBM50352785 (CHEMBL1823381) Show SMILES CC(C)c1cc(on1)C1=CCC[C@@H]2CC[C@H]1N2 |r,t:9| Show InChI InChI=1S/C14H20N2O/c1-9(2)13-8-14(17-16-13)11-5-3-4-10-6-7-12(11)15-10/h5,8-10,12,15H,3-4,6-7H2,1-2H3/t10-,12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Binding affinity to alpha1 nAchR expressed in human TE671 cells				Bioorg Med Chem Lett 21: 5423-7 (2011) Article DOI: 10.1016/j.bmcl.2011.06.127 BindingDB Entry DOI: 10.7270/Q2DR2VWP
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha (Homo sapiens (Human))	BDBM50472282 (descyanothiacloprid) Show SMILES Clc1ccc(CN2CCSC2=N)cn1 Show InChI InChI=1S/C9H10ClN3S/c10-8-2-1-7(5-12-8)6-13-3-4-14-9(13)11/h1-2,5,11H,3-4,6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of [3H]alpha-BGT binding to alpha1 nicotinic acetylcholine receptor in Homo sapiens (human) TE671 cells co-expressing gammaalpha1deltabeta...				J Agric Food Chem 48: 6016-24 (2000) Article DOI: 10.1021/jf000873c BindingDB Entry DOI: 10.7270/Q27H1NGG
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha (Homo sapiens (Human))	BDBM50382048 (CHEMBL2022739) Show SMILES Fc1ccccc1C(=O)Nc1ccc(-c2nnc(NCCCCN3CCOCC3)o2)c(F)c1 Show InChI InChI=1S/C23H25F2N5O3/c24-19-6-2-1-5-17(19)21(31)27-16-7-8-18(20(25)15-16)22-28-29-23(33-22)26-9-3-4-10-30-11-13-32-14-12-30/h1-2,5-8,15H,3-4,9-14H2,(H,26,29)(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at alpha1 nAChR				Bioorg Med Chem Lett 22: 3531-4 (2012) Article DOI: 10.1016/j.bmcl.2012.03.062 BindingDB Entry DOI: 10.7270/Q2SB46SH
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha (Homo sapiens (Human))	BDBM50413332 (CHEMBL503427) Show SMILES CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccc2OCCc2c1 Show InChI InChI=1S/C21H26N2O2/c1-22-19(7-5-16-6-8-20-17(13-16)9-12-25-20)14-18(21(22)24)15-23-10-3-2-4-11-23/h6,8,13,18-19H,2-4,9-12,14-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Antagonist activity at human alpha-1-beta-1-gamma-delta nAChR expressed in human TE671 cells by calcium influx assay				Bioorg Med Chem Lett 19: 1287-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.073 BindingDB Entry DOI: 10.7270/Q2GM875B
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha (Homo sapiens (Human))	BDBM50352786 (CHEMBL1823382) Show SMILES C1C[C@H]2N[C@@H]1CCC=C2c1cc(no1)-c1ccccc1 |r,c:8| Show InChI InChI=1S/C17H18N2O/c1-2-5-12(6-3-1)16-11-17(20-19-16)14-8-4-7-13-9-10-15(14)18-13/h1-3,5-6,8,11,13,15,18H,4,7,9-10H2/t13-,15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Binding affinity to alpha1 nAchR expressed in human TE671 cells				Bioorg Med Chem Lett 21: 5423-7 (2011) Article DOI: 10.1016/j.bmcl.2011.06.127 BindingDB Entry DOI: 10.7270/Q2DR2VWP
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha (Homo sapiens (Human))	BDBM50078044 (3-(6-Chloro-pyridin-3-ylmethyl)-3H-thiazol-(2E)-yl...) Show SMILES Clc1ccc(Cn2ccsc2=N)cn1 Show InChI InChI=1S/C9H8ClN3S/c10-8-2-1-7(5-12-8)6-13-3-4-14-9(13)11/h1-5,11H,6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of [3H]alpha-BGT binding to alpha1 nicotinic acetylcholine receptor in Homo sapiens (human) TE671 cells co-expressing gammaalpha1deltabeta...				J Agric Food Chem 48: 6016-24 (2000) Article DOI: 10.1021/jf000873c BindingDB Entry DOI: 10.7270/Q27H1NGG
