Compile Data Set for Download or QSAR

Found 50 hits with Last Name = 'schulte' and Initial = 'mk'   

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 (Homo sapiens (Human))	BDBM50103072 (1-Benzyl-2-piperazin-1-yl-1H-benzoimidazole | CHEM...) Show SMILES C(c1ccccc1)n1c(nc2ccccc12)N1CCNCC1 Show InChI InChI=1S/C18H20N4/c1-2-6-15(7-3-1)14-22-17-9-5-4-8-16(17)20-18(22)21-12-10-19-11-13-21/h1-9,19H,10-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Louisiana at Monroe Curated by ChEMBL					Assay Description Binding affinity of the compound against human 5-hydroxytryptamine 3A receptor				Bioorg Med Chem Lett 11: 2133-6 (2001) BindingDB Entry DOI: 10.7270/Q20G3JGG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50103070 (1-(4-Methoxy-benzyl)-2-piperazin-1-yl-1H-benzoimid...) Show SMILES COc1ccc(Cn2c(nc3ccccc23)N2CCNCC2)cc1 Show InChI InChI=1S/C19H22N4O/c1-24-16-8-6-15(7-9-16)14-23-18-5-3-2-4-17(18)21-19(23)22-12-10-20-11-13-22/h2-9,20H,10-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Louisiana at Monroe Curated by ChEMBL					Assay Description Binding affinity of the compound against human 5-hydroxytryptamine 3A receptor				Bioorg Med Chem Lett 11: 2133-6 (2001) BindingDB Entry DOI: 10.7270/Q20G3JGG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50103076 (1-Naphthalen-2-ylmethyl-2-piperazin-1-yl-1H-benzoi...) Show SMILES C(c1ccc2ccccc2c1)n1c(nc2ccccc12)N1CCNCC1 Show InChI InChI=1S/C22H22N4/c1-2-6-19-15-17(9-10-18(19)5-1)16-26-21-8-4-3-7-20(21)24-22(26)25-13-11-23-12-14-25/h1-10,15,23H,11-14,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Louisiana at Monroe Curated by ChEMBL					Assay Description Binding affinity of the compound against human 5-hydroxytryptamine 3A receptor				Bioorg Med Chem Lett 11: 2133-6 (2001) BindingDB Entry DOI: 10.7270/Q20G3JGG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50103075 (1-(4-Methyl-benzyl)-2-piperazin-1-yl-1H-benzoimida...) Show SMILES Cc1ccc(Cn2c(nc3ccccc23)N2CCNCC2)cc1 Show InChI InChI=1S/C19H22N4/c1-15-6-8-16(9-7-15)14-23-18-5-3-2-4-17(18)21-19(23)22-12-10-20-11-13-22/h2-9,20H,10-14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Louisiana at Monroe Curated by ChEMBL					Assay Description Binding affinity of the compound against human 5-hydroxytryptamine 3A receptor				Bioorg Med Chem Lett 11: 2133-6 (2001) BindingDB Entry DOI: 10.7270/Q20G3JGG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50103069 (1-(4-Fluoro-benzyl)-2-piperazin-1-yl-1H-benzoimida...) Show SMILES Fc1ccc(Cn2c(nc3ccccc23)N2CCNCC2)cc1 Show InChI InChI=1S/C18H19FN4/c19-15-7-5-14(6-8-15)13-23-17-4-2-1-3-16(17)21-18(23)22-11-9-20-10-12-22/h1-8,20H,9-13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Louisiana at Monroe Curated by ChEMBL					Assay Description Binding affinity of the compound against human 5-hydroxytryptamine 3A receptor				Bioorg Med Chem Lett 11: 2133-6 (2001) BindingDB Entry DOI: 10.7270/Q20G3JGG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50103073 (1-Phenethyl-2-piperazin-1-yl-1H-benzoimidazole | C...) Show SMILES C(Cn1c(nc2ccccc12)N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C19H22N4/c1-2-6-16(7-3-1)10-13-23-18-9-5-4-8-17(18)21-19(23)22-14-11-20-12-15-22/h1-9,20H,10-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Louisiana at Monroe Curated by ChEMBL					Assay Description Binding affinity of the compound against human 5-hydroxytryptamine 3A receptor				Bioorg Med Chem