Compile Data Set for Download or QSAR

Found 7391 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor'   

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 (Rattus norvegicus (Rat))	BDBM125050 (US8772511, 11 | US9714242, 11) Show SMILES Fc1cccc(F)c1NC(=O)Nc1ccc2cc(sc2c1)C(=O)N[C@H]1CN2CCC1CC2 Show InChI InChI=1S/C23H22F2N4O2S/c24-16-2-1-3-17(25)21(16)28-23(31)26-15-5-4-14-10-20(32-19(14)11-15)22(30)27-18-12-29-8-6-13(18)7-9-29/h1-5,10-11,13,18H,6-9,12H2,(H,27,30)(H2,26,28,31)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars		0.400	-49.9	n/a	n/a	n/a	n/a	n/a	7.4	4
Bayer Intellectual Property GmbH US Patent					Assay Description Rat brain tissue (hippocampus or whole brain) is homogenized in aqueous homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethy...				US Patent US8772511 (2014) BindingDB Entry DOI: 10.7270/Q2GQ6WF2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM125053 (US8772511, 22) Show SMILES COc1ccc(NC(=O)Nc2ccc3cc(oc3c2)C(=O)N[C@H]2CN3CCC2CC3)cc1 Show InChI InChI=1S/C24H26N4O4/c1-31-19-6-4-17(5-7-19)25-24(30)26-18-3-2-16-12-22(32-21(16)13-18)23(29)27-20-14-28-10-8-15(20)9-11-28/h2-7,12-13,15,20H,8-11,14H2,1H3,(H,27,29)(H2,25,26,30)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars		<1	<-47.8	n/a	n/a	n/a	n/a	n/a	7.4	4
Bayer Intellectual Property GmbH US Patent					Assay Description Rat brain tissue (hippocampus or whole brain) is homogenized in aqueous homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethy...				US Patent US8772511 (2014) BindingDB Entry DOI: 10.7270/Q2GQ6WF2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM119804 (US8691840, 7) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)[C@H]2CN3CCC2CC3)cc1 Show InChI InChI=1S/C20H23N3O3S/c21-27(25,26)18-7-3-15(4-8-18)14-1-5-17(6-2-14)22-20(24)19-13-23-11-9-16(19)10-12-23/h1-8,16,19H,9-13H2,(H,22,24)(H2,21,25,26)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		<1	<-47.1	n/a	n/a	n/a	n/a	n/a	7.4	0
Bayer Intellectual Property GmbH US Patent					Assay Description The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. (Neuropharmacol. 1999, 38, 679-690). The P2 pell...				US Patent US8691840 (2014) BindingDB Entry DOI: 10.7270/Q2M32TFR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM119803 (US8691840, 5) Show SMILES O=C(Nc1ccc(cc1)-c1ccc(NS(=O)(=O)c2ccccc2)cc1)[C@H]1CN2CCC1CC2 Show InChI InChI=1S/C26H27N3O3S/c30-26(25-18-29-16-14-21(25)15-17-29)27-22-10-6-19(7-11-22)20-8-12-23(13-9-20)28-33(31,32)24-4-2-1-3-5-24/h1-13,21,25,28H,14-18H2,(H,27,30)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars		<1	<-47.1	n/a	n/a	n/a	n/a	n/a	7.4	0
Bayer Intellectual Property GmbH US Patent					Assay Description The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. (Neuropharmacol. 1999, 38, 679-690). The P2 pell...				US Patent US8691840 (2014) BindingDB Entry DOI: 10.7270/Q2M32TFR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM119802 (US8691840, 2) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccc(NC(=O)[C@H]2CN3CCC2CC3)cc1 Show InChI InChI=1S/C21H25N3O3S/c1-28(26,27)23-19-8-4-16(5-9-19)15-2-6-18(7-3-15)22-21(25)20-14-24-12-10-17(20)11-13-24/h2-9,17,20,23H,10-14H2,1H3,(H,22,25)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars		2	-45.5	n/a	n/a	n/a	n/a	n/a	7.4	0