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha (Homo sapiens (Human))	BDBM50352788 (CHEMBL1823384) Show SMILES Cc1cc(on1)[C@@]1(O)CCC[C@@H]2CC[C@H]1N2 |r| Show InChI InChI=1S/C12H18N2O2/c1-8-7-11(16-14-8)12(15)6-2-3-9-4-5-10(12)13-9/h7,9-10,13,15H,2-6H2,1H3/t9-,10-,12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Binding affinity to alpha1 nAchR expressed in human TE671 cells				Bioorg Med Chem Lett 21: 5423-7 (2011) Article DOI: 10.1016/j.bmcl.2011.06.127 BindingDB Entry DOI: 10.7270/Q2DR2VWP
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha (Homo sapiens (Human))	BDBM50352791 (CHEMBL1823387) Show SMILES CCOC(=O)c1noc2CC[C@@H]3CC[C@@H](N3)c12 |r| Show InChI InChI=1S/C12H16N2O3/c1-2-16-12(15)11-10-8-5-3-7(13-8)4-6-9(10)17-14-11/h7-8,13H,2-6H2,1H3/t7-,8+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Binding affinity to alpha1 nAchR expressed in human TE671 cells				Bioorg Med Chem Lett 21: 5423-7 (2011) Article DOI: 10.1016/j.bmcl.2011.06.127 BindingDB Entry DOI: 10.7270/Q2DR2VWP
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha (Homo sapiens (Human))	BDBM50352790 (CHEMBL1823386) Show SMILES Cc1noc2CC[C@@H]3CC[C@@H](N3)c12 |r| Show InChI InChI=1S/C10H14N2O/c1-6-10-8-4-2-7(11-8)3-5-9(10)13-12-6/h7-8,11H,2-5H2,1H3/t7-,8+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Binding affinity to alpha1 nAchR expressed in human TE671 cells				Bioorg Med Chem Lett 21: 5423-7 (2011) Article DOI: 10.1016/j.bmcl.2011.06.127 BindingDB Entry DOI: 10.7270/Q2DR2VWP
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha (Homo sapiens (Human))	BDBM50352789 (CHEMBL1823385) Show SMILES Cc1cc(on1)[C@]1(O)CCC[C@@H]2CC[C@H]1N2 |r| Show InChI InChI=1S/C12H18N2O2/c1-8-7-11(16-14-8)12(15)6-2-3-9-4-5-10(12)13-9/h7,9-10,13,15H,2-6H2,1H3/t9-,10-,12+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Binding affinity to alpha1 nAchR expressed in human TE671 cells				Bioorg Med Chem Lett 21: 5423-7 (2011) Article DOI: 10.1016/j.bmcl.2011.06.127 BindingDB Entry DOI: 10.7270/Q2DR2VWP
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha (Homo sapiens (Human))	BDBM50352787 (CHEMBL1823383) Show SMILES CCOC(=O)c1cc(on1)C1=CCC[C@@H]2CC[C@H]1N2 |r,t:11| Show InChI InChI=1S/C14H18N2O3/c1-2-18-14(17)12-8-13(19-16-12)10-5-3-4-9-6-7-11(10)15-9/h5,8-9,11,15H,2-4,6-7H2,1H3/t9-,11-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Binding affinity to alpha1 nAchR expressed in human TE671 cells				Bioorg Med Chem Lett 21: 5423-7 (2011) Article DOI: 10.1016/j.bmcl.2011.06.127 BindingDB Entry DOI: 10.7270/Q2DR2VWP
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha (Homo sapiens (Human))	BDBM50078048 (1-(6-Chloro-pyridin-3-ylmethyl)-imidazolidin-(2Z)-...) Show SMILES NC1=NCCN1Cc1ccc(Cl)nc1 |t:1| Show InChI InChI=1S/C9H11ClN4/c10-8-2-1-7(5-13-8)6-14-4-3-12-9(14)11/h1-2,5H,3-4,6H2,(H2,11,12)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of [3H]alpha-BGT binding to alpha1 nicotinic acetylcholine receptor in Homo sapiens (human) TE671 cells co-expressing gammaalpha1deltabeta...				J Agric Food Chem 48: 6016-24 (2000) Article DOI: 10.1021/jf000873c BindingDB Entry DOI: 10.7270/Q27H1NGG
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha (Homo sapiens (Human))	BDBM50310000 (4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl...) Show SMILES Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of nAChR alpha1 (unknown origin)				ACS Med Chem Lett 9: 446-451 (2018) Article DOI: 10.1021/acsmedchemlett.8b00030 BindingDB Entry DOI: 10.7270/Q2Z89FZD