Lett 11: 2133-6 (2001) BindingDB Entry DOI: 10.7270/Q20G3JGG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50103071 (1-(3-Phenyl-propyl)-2-piperazin-1-yl-1H-benzoimida...) Show SMILES C(Cc1ccccc1)Cn1c(nc2ccccc12)N1CCNCC1 Show InChI InChI=1S/C20H24N4/c1-2-7-17(8-3-1)9-6-14-24-19-11-5-4-10-18(19)22-20(24)23-15-12-21-13-16-23/h1-5,7-8,10-11,21H,6,9,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Louisiana at Monroe Curated by ChEMBL					Assay Description Binding affinity of the compound against human 5-hydroxytryptamine 3A receptor				Bioorg Med Chem Lett 11: 2133-6 (2001) BindingDB Entry DOI: 10.7270/Q20G3JGG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50103077 (2-Piperazin-1-yl-1H-benzoimidazole | CHEMBL292066) Show SMILES C1CN(CCN1)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C11H14N4/c1-2-4-10-9(3-1)13-11(14-10)15-7-5-12-6-8-15/h1-4,12H,5-8H2,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Louisiana at Monroe Curated by ChEMBL					Assay Description Binding affinity of the compound against human 5-hydroxytryptamine 3A receptor				Bioorg Med Chem Lett 11: 2133-6 (2001) BindingDB Entry DOI: 10.7270/Q20G3JGG
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50053608 (1N-amino(immino)methyl-3-chloroaniline | CHEMBL138...) Show SMILES [#7]\[#6](-[#7])=[#7]\c1cccc(Cl)c1 Show InChI InChI=1S/C7H8ClN3/c8-5-2-1-3-6(4-5)11-7(9)10/h1-4H,(H4,9,10,11)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]GR65630 from 5-HT3 receptor (unknown origin) expressed in mouse/rat NG108-15 cells after 30 mins by by liquid scintillation count...				Bioorg Med Chem Lett 23: 5945-8 (2013) Article DOI: 10.1016/j.bmcl.2013.08.072 BindingDB Entry DOI: 10.7270/Q2ZK5J31
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50441458 (CHEMBL2436555) Show SMILES NC1=NCc2cc(Cl)ccc2N1 |t:1| Show InChI InChI=1S/C8H8ClN3/c9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-3H,4H2,(H3,10,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]GR65630 from 5-HT3 receptor (unknown origin) expressed in mouse/rat NG108-15 cells after 30 mins by by liquid scintillation count...				Bioorg Med Chem Lett 23: 5945-8 (2013) Article DOI: 10.1016/j.bmcl.2013.08.072 BindingDB Entry DOI: 10.7270/Q2ZK5J31
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50441458 (CHEMBL2436555) Show SMILES NC1=NCc2cc(Cl)ccc2N1 |t:1| Show InChI InChI=1S/C8H8ClN3/c9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-3H,4H2,(H3,10,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]GR65630 from human 5-HT3 receptor expressed in African green monkey COS cells after 90 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 5945-8 (2013) Article DOI: 10.1016/j.bmcl.2013.08.072 BindingDB Entry DOI: 10.7270/Q2ZK5J31
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50115644 ((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...) Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21 Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]GR65630 from human 5-HT3A receptor expressed in HEK293 cells by liquid scintillation counting analysis				Bioorg Med Chem Lett 23: 5945-8 (2013) Article DOI: 10.1016/j.bmcl.2013.08.072 BindingDB Entry DOI: 10.7270/Q2ZK5J31