Bayer Intellectual Property GmbH US Patent					Assay Description The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. (Neuropharmacol. 1999, 38, 679-690). The P2 pell...				US Patent US8691840 (2014) BindingDB Entry DOI: 10.7270/Q2M32TFR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM125047 (US8772511, 4 | US9714242, 22) Show SMILES COc1ccc(NC(=O)Nc2ccc3cc(sc3c2)C(=O)N[C@H]2CN3CCC2CC3)cc1 Show InChI InChI=1S/C24H26N4O3S/c1-31-19-6-4-17(5-7-19)25-24(30)26-18-3-2-16-12-22(32-21(16)13-18)23(29)27-20-14-28-10-8-15(20)9-11-28/h2-7,12-13,15,20H,8-11,14H2,1H3,(H,27,29)(H2,25,26,30)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars		2.10	-46.0	n/a	n/a	n/a	n/a	n/a	7.4	4
Bayer Intellectual Property GmbH US Patent					Assay Description Rat brain tissue (hippocampus or whole brain) is homogenized in aqueous homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethy...				US Patent US8772511 (2014) BindingDB Entry DOI: 10.7270/Q2GQ6WF2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM125052 (US8772511, 21 | US9714242, 21) Show SMILES O=C(Nc1ccccc1)Nc1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 Show InChI InChI=1S/C23H24N4O2S/c28-22(25-19-14-27-11-9-15(19)10-12-27)20-13-16-5-4-8-18(21(16)30-20)26-23(29)24-17-6-2-1-3-7-17/h1-8,13,15,19H,9-12,14H2,(H,25,28)(H2,24,26,29)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars		4.30	-44.4	n/a	n/a	n/a	n/a	n/a	7.4	4
Bayer Intellectual Property GmbH US Patent					Assay Description Rat brain tissue (hippocampus or whole brain) is homogenized in aqueous homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethy...				US Patent US8772511 (2014) BindingDB Entry DOI: 10.7270/Q2GQ6WF2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM125049 (US8772511, 6 | US9714242, 6) Show SMILES O=C(Nc1cccc(c1)C#N)Nc1ccc2cc(sc2c1)C(=O)N[C@H]1CN2CCC1CC2 Show InChI InChI=1S/C24H23N5O2S/c25-13-15-2-1-3-18(10-15)26-24(31)27-19-5-4-17-11-22(32-21(17)12-19)23(30)28-20-14-29-8-6-16(20)7-9-29/h1-5,10-12,16,20H,6-9,14H2,(H,28,30)(H2,26,27,31)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars		7.90	-43.0	n/a	n/a	n/a	n/a	n/a	7.4	4
Bayer Intellectual Property GmbH US Patent					Assay Description Rat brain tissue (hippocampus or whole brain) is homogenized in aqueous homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethy...				US Patent US8772511 (2014) BindingDB Entry DOI: 10.7270/Q2GQ6WF2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM125051 (US8772511, 16 | US9714242, 16) Show SMILES COc1cccc(NC(=O)Nc2ccc3cc(sc3c2)C(=O)N[C@H]2CN3CCC2CC3)c1 Show InChI InChI=1S/C24H26N4O3S/c1-31-19-4-2-3-17(12-19)25-24(30)26-18-6-5-16-11-22(32-21(16)13-18)23(29)27-20-14-28-9-7-15(20)8-10-28/h2-6,11-13,15,20H,7-10,14H2,1H3,(H,27,29)(H2,25,26,30)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars		15	-41.5	n/a	n/a	n/a	n/a	n/a	7.4	4
Bayer Intellectual Property GmbH US Patent					Assay Description Rat brain tissue (hippocampus or whole brain) is homogenized in aqueous homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethy...				US Patent US8772511 (2014) BindingDB Entry DOI: 10.7270/Q2GQ6WF2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM119805 (US8691840, 11) Show SMILES O=C(NC1CCCC1)Nc1ccc(cc1)-c1ccc(NC(=O)[C@H]2CN3CCC2CC3)cc1 Show InChI InChI=1S/C26H32N4O2/c31-25(24-17-30-15-13-20(24)14-16-30)27-22-9-5-18(6-10-22)19-7-11-23(12-8-19)29-26(32)28-21-3-1-2-4-21/h5-12,20-21,24H,1-4,13-17H2,(H,27,31)(H2,28,29,32)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		16	-40.8	n/a	n/a	n/a	n/a	n/a	7.4	0