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha (Homo sapiens (Human))	BDBM50550026 (CHEMBL4786690) Show SMILES [H][C@]1(CC[C@@H](CC1)c1ccnc2ccc(F)cc12)[C@@H](C)NC(=O)c1ccc(Cl)cc1 |r,wU:4.7,18.21,wD:1.0,(55.56,-25.24,;55.58,-26.78,;54.24,-26.01,;52.9,-26.78,;52.91,-28.32,;54.25,-29.09,;55.57,-28.32,;51.57,-29.08,;50.24,-28.32,;48.91,-29.1,;48.92,-30.63,;50.25,-31.38,;50.25,-32.93,;51.58,-33.7,;52.92,-32.93,;54.25,-33.69,;52.91,-31.38,;51.58,-30.61,;56.91,-26.01,;56.91,-24.47,;58.24,-26.78,;58.24,-28.32,;56.9,-29.08,;59.58,-29.09,;59.57,-30.63,;60.9,-31.4,;62.24,-30.63,;63.57,-31.4,;62.23,-29.09,;60.9,-28.32,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of alpha1 nAChR (unknown origin)				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00668 BindingDB Entry DOI: 10.7270/Q2TM7FR5
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha (Homo sapiens (Human))	BDBM50247983 (CHEMBL454407 | cis-1-methyl-5-(phenylethynyl)-3-(p...) Show SMILES CN1[C@@H](C[C@H](CN2CCCCC2)C1=O)C#Cc1ccccc1 |r| Show InChI InChI=1S/C19H24N2O/c1-20-18(11-10-16-8-4-2-5-9-16)14-17(19(20)22)15-21-12-6-3-7-13-21/h2,4-5,8-9,17-18H,3,6-7,12-15H2,1H3/t17-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Antagonist activity at human alpha-1-beta-1-gamma-delta nAChR expressed in human TE671 cells by calcium influx assay				Bioorg Med Chem Lett 19: 1287-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.073 BindingDB Entry DOI: 10.7270/Q2GM875B
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha (Homo sapiens (Human))	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of [3H]alpha-BGT binding to alpha1 nicotinic acetylcholine receptor in Homo sapiens (human) TE671 cells co-expressing gammaalpha1deltabeta...				J Agric Food Chem 48: 6016-24 (2000) Article DOI: 10.1021/jf000873c BindingDB Entry DOI: 10.7270/Q27H1NGG
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha (Homo sapiens (Human))	BDBM50443541 (CHEMBL3091687) Show SMILES NCCCCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12 |r| Show InChI InChI=1S/C23H32N4/c24-12-3-4-14-27(22-11-5-9-18-10-6-13-25-23(18)22)17-21-15-19-7-1-2-8-20(19)16-26-21/h1-2,6-8,10,13,21-22,26H,3-5,9,11-12,14-17,24H2/t21-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of nAChR alpha1 (unknown origin)				ACS Med Chem Lett 9: 446-451 (2018) Article DOI: 10.1021/acsmedchemlett.8b00030 BindingDB Entry DOI: 10.7270/Q2Z89FZD
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Acetylcholine receptor subunit alpha (Homo sapiens (Human))	BDBM225230 (EED226 | US11013745, Compound EED226) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12 Show InChI InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research					Assay Description All HMT reactions were performed as described previously [Nasveschuk et al., ACS Med. Chem. Lett., 5:378-383].				Nat Chem Biol 13: 381-388 (2017) Article DOI: 10.1038/nchembio.2304 BindingDB Entry DOI: 10.7270/Q2S75F64
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Acetylcholine receptor subunit alpha (Homo sapiens (Human))	BDBM50310000 (4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl...) Show SMILES Cc1cc(Br)ccc1CNC(=O)c1nn(c(c1Cn1cncn1)-c1ccc(Br)cc1)-c1ccccc1Cl Show InChI InChI=1S/C27H21Br2ClN6O/c1-17-12-21(29)11-8-19(17)13-32-27(37)25-22(14-35-16-31-15-33-35)26(18-6-9-20(28)10-7-18)36(34-25)24-5-3-2-4-23(24)30/h2-12,15-16H,13-14H2,1H3,(H,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition of nAChR alpha1 (unknown origin)				ACS Med Chem Lett 9: 446-451 (2018) Article DOI: 10.1021/acsmedchemlett.8b00030 BindingDB Entry DOI: 10.7270/Q2Z89FZD