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50441458 (CHEMBL2436555) Show SMILES NC1=NCc2cc(Cl)ccc2N1 |t:1| Show InChI InChI=1S/C8H8ClN3/c9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-3H,4H2,(H3,10,11,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]Pentazocine from guinea pig sigma1 receptor after 90 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 5945-8 (2013) Article DOI: 10.1016/j.bmcl.2013.08.072 BindingDB Entry DOI: 10.7270/Q2ZK5J31
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50441458 (CHEMBL2436555) Show SMILES NC1=NCc2cc(Cl)ccc2N1 |t:1| Show InChI InChI=1S/C8H8ClN3/c9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-3H,4H2,(H3,10,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]Pyrilamine from human recombinant histamine H1 receptor expressed in HEK cells after 90 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 5945-8 (2013) Article DOI: 10.1016/j.bmcl.2013.08.072 BindingDB Entry DOI: 10.7270/Q2ZK5J31
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha/Neuronal acetylcholine receptor subunit beta-4 (Homo sapiens (Human))	BDBM50441458 (CHEMBL2436555) Show SMILES NC1=NCc2cc(Cl)ccc2N1 |t:1| Show InChI InChI=1S/C8H8ClN3/c9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-3H,4H2,(H3,10,11,12)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]-epibatidine from human alpha2beta4 nAChR transfected in HEK293 cells by scintillation counting analysis				Bioorg Med Chem Lett 23: 5945-8 (2013) Article DOI: 10.1016/j.bmcl.2013.08.072 BindingDB Entry DOI: 10.7270/Q2ZK5J31
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50441458 (CHEMBL2436555) Show SMILES NC1=NCc2cc(Cl)ccc2N1 |t:1| Show InChI InChI=1S/C8H8ClN3/c9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-3H,4H2,(H3,10,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [[3H]N-methylspiperone from human recombinant dopamine D2 receptor expressed in human fibroblasts after 90 mins by scintillation coun...				Bioorg Med Chem Lett 23: 5945-8 (2013) Article DOI: 10.1016/j.bmcl.2013.08.072 BindingDB Entry DOI: 10.7270/Q2ZK5J31
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50441458 (CHEMBL2436555) Show SMILES NC1=NCc2cc(Cl)ccc2N1 |t:1| Show InChI InChI=1S/C8H8ClN3/c9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-3H,4H2,(H3,10,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]-epibatidine from human alpha4beta2 nAChR transfected in HEK293 cells by scintillation counting analysis				Bioorg Med Chem Lett 23: 5945-8 (2013) Article DOI: 10.1016/j.bmcl.2013.08.072 BindingDB Entry DOI: 10.7270/Q2ZK5J31
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha/Neuronal acetylcholine receptor subunit beta-2 (Homo sapiens (Human))	BDBM50441458 (CHEMBL2436555) Show SMILES NC1=NCc2cc(Cl)ccc2N1 |t:1| Show InChI InChI=1S/C8H8ClN3/c9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-3H,4H2,(H3,10,11,12)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]-epibatidine from human alpha2beta2 nAChR transfected in HEK293 cells by scintillation counting analysis				Bioorg Med Chem Lett 23: 5945-8 (2013) Article DOI: 10.1016/j.bmcl.2013.08.072 BindingDB Entry DOI: 10.7270/Q2ZK5J31
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50217055 (CHEMBL1835612 | CHEMBL231592 | N-(2-[6-bromo-2(1,1...) Show SMILES CNCCc1c([nH]c2cc(Br)ccc12)C(C)(C)C=C Show InChI InChI=1S/C16H21BrN2/c1-5-16(2,3)15-13(8-9-18-4)12-7-6-11(17)10-14(12)19-15/h5-7,10,18-19H,1,8-9H2,2-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Activity at human alpha7 nACh receptor expressesed in Xenopus oocytes assessed as inhibition of acetyl chlone-induced currents by two-electrode volta...				Bioorg Med Chem Lett 17: 4855-60 (2007) Article DOI: 10.1016/j.bmcl.2007.06.047 BindingDB Entry DOI: 10.7270/Q20001TS