Bayer Intellectual Property GmbH US Patent					Assay Description The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. (Neuropharmacol. 1999, 38, 679-690). The P2 pell...				US Patent US8691840 (2014) BindingDB Entry DOI: 10.7270/Q2M32TFR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM125048 (US8772511, 5 | US9714242, 5) Show SMILES O=C(NCCc1ccccc1)Nc1ccc2cc(sc2c1)C(=O)N[C@H]1CN2CCC1CC2 Show InChI InChI=1S/C25H28N4O2S/c30-24(28-21-16-29-12-9-18(21)10-13-29)23-14-19-6-7-20(15-22(19)32-23)27-25(31)26-11-8-17-4-2-1-3-5-17/h1-7,14-15,18,21H,8-13,16H2,(H,28,30)(H2,26,27,31)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars		22	-40.6	n/a	n/a	n/a	n/a	n/a	7.4	4
Bayer Intellectual Property GmbH US Patent					Assay Description Rat brain tissue (hippocampus or whole brain) is homogenized in aqueous homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethy...				US Patent US8772511 (2014) BindingDB Entry DOI: 10.7270/Q2GQ6WF2
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor (Rattus norvegicus (Rat))	BDBM119806 (US8691840, 15) Show SMILES Fc1cccc(c1)C(=O)Nc1ccc(cc1)-c1ccc(NC(=O)[C@H]2CN3CCC2CC3)cc1 Show InChI InChI=1S/C27H26FN3O2/c28-22-3-1-2-21(16-22)26(32)29-23-8-4-18(5-9-23)19-6-10-24(11-7-19)30-27(33)25-17-31-14-12-20(25)13-15-31/h1-11,16,20,25H,12-15,17H2,(H,29,32)(H,30,33)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		27	-39.6	n/a	n/a	n/a	n/a	n/a	7.4	0
Bayer Intellectual Property GmbH US Patent					Assay Description The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. (Neuropharmacol. 1999, 38, 679-690). The P2 pell...				US Patent US8691840 (2014) BindingDB Entry DOI: 10.7270/Q2M32TFR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91615 (15q | alpha7 agonists 15q) Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CSc2nc3ccccc3s2)nn1 Show InChI InChI=1S/C19H24N5S2/c1-24(2)15-7-8-16(24)10-14(9-15)23-11-13(21-22-23)12-25-19-20-17-5-3-4-6-18(17)26-19/h3-6,11,14-16H,7-10,12H2,1-2H3/q+1/t14-,15-,16+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	3.00E+3	-32.8	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91602 (alpha7 agonists 4) Show SMILES Cn1c2ccccc2c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)cc1=O Show InChI InChI=1S/C22H28N5O2/c1-25-20-7-5-4-6-19(20)21(12-22(25)28)29-14-15-13-26(24-23-15)16-10-17-8-9-18(11-16)27(17,2)3/h4-7,12-13,16-18H,8-11,14H2,1-3H3/q+1/t16-,17-,18+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article	4.00E+3	-32.0	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91618 (18q | alpha7 agonists 18q) Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccccc2C2CCCC2)nn1 Show InChI InChI=1S/C23H33N4O/c1-27(2)20-11-12-21(27)14-19(13-20)26-15-18(24-25-26)16-28-23-10-6-5-9-22(23)17-7-3-4-8-17/h5-6,9-10,15,17,19-21H,3-4,7-8,11-14,16H2,1-2H3/q+1/t19-,20-,21+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	4.00E+3	-32.0	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91617 (17q | alpha7 agonists 17q) Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H21F6N4/c1-29(2)15-3-4-16(29)9-14(8-15)28-10-17(26-27-28)11-5-12(18(20,21)22)7-13(6-11)19(23,24)25/h5-7,10,14-16H,3-4,8-9H2,1-2H3/q+1/t14-,15-,16+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	5.00E+3	-31.5	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91628 (13t | alpha7 agonists 13t) Show SMILES COc1ccc(C=O)c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)N3C)c1 Show InChI InChI=1S/C19H24N4O3/c1-22-15-4-5-16(22)8-17(7-15)23-10-14(20-21-23)12-26-19-9-18(25-2)6-3-13(19)11-24/h3,6,9-11,15-17H,4-5,7-8,12H2,1-2H3/t15-,16+,17-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	5.00E+3	-31.5	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91608 (alpha7 agonists 8) Show SMILES COc1cc(C=O)ccc1OCc1cn(nn1)[C@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C Show InChI InChI=1S/C20H27N4O3/c1-24(2)17-5-6-18(24)10-16(9-17)23-11-15(21-22-23)13-27-19-7-4-14(12-25)8-20(19)26-3/h4,7-8,11-12,16-18H,5-6,9-10,13H2,1-3H3/q+1/t16-,17-,18+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	6.00E+3	-31.0	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91613 (13q | alpha7 agonists 13q) Show SMILES COc1ccc(C=O)c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c1 Show InChI InChI=1S/C20H27N4O3/c1-24(2)17-5-6-18(24)9-16(8-17)23-11-15(21-22-23)13-27-20-10-19(26-3)7-4-14(20)12-25/h4,7,10-12,16-18H,5-6,8-9,13H2,1-3H3/q+1/t16-,17-,18+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	7.00E+3	-30.6	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91600 (alpha7 agonists 3) Show SMILES Cn1c2ccccc2c(OCc2cn(CC[N+]34CCC(CC3)CC4)nn2)cc1=O Show InChI InChI=1S/C22H28N5O2/c1-25-20-5-3-2-4-19(20)21(14-22(25)28)29-16-18-15-26(24-23-18)9-13-27-10-6-17(7-11-27)8-12-27/h2-5,14-15,17H,6-13,16H2,1H3/q+1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	8.00E+3	-30.3	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91637 (22t | alpha7 agonists 22t) Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccc3ccccc3c2C(C)=O)nn1 Show InChI InChI=1S/C23H26N4O2/c1-15(28)23-21-6-4-3-5-16(21)7-10-22(23)29-14-17-13-27(25-24-17)20-11-18-8-9-19(12-20)26(18)2/h3-7,10,13,18-20H,8-9,11-12,14H2,1-2H3/t18-,19+,20-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	1.20E+4	-29.2	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91633 (18t | alpha7 agonists 18t) Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccccc2C2CCCC2)nn1 Show InChI InChI=1S/C22H30N4O/c1-25-18-10-11-19(25)13-20(12-18)26-14-17(23-24-26)15-27-22-9-5-4-8-21(22)16-6-2-3-7-16/h4-5,8-9,14,16,18-20H,2-3,6-7,10-13,15H2,1H3/t18-,19+,20-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	1.20E+4	-29.2	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91598 (alpha7 agonists 2) Show SMILES Cn1c2ccccc2c(OCc2cn(CC[N+]3(C)CCCCC3)nn2)cc1=O Show InChI InChI=1S/C21H28N5O2/c1-24-19-9-5-4-8-18(19)20(14-21(24)27)28-16-17-15-25(23-22-17)10-13-26(2)11-6-3-7-12-26/h4-5,8-9,14-15H,3,6-7,10-13,16H2,1-2H3/q+1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	1.20E+4	-29.2	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91606 (alpha7 agonists 6) Show SMILES C[N+](C)(C)CCn1cc(COc2cc([O])nc3ccccc23)nn1 Show InChI InChI=1S/C17H21N5O2/c1-22(2,3)9-8-21-11-13(19-20-21)12-24-16-10-17(23)18-15-7-5-4-6-14(15)16/h4-7,10-11H,8-9,12H2,1-3H3/q+1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	1.40E+4	-28.8	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91609 (alpha7 agonists 9) Show SMILES Cc1cc(ccc1OCc1cn(nn1)[C@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)[N+]([O-])=O Show InChI