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha (Homo sapiens (Human))	BDBM50487992 (CHEMBL2270633) Show SMILES [O-][N+](=O)\C=C1\NCCCN1Cc1ccc(Cl)nc1 Show InChI InChI=1S/C11H13ClN4O2/c12-10-3-2-9(6-14-10)7-15-5-1-4-13-11(15)8-16(17)18/h2-3,6,8,13H,1,4-5,7H2/b11-8-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of [3H]alpha-BGT binding to alpha1 nicotinic acetylcholine receptor in Homo sapiens (human) TE671 cells co-expressing gammaalpha1deltabeta...				J Agric Food Chem 48: 6016-24 (2000) Article DOI: 10.1021/jf000873c BindingDB Entry DOI: 10.7270/Q27H1NGG
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha (Homo sapiens (Human))	BDBM50413331 (CHEMBL459900) Show SMILES CN1C(CC(CN2CCCCC2)C1=O)C#Cc1ccc2occc2c1 Show InChI InChI=1S/C21H24N2O2/c1-22-19(7-5-16-6-8-20-17(13-16)9-12-25-20)14-18(21(22)24)15-23-10-3-2-4-11-23/h6,8-9,12-13,18-19H,2-4,10-11,14-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Antagonist activity at human alpha-1-beta-1-gamma-delta nAChR expressed in human TE671 cells by calcium influx assay				Bioorg Med Chem Lett 19: 1287-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.073 BindingDB Entry DOI: 10.7270/Q2GM875B
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Acetylcholine receptor subunit alpha (Homo sapiens (Human))	BDBM50251868 ((Z)-thiacloprid | CHEMBL451432 | {(2Z)-3-[(6-chlor...) Show SMILES Clc1ccc(CN2CCS\C2=N/C#N)cn1 Show InChI InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2/b14-10-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of [3H]alpha-BGT binding to alpha1 nicotinic acetylcholine receptor in Homo sapiens (human) TE671 cells co-expressing gammaalpha1deltabeta...				J Agric Food Chem 48: 6016-24 (2000) Article DOI: 10.1021/jf000873c BindingDB Entry DOI: 10.7270/Q27H1NGG
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha (Homo sapiens (Human))	BDBM50248045 ((S)-1-(2-fluorophenyl)ethyl (S)-quinuclidin-3-ylca...) Show SMILES C[C@H](OC(=O)N[C@@H]1CN2CCC1CC2)c1ccccc1F |r,wD:6.5,1.0,(32.55,-17.37,;32.55,-18.91,;33.89,-19.68,;35.22,-18.9,;35.21,-17.36,;36.56,-19.67,;37.89,-18.89,;37.87,-17.35,;39.21,-16.58,;40.54,-17.35,;40.54,-18.89,;39.22,-19.66,;38.48,-18.3,;39.97,-17.9,;31.22,-19.69,;31.23,-21.24,;29.89,-22.01,;28.56,-21.24,;28.56,-19.69,;29.89,-18.92,;29.88,-17.38,)| Show InChI InChI=1S/C16H21FN2O2/c1-11(13-4-2-3-5-14(13)17)21-16(20)18-15-10-19-8-6-12(15)7-9-19/h2-5,11-12,15H,6-10H2,1H3,(H,18,20)/t11-,15+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.26E+5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Antagonist activity at human alpha-1-beta-1-gamma-delta nAChR expressed in human TE671 cells by calcium influx assay				Bioorg Med Chem Lett 19: 1287-91 (2009) Article DOI: 10.1016/j.bmcl.2009.01.073 BindingDB Entry DOI: 10.7270/Q2GM875B
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha (Homo sapiens (Human))	BDBM50212288 ((2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimida...) Show SMILES [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1 |t:4| Show InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of [3H]alpha-BGT binding to alpha1 nicotinic acetylcholine receptor in Homo sapiens (human) TE671 cells co-expressing gammaalpha1deltabeta...				J Agric Food Chem 48: 6016-24 (2000) Article DOI: 10.1021/jf000873c BindingDB Entry DOI: 10.7270/Q27H1NGG
					More data for this Ligand-Target Pair