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50217055 (CHEMBL1835612 | CHEMBL231592 | N-(2-[6-bromo-2(1,1...) Show SMILES CNCCc1c([nH]c2cc(Br)ccc12)C(C)(C)C=C Show InChI InChI=1S/C16H21BrN2/c1-5-16(2,3)15-13(8-9-18-4)12-7-6-11(17)10-14(12)19-15/h5-7,10,18-19H,1,8-9H2,2-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Activity at human alpha4beta2 nACh receptor expressesed in Xenopus oocytes assessed as inhibition of acetyl chlone-induced currents by two-electrode ...				Bioorg Med Chem Lett 17: 4855-60 (2007) Article DOI: 10.1016/j.bmcl.2007.06.047 BindingDB Entry DOI: 10.7270/Q20001TS
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50217054 (CHEMBL230348 | desformylflustrabromine-B) Show SMILES [#6]-[#7]-[#6]-[#6]-c1cn(-[#6]\[#6]=[#6](\[#6])-[#6])c2cc(Br)ccc12 Show InChI InChI=1S/C16H21BrN2/c1-12(2)7-9-19-11-13(6-8-18-3)15-5-4-14(17)10-16(15)19/h4-5,7,10-11,18H,6,8-9H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.09E+5	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Activity at human alpha7 nACh receptor expressesed in Xenopus oocytes assessed as inhibition of acetyl chlone-induced currents by two-electrode volta...				Bioorg Med Chem Lett 17: 4855-60 (2007) Article DOI: 10.1016/j.bmcl.2007.06.047 BindingDB Entry DOI: 10.7270/Q20001TS
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50419278 (CHEMBL1835616) Show SMILES CNCCc1c(CC=C)[nH]c2cc(Br)ccc12 Show InChI InChI=1S/C14H17BrN2/c1-3-4-13-12(7-8-16-2)11-6-5-10(15)9-14(11)17-13/h3,5-6,9,16-17H,1,4,7-8H2,2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.95E+4	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Antagonist activity at human alpha7 nAChR expressed in xenopus oocyte assessed as inhibition of acetylcholine-induced current by two-electrode voltag...				J Med Chem 54: 7259-67 (2011) Article DOI: 10.1021/jm200834x BindingDB Entry DOI: 10.7270/Q2SN0B7K
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50419270 (CHEMBL1835618) Show SMILES CNCCc1c([nH]c2ccccc12)C(C)(C)C=C Show InChI InChI=1S/C16H22N2/c1-5-16(2,3)15-13(10-11-17-4)12-8-6-7-9-14(12)18-15/h5-9,17-18H,1,10-11H2,2-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.76E+3	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Antagonist activity at human alpha7 nAChR expressed in xenopus oocyte assessed as inhibition of acetylcholine-induced current by two-electrode voltag...				J Med Chem 54: 7259-67 (2011) Article DOI: 10.1021/jm200834x BindingDB Entry DOI: 10.7270/Q2SN0B7K
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50419271 (CHEMBL1835619) Show SMILES CCC(C)(C)c1[nH]c2ccccc2c1CCNC Show InChI InChI=1S/C16H24N2/c1-5-16(2,3)15-13(10-11-17-4)12-8-6-7-9-14(12)18-15/h6-9,17-18H,5,10-11H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.04E+4	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Antagonist activity at human alpha7 nAChR expressed in xenopus oocyte assessed as inhibition of acetylcholine-induced current by two-electrode voltag...				J Med Chem 54: 7259-67 (2011) Article DOI: 10.1021/jm200834x BindingDB Entry DOI: 10.7270/Q2SN0B7K