InChI=1S/C19H26N5O3/c1-13-8-15(23(25)26)4-7-19(13)27-12-14-11-22(21-20-14)16-9-17-5-6-18(10-16)24(17,2)3/h4,7-8,11,16-18H,5-6,9-10,12H2,1-3H3/q+1/t16-,17-,18+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	1.40E+4	-28.8	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91624 (alpha7 agonists 4t) Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2cc(=O)n(C)c3ccccc23)nn1 Show InChI InChI=1S/C21H25N5O2/c1-24-15-7-8-16(24)10-17(9-15)26-12-14(22-23-26)13-28-20-11-21(27)25(2)19-6-4-3-5-18(19)20/h3-6,11-12,15-17H,7-10,13H2,1-2H3/t15-,16+,17-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	1.40E+4	-28.8	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91620 (20q | alpha7 agonists 20q) Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C1(O)c2ccccc2-c2ccccc12 Show InChI InChI=1S/C24H27N4O/c1-28(2)17-11-12-18(28)14-16(13-17)27-15-23(25-26-27)24(29)21-9-5-3-7-19(21)20-8-4-6-10-22(20)24/h3-10,15-18,29H,11-14H2,1-2H3/q+1/t16-,17-,18+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	1.50E+4	-28.6	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91604 (alpha7 agonists 5) Show SMILES Cn1c2ccccc2c(OCc2cn(CCC[N+]3(C)CCCC3)nn2)cc1=O Show InChI InChI=1S/C21H28N5O2/c1-24-19-9-4-3-8-18(19)20(14-21(24)27)28-16-17-15-25(23-22-17)10-7-13-26(2)11-5-6-12-26/h3-4,8-9,14-15H,5-7,10-13,16H2,1-2H3/q+1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	1.80E+4	-28.2	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91625 (10t | alpha7 agonists 10t) Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(C)=O)nn1 Show InChI InChI=1S/C13H21N5O/c1-9(19)14-7-10-8-18(16-15-10)13-5-11-3-4-12(6-13)17(11)2/h8,11-13H,3-7H2,1-2H3,(H,14,19)/t11-,12+,13-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	1.80E+4	-28.2	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91627 (12t | alpha7 agonists 12t) Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)c2ccco2)nn1 Show InChI InChI=1S/C16H21N5O2/c1-20-12-4-5-13(20)8-14(7-12)21-10-11(18-19-21)9-17-16(22)15-3-2-6-23-15/h2-3,6,10,12-14H,4-5,7-9H2,1H3,(H,17,22)/t12-,13+,14-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	2.00E+4	-27.9	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91596 (alpha7 agonists 1) Show SMILES Cn1c2ccccc2c(OCc2cn(CC[N+]3CCCC3)nn2)cc1=O Show InChI InChI=1S/C19H23N5O2/c1-22-17-7-3-2-6-16(17)18(12-19(22)25)26-14-15-13-24(21-20-15)11-10-23-8-4-5-9-23/h2-3,6-7,12-13H,4-5,8-11,14H2,1H3/q+1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	2.00E+4	-27.9	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91619 (19q | alpha7 agonists 19q) Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C(O)(c1ccccc1)C(F)(F)F Show InChI InChI=1S/C19H24F3N4O/c1-26(2)15-8-9-16(26)11-14(10-15)25-12-17(23-24-25)18(27,19(20,21)22)13-6-4-3-5-7-13/h3-7,12,14-16,27H,8-11H2,1-2H3/q+1/t14-,15-,16+,18?	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	2.20E+4	-27.7	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91603 (4' | alpha7 agonists 4') Show SMILES CN1CC=C(OCc2cnnn2C2CC3CCC(C2)[N+]3(C)C)c2ccccc12 Show InChI InChI=1S/C22H30N5O/c1-25-11-10-22(20-6-4-5-7-21(20)25)28-15-17-14-23-24-26(17)16-12-18-8-9-19(13-16)27(18,2)3/h4-7,10,14,16,18-19H,8-9,11-13,15H2,1-3H3/q+1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	2.30E+4	-27.5	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91621 (21q | alpha7 agonists 21q) Show SMILES Cc1cc(C)nc(SCCCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)n1 Show InChI