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50419277 (CHEMBL1835687) Show SMILES CCCc1[nH]c2ccccc2c1CCNC Show InChI InChI=1S/C14H20N2/c1-3-6-13-12(9-10-15-2)11-7-4-5-8-14(11)16-13/h4-5,7-8,15-16H,3,6,9-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.47E+4	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Antagonist activity at human alpha7 nAChR expressed in xenopus oocyte assessed as inhibition of acetylcholine-induced current by two-electrode voltag...				J Med Chem 54: 7259-67 (2011) Article DOI: 10.1021/jm200834x BindingDB Entry DOI: 10.7270/Q2SN0B7K
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50419273 (CHEMBL1835688) Show SMILES CNCCc1c([nH]c2ccccc12)C(C)(C)C Show InChI InChI=1S/C15H22N2/c1-15(2,3)14-12(9-10-16-4)11-7-5-6-8-13(11)17-14/h5-8,16-17H,9-10H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.79E+3	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Antagonist activity at human alpha7 nAChR expressed in xenopus oocyte assessed as inhibition of acetylcholine-induced current by two-electrode voltag...				J Med Chem 54: 7259-67 (2011) Article DOI: 10.1021/jm200834x BindingDB Entry DOI: 10.7270/Q2SN0B7K
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50419269 (CHEMBL1835617) Show SMILES CCC(C)(C)c1[nH]c2cc(Br)ccc2c1CCNC Show InChI InChI=1S/C16H23BrN2/c1-5-16(2,3)15-13(8-9-18-4)12-7-6-11(17)10-14(12)19-15/h6-7,10,18-19H,5,8-9H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.57E+4	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Antagonist activity at human alpha7 nAChR expressed in xenopus oocyte assessed as inhibition of acetylcholine-induced current by two-electrode voltag...				J Med Chem 54: 7259-67 (2011) Article DOI: 10.1021/jm200834x BindingDB Entry DOI: 10.7270/Q2SN0B7K
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50419276 (CHEMBL1835686) Show SMILES CCC(C)c1[nH]c2ccccc2c1CCNC Show InChI InChI=1S/C15H22N2/c1-4-11(2)15-13(9-10-16-3)12-7-5-6-8-14(12)17-15/h5-8,11,16-17H,4,9-10H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.77E+3	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Antagonist activity at human alpha7 nAChR expressed in xenopus oocyte assessed as inhibition of acetylcholine-induced current by two-electrode voltag...				J Med Chem 54: 7259-67 (2011) Article DOI: 10.1021/jm200834x BindingDB Entry DOI: 10.7270/Q2SN0B7K
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50419275 (CHEMBL1835615) Show SMILES CCCc1[nH]c2cc(Br)ccc2c1CCNC Show InChI InChI=1S/C14H19BrN2/c1-3-4-13-12(7-8-16-2)11-6-5-10(15)9-14(11)17-13/h5-6,9,16-17H,3-4,7-8H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.09E+4	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Antagonist activity at human alpha7 nAChR expressed in xenopus oocyte assessed as inhibition of acetylcholine-induced current by two-electrode voltag...				J Med Chem 54: 7259-67 (2011) Article DOI: 10.1021/jm200834x BindingDB Entry DOI: 10.7270/Q2SN0B7K
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50419274 (CHEMBL1835614) Show SMILES CNCCc1c[nH]c2cc(Br)ccc12 Show InChI InChI=1S/C11H13BrN2/c1-13-5-4-8-7-14-11-6-9(12)2-3-10(8)11/h2-3,6-7,13-14H,4-5H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Antagonist activity at human alpha7 nAChR expressed in xenopus oocyte assessed as inhibition of acetylcholine-induced current by two-electrode voltag...				J Med Chem 54: 7259-67 (2011) Article DOI: 10.1021/jm200834x BindingDB Entry DOI: 10.7270/Q2SN0B7K
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50419272 (CHEMBL1835613) Show SMILES CC(C)(C=C)c1[nH]c2cc(Br)ccc2c1CCN Show InChI InChI=1S/C15H19BrN2/c1-4-15(2,3)14-12(7-8-17)11-6-5-10(16)9-13(11)18-14/h4-6,9,18H,1,7-8,17H2,2-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.75E+3	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Antagonist activity at human alpha7 nAChR expressed in xenopus oocyte assessed as inhibition of acetylcholine-induced current by two-electrode voltag...				J Med Chem 54: 7259-67 (2011) Article DOI: 10.1021/jm200834x BindingDB Entry DOI: 10.7270/Q2SN0B7K
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50217055 (CHEMBL1835612 | CHEMBL231592 | N-(2-[6-bromo-2(1,1...) Show SMILES CNCCc1c([nH]c2cc(Br)ccc12)C(C)(C)C=C Show InChI InChI=1S/C16H21BrN2/c1-5-16(2,3)15-13(8-9-18-4)12-7-6-11(17)10-14(12)19-15/h5-7,10,18-19H,1,8-9H2,2-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.86E+3	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Antagonist activity at human alpha7 nAChR expressed in xenopus oocyte assessed as inhibition of acetylcholine-induced current by two-electrode voltag...				J Med Chem 54: 7259-67 (2011) Article DOI: 10.1021/jm200834x BindingDB Entry DOI: 10.7270/Q2SN0B7K
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419277 (CHEMBL1835687) Show SMILES CCCc1[nH]c2ccccc2c1CCNC Show InChI InChI=1S/C14H20N2/c1-3-6-13-12(9-10-15-2)11-7-4-5-8-14(11)16-13/h4-5,7-8,15-16H,3,6,9-10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.86E+4	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Antagonist activity at human alpha4beta2 nACHR expressed in xenopus oocyte assessed as inhibition of acetylcholine-induced current by two electrode v...				J Med Chem 54: 7259-67 (2011) Article DOI: 10.1021/jm200834x BindingDB Entry DOI: 10.7270/Q2SN0B7K
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419276 (CHEMBL1835686) Show SMILES CCC(C)c1[nH]c2ccccc2c1CCNC Show InChI InChI=1S/C15H22N2/c1-4-11(2)15-13(9-10-16-3)12-7-5-6-8-14(12)17-15/h5-8,11,16-17H,4,9-10H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.66E+4	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Antagonist activity at human alpha4beta2 nACHR expressed in xenopus oocyte assessed as inhibition of acetylcholine-induced current by two electrode v...				J Med Chem 54: 7259-67 (2011) Article DOI: 10.1021/jm200834x BindingDB Entry DOI: 10.7270/Q2SN0B7K
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419275 (CHEMBL1835615) Show SMILES CCCc1[nH]c2cc(Br)ccc2c1CCNC Show InChI InChI=1S/C14H19BrN2/c1-3-4-13-12(7-8-16-2)11-6-5-10(15)9-14(11)17-13/h5-6,9,16-17H,3-4,7-8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.24E+4	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Antagonist activity at human alpha4beta2 nACHR expressed in xenopus oocyte assessed as inhibition of acetylcholine-induced current by two electrode v...				J Med Chem 54: 7259-67 (2011) Article DOI: 10.1021/jm200834x BindingDB Entry DOI: 10.7270/Q2SN0B7K
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419274 (CHEMBL1835614) Show SMILES CNCCc1c[nH]c2cc(Br)ccc12 Show InChI InChI=1S/C11H13BrN2/c1-13-5-4-8-7-14-11-6-9(12)2-3-10(8)11/h2-3,6-7,13-14H,4-5H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.98E+4	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Antagonist activity at human alpha4beta2 nACHR expressed in xenopus oocyte assessed as inhibition of acetylcholine-induced current by two electrode v...				J Med Chem 54: 7259-67 (2011) Article DOI: 10.1021/jm200834x BindingDB Entry DOI: 10.7270/Q2SN0B7K