InChI=1S/C20H31N6S/c1-14-10-15(2)22-20(21-14)27-9-5-6-16-13-25(24-23-16)17-11-18-7-8-19(12-17)26(18,3)4/h10,13,17-19H,5-9,11-12H2,1-4H3/q+1/t17-,18-,19+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	2.71E+4	-27.1	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91638 (23t | alpha7 agonists 23t) Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)N2c3ccccc3CCc3ccccc23)nn1 Show InChI InChI=1S/C26H30N6O/c1-30-21-12-13-22(30)15-23(14-21)31-17-20(28-29-31)16-27-26(33)32-24-8-4-2-6-18(24)10-11-19-7-3-5-9-25(19)32/h2-9,17,21-23H,10-16H2,1H3,(H,27,33)/t21-,22+,23-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	>3.00E+4	>-26.9	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91636 (21t | alpha7 agonists 21t) Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CCCSc2nc(C)cc(C)n2)nn1 Show InChI InChI=1S/C19H28N6S/c1-13-9-14(2)21-19(20-13)26-8-4-5-15-12-25(23-22-15)18-10-16-6-7-17(11-18)24(16)3/h9,12,16-18H,4-8,10-11H2,1-3H3/t16-,17+,18-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	>3.00E+4	>-26.9	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91607 (alpha7 agonists 7) Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2cccc(c2)C#N)nn1 Show InChI InChI=1S/C19H24N5O/c1-24(2)17-6-7-18(24)10-16(9-17)23-12-15(21-22-23)13-25-19-5-3-4-14(8-19)11-20/h3-5,8,12,16-18H,6-7,9-10,13H2,1-2H3/q+1/t16-,17-,18+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	>3.00E+4	>-26.9	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91635 (20t | alpha7 agonists 20t) Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C1(O)c2ccccc2-c2ccccc12 Show InChI InChI=1S/C23H24N4O/c1-26-15-10-11-16(26)13-17(12-15)27-14-22(24-25-27)23(28)20-8-4-2-6-18(20)19-7-3-5-9-21(19)23/h2-9,14-17,28H,10-13H2,1H3/t15-,16+,17-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	>3.00E+4	>-26.9	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91634 (19t | alpha7 agonists 19t) Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C(O)(c1ccccc1)C(F)(F)F Show InChI InChI=1S/C18H21F3N4O/c1-24-13-7-8-14(24)10-15(9-13)25-11-16(22-23-25)17(26,18(19,20)21)12-5-3-2-4-6-12/h2-6,11,13-15,26H,7-10H2,1H3/t13-,14+,15-,17?	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	>3.00E+4	>-26.9	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91610 (10q | alpha7 agonists 10q) Show SMILES CC(=O)NCc1cn(nn1)[C@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C Show InChI InChI=1S/C14H23N5O/c1-10(20)15-8-11-9-18(17-16-11)12-6-13-4-5-14(7-12)19(13,2)3/h9,12-14H,4-8H2,1-3H3/p+1/t12-,13-,14+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	>3.00E+4	>-26.9	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91611 (11q | alpha7 agonists 11q) Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C1(O)CCCCC1 Show InChI InChI=1S/C17H29N4O/c1-21(2)14-6-7-15(21)11-13(10-14)20-12-16(18-19-20)17(22)8-4-3-5-9-17/h12-15,22H,3-11H2,1-2H3/q+1/t13-,14-,15+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	>3.00E+4	>-26.9	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91612 (12q | alpha7 agonists 12q) Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)c2ccco2)nn1 Show InChI InChI=1S/C17H23N5O2/c1-22(2)14-5-6-15(22)9-13(8-14)21-11-12(19-20-21)10-18-17(23)16-4-3-7-24-16/h3-4,7,11,13-15H,5-6,8-10H2,1-2H3/p+1/t13-,14-,15+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	>3.00E+4	>-26.9	