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419273 (CHEMBL1835688) Show SMILES CNCCc1c([nH]c2ccccc12)C(C)(C)C Show InChI InChI=1S/C15H22N2/c1-15(2,3)14-12(9-10-16-4)11-7-5-6-8-13(11)17-14/h5-8,16-17H,9-10H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Agonist activity at human alpha4beta2 nACHR expressed in xenopus oocyte assessed as potentiation of acetylcholine-induced current by two electrode vo...				J Med Chem 54: 7259-67 (2011) Article DOI: 10.1021/jm200834x BindingDB Entry DOI: 10.7270/Q2SN0B7K
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419271 (CHEMBL1835619) Show SMILES CCC(C)(C)c1[nH]c2ccccc2c1CCNC Show InChI InChI=1S/C16H24N2/c1-5-16(2,3)15-13(10-11-17-4)12-8-6-7-9-14(12)18-15/h6-9,17-18H,5,10-11H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Agonist activity at human alpha4beta2 nACHR expressed in xenopus oocyte assessed as potentiation of acetylcholine-induced current by two electrode vo...				J Med Chem 54: 7259-67 (2011) Article DOI: 10.1021/jm200834x BindingDB Entry DOI: 10.7270/Q2SN0B7K
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419270 (CHEMBL1835618) Show SMILES CNCCc1c([nH]c2ccccc12)C(C)(C)C=C Show InChI InChI=1S/C16H22N2/c1-5-16(2,3)15-13(10-11-17-4)12-8-6-7-9-14(12)18-15/h5-9,17-18H,1,10-11H2,2-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.24E+3	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Agonist activity at human alpha4beta2 nACHR expressed in xenopus oocyte assessed as potentiation of acetylcholine-induced current by two electrode vo...				J Med Chem 54: 7259-67 (2011) Article DOI: 10.1021/jm200834x BindingDB Entry DOI: 10.7270/Q2SN0B7K
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419269 (CHEMBL1835617) Show SMILES CCC(C)(C)c1[nH]c2cc(Br)ccc2c1CCNC Show InChI InChI=1S/C16H23BrN2/c1-5-16(2,3)15-13(8-9-18-4)12-7-6-11(17)10-14(12)19-15/h6-7,10,18-19H,5,8-9H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Agonist activity at human alpha4beta2 nACHR expressed in xenopus oocyte assessed as potentiation of acetylcholine-induced current by two electrode vo...				J Med Chem 54: 7259-67 (2011) Article DOI: 10.1021/jm200834x BindingDB Entry DOI: 10.7270/Q2SN0B7K
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419272 (CHEMBL1835613) Show SMILES CC(C)(C=C)c1[nH]c2cc(Br)ccc2c1CCN Show InChI InChI=1S/C15H19BrN2/c1-4-15(2,3)14-12(7-8-17)11-6-5-10(16)9-13(11)18-14/h4-6,9,18H,1,7-8,17H2,2-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	513	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Agonist activity at human alpha4beta2 nACHR expressed in xenopus oocyte assessed as potentiation of acetylcholine-induced current by two electrode vo...				J Med Chem 54: 7259-67 (2011) Article DOI: 10.1021/jm200834x BindingDB Entry DOI: 10.7270/Q2SN0B7K
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50217055 (CHEMBL1835612 | CHEMBL231592 | N-(2-[6-bromo-2(1,1...) Show SMILES CNCCc1c([nH]c2cc(Br)ccc12)C(C)(C)C=C Show InChI InChI=1S/C16H21BrN2/c1-5-16(2,3)15-13(8-9-18-4)12-7-6-11(17)10-14(12)19-15/h5-7,10,18-19H,1,8-9H2,2-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	331	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Agonist activity at human alpha4beta2 nACHR expressed in xenopus oocyte assessed as potentiation of acetylcholine-induced current by two electrode vo...				J Med Chem 54: 7259-67 (2011) Article DOI: 10.1021/jm200834x BindingDB Entry DOI: 10.7270/Q2SN0B7K
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419271 (CHEMBL1835619) Show SMILES CCC(C)(C)c1[nH]c2ccccc2c1CCNC Show InChI InChI=1S/C16H24N2/c1-5-16(2,3)15-13(10-11-17-4)12-8-6-7-9-14(12)18-15/h6-9,17-18H,5,10-11H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Agonist activity at human alpha4beta2 nACHR expressed in xenopus oocyte assessed as potentiation of acetylcholine-induced current by two electrode vo...				J Med Chem 54: 7259-67 (2011) Article DOI: 10.1021/jm200834x BindingDB Entry DOI: 10.7270/Q2SN0B7K
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419270 (CHEMBL1835618) Show SMILES CNCCc1c([nH]c2ccccc12)C(C)(C)C=C Show InChI InChI=1S/C16H22N2/c1-5-16(2,3)15-13(10-11-17-4)12-8-6-7-9-14(12)18-15/h5-9,17-18H,1,10-11H2,2-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.77E+3	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Agonist activity at human alpha4beta2 nACHR expressed in xenopus oocyte assessed as potentiation of acetylcholine-induced current by two electrode vo...				J Med Chem 54: 7259-67 (2011) Article DOI: 10.1021/jm200834x BindingDB Entry DOI: 10.7270/Q2SN0B7K
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419269 (CHEMBL1835617) Show SMILES CCC(C)(C)c1[nH]c2cc(Br)ccc2c1CCNC Show InChI InChI=1S/C16H23BrN2/c1-5-16(2,3)15-13(8-9-18-4)12-7-6-11(17)10-14(12)19-15/h6-7,10,18-19H,5,8-9H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Agonist activity at human alpha4beta2 nACHR expressed in xenopus oocyte assessed as potentiation of acetylcholine-induced current by two electrode vo...				J Med Chem 54: 7259-67 (2011) Article DOI: 10.1021/jm200834x BindingDB Entry DOI: 10.7270/Q2SN0B7K
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50419278 (CHEMBL1835616) Show SMILES CNCCc1c(CC=C)[nH]c2cc(Br)ccc12 Show InChI InChI=1S/C14H17BrN2/c1-3-4-13-12(7-8-16-2)11-6-5-10(15)9-14(11)17-13/h3,5-6,9,16-17H,1,4,7-8H2,2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.55E+3	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Antagonist activity at human alpha4beta2 nACHR expressed in xenopus oocyte assessed as inhibition of acetylcholine-induced current by two electrode v...				J Med Chem 54: 7259-67 (2011) Article DOI: 10.1021/jm200834x BindingDB Entry DOI: 10.7270/Q2SN0B7K
					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)
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50103074 (1-Allyl-2-piperazin-1-yl-1H-benzoimidazole | CHEMB...) Show SMILES C=CCn1c(nc2ccccc12)N1CCNCC1 Show InChI InChI=1S/C14H18N4/c1-2-9-18-13-6-4-3-5-12(13)16-14(18)17-10-7-15-8-11-17/h2-6,15H,1,7-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a
The University of Louisiana at Monroe Curated by ChEMBL					Assay Description Binding affinity of the compound against human 5-hydroxytryptamine 3A receptor				Bioorg Med Chem Lett 11: 2133-6 (2001) BindingDB Entry DOI: 10.7270/Q20G3JGG
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50217055 (CHEMBL1835612 | CHEMBL231592 | N-(2-[6-bromo-2(1,1...) Show SMILES CNCCc1c([nH]c2cc(Br)ccc12)C(C)(C)C=C Show InChI InChI=1S/C16H21BrN2/c1-5-16(2,3)15-13(8-9-18-4)12-7-6-11(17)10-14(12)19-15/h5-7,10,18-19H,1,8-9H2,2-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Agonist activity at human alpha4beta2 nACHR expressed in xenopus oocyte assessed as potentiation of acetylcholine-induced current by two electrode vo...				J Med Chem 54: 7259-67 (2011) Article DOI: 10.1021/jm200834x BindingDB Entry DOI: 10.7270/Q2SN0B7K
					More data for this Ligand-Target Pair