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91632 (17t | alpha7 agonists 17t) Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H18F6N4/c1-27-13-2-3-14(27)8-15(7-13)28-9-16(25-26-28)10-4-11(17(19,20)21)6-12(5-10)18(22,23)24/h4-6,9,13-15H,2-3,7-8H2,1H3/t13-,14+,15-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	>3.00E+4	>-26.9	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91614 (14q | alpha7 agonists 14q) Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccccc2-c2ccno2)nn1 Show InChI InChI=1S/C21H26N5O2/c1-26(2)17-7-8-18(26)12-16(11-17)25-13-15(23-24-25)14-27-20-6-4-3-5-19(20)21-9-10-22-28-21/h3-6,9-10,13,16-18H,7-8,11-12,14H2,1-2H3/q+1/t16-,17-,18+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	>3.00E+4	>-26.9	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91631 (16t | alpha7 agonists 16t) Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)nn1 Show InChI InChI=1S/C17H22N6O4S/c1-21-14-2-3-15(21)9-16(8-14)22-11-12(19-20-22)10-18-28(26,27)17-6-4-13(5-7-17)23(24)25/h4-7,11,14-16,18H,2-3,8-10H2,1H3/t14-,15+,16-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	>3.00E+4	>-26.9	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91616 (16q | alpha7 agonists 16q) Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)nn1 Show InChI InChI=1S/C18H25N6O4S/c1-24(2)16-5-6-17(24)10-15(9-16)22-12-13(20-21-22)11-19-29(27,28)18-7-3-14(4-8-18)23(25)26/h3-4,7-8,12,15-17,19H,5-6,9-11H2,1-2H3/q+1/t15-,16-,17+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	>3.00E+4	>-26.9	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91629 (14t | alpha7 agonists 14t) Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccccc2-c2ccno2)nn1 Show InChI InChI=1S/C20H23N5O2/c1-24-15-6-7-16(24)11-17(10-15)25-12-14(22-23-25)13-26-19-5-3-2-4-18(19)20-8-9-21-27-20/h2-5,8-9,12,15-17H,6-7,10-11,13H2,1H3/t15-,16+,17-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	>3.00E+4	>-26.9	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91623 (23q | alpha7 agonists 23q) Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)N2c3ccccc3CCc3ccccc23)nn1 Show InChI InChI=1S/C27H32N6O/c1-33(2)23-13-14-24(33)16-22(15-23)31-18-21(29-30-31)17-28-27(34)32-25-9-5-3-7-19(25)11-12-20-8-4-6-10-26(20)32/h3-10,18,22-24H,11-17H2,1-2H3/p+1/t22-,23-,24+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	3.00E+4	-26.9	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91599 (2' | alpha7 agonists 2') Show SMILES CCC[N+](C)(C)CCn1nncc1COc1cc(=O)n(C)c2ccccc12 Show InChI InChI=1S/C20H28N5O2/c1-5-11-25(3,4)12-10-24-16(14-21-22-24)15-27-19-13-20(26)23(2)18-9-7-6-8-17(18)19/h6-9,13-14H,5,10-12,15H2,1-4H3/q+1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	>3.00E+4	>-26.9	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 (Homo sapiens (human))	BDBM91707 (alpha7 agonists 1') Show SMILES Cn1nncc1COc1cc(=O)n(C)c2ccccc12 Show InChI InChI=1S/C14H14N4O2/c1-17-12-6-4-3-5-11(12)13(7-14(17)19)20-9-10-8-15-16-18(10)2/h3-8H,9H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	3.00E+4	-26.9	n/a	n/a	n/a	n/a	n/a	7.4	37
University of California, San Diego					Assay Description Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...				Taylor Research Group Article DOI: 10.1021/acs.biochem.6b00446 BindingDB Entry DOI: 10.7270/Q2805163
					More data for this Ligand-Target Pair

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