Compile Data Set for Download or QSAR

Found 448 hits Enz. Inhib. hit(s) with all data for entry = 1426   

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))	BDBM322432 ((R)-7-phenyl-N-(1'-azaspiro[cyclopropane-1,2'-bicy...) Show SMILES O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2cccc(-c3ccccc3)c2s1 Show InChI InChI=1S/C24H24N2OS/c27-23(25-22-17-9-13-26(14-10-17)24(22)11-12-24)20-15-18-7-4-8-19(21(18)28-20)16-5-2-1-3-6-16/h1-8,15,17,22H,9-14H2,(H,25,27)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description [3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322406 ((R)-7-cyclopropyl-N-(1'-azaspiro[cyclopropane-1,2'...) Show SMILES O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2cccc(C3CC3)c2s1 Show InChI InChI=1S/C21H24N2OS/c24-20(22-19-14-6-10-23(11-7-14)21(19)8-9-21)17-12-15-2-1-3-16(13-4-5-13)18(15)25-17/h1-3,12-14,19H,4-11H2,(H,22,24)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322274 (7-chloro-N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[...) Show SMILES Clc1cccc2cc(sc12)C(=O)NC1C2CCN(CC2)C11CC1 Show InChI InChI=1S/C18H19ClN2OS/c19-13-3-1-2-12-10-14(23-15(12)13)17(22)20-16-11-4-8-21(9-5-11)18(16)6-7-18/h1-3,10-11,16H,4-9H2,(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322452 ((R)-6-chloro-7-methyl-N-(1'-azaspiro[cyclopropane-...) Show SMILES Cc1c(Cl)ccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1 Show InChI InChI=1S/C19H21ClN2OS/c1-11-14(20)3-2-13-10-15(24-16(11)13)18(23)21-17-12-4-8-22(9-5-12)19(17)6-7-19/h2-3,10,12,17H,4-9H2,1H3,(H,21,23)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM322274 (7-chloro-N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[...) Show SMILES Clc1cccc2cc(sc12)C(=O)NC1C2CCN(CC2)C11CC1 Show InChI InChI=1S/C18H19ClN2OS/c19-13-3-1-2-12-10-14(23-15(12)13)17(22)20-16-11-4-8-21(9-5-11)18(16)6-7-18/h1-3,10-11,16H,4-9H2,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description [3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322387 ((R)-6,7-dichloro-N-(1'-azaspiro[cyclopropane-1,2'-...) Show SMILES Clc1ccc2cc(sc2c1Cl)C(=O)N[C@@H]1C2CCN(CC2)C11CC1 Show InChI InChI=1S/C18H18Cl2N2OS/c19-12-2-1-11-9-13(24-15(11)14(12)20)17(23)21-16-10-3-7-22(8-4-10)18(16)5-6-18/h1-2,9-10,16H,3-8H2,(H,21,23)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	54.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322402 ((R)-7-methoxy-N-(1'-azaspiro[cyclopropane-1,2'-bic...) Show SMILES COc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1 Show InChI InChI=1S/C19H22N2O2S/c1-23-14-4-2-3-13-11-15(24-16(13)14)18(22)20-17-12-5-9-21(10-6-12)19(17)7-8-19/h2-4,11-12,17H,5-10H2,1H3,(H,20,22)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322271 (N-(1''-azaspiro[cyclopropane-1,2''-bicyclo[2.2.2]o...) Show SMILES O=C(NC1C2CCN(CC2)C11CC1)c1cc2ccccc2s1 Show InChI InChI=1S/C18H20N2OS/c21-17(15-11-13-3-1-2-4-14(13)22-15)19-16-12-5-9-20(10-6-12)18(16)7-8-18/h1-4,11-12,16H,5-10H2,(H,19,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322275 (7-fluoro-N-(1''-azaspiro[cyclopropane-1,2''-bicycl...) Show SMILES Fc1cccc2cc(sc12)C(=O)NC1C2CCN(CC2)C11CC1 Show InChI InChI=1S/C18H19FN2OS/c19-13-3-1-2-12-10-14(23-15(12)13)17(22)20-16-11-4-8-21(9-5-11)18(16)6-7-18/h1-3,10-11,16H,4-9H2,(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM322440 ((R)-N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[2.2.2...) Show SMILES O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1n[nH]c2ccccc12 Show InChI InChI=1S/C17H20N4O/c22-16(14-12-3-1-2-4-13(12)19-20-14)18-15-11-5-9-21(10-6-11)17(15)7-8-17/h1-4,11,15H,5-10H2,(H,18,22)(H,19,20)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description [3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM322427 ((R)-N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[2.2.2...) Show SMILES O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2cccc(-c3nccs3)c2s1 Show InChI InChI=1S/C21H21N3OS2/c25-19(23-18-13-4-9-24(10-5-13)21(18)6-7-21)16-12-14-2-1-3-15(17(14)27-16)20-22-8-11-26-20/h1-3,8,11-13,18H,4-7,9-10H2,(H,23,25)/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description [3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322385 ((R)-6-chloro-N-(2,2-dimethylquinuclidin-3-yl)-7-me...) Show SMILES Cc1c(Cl)ccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:14.15,(-3.98,2.31,;-3.98,.77,;-5.32,,;-6.65,.77,;-5.32,-1.54,;-3.98,-2.31,;-2.65,-1.54,;-1.18,-2.02,;-.28,-.77,;-1.18,.48,;-2.65,,;1.26,-.77,;2.03,-2.1,;2.03,.56,;3.57,.56,;4.34,1.9,;5.37,1.38,;5.95,.38,;5.88,-.77,;6.65,.56,;5.88,1.9,;4.34,-.77,;4.34,-2.31,;3.01,-1.54,)| Show InChI InChI=1S/C19H23ClN2OS/c1-11-14(20)5-4-13-10-15(24-16(11)13)18(23)21-17-12-6-8-22(9-7-12)19(17,2)3/h4-5,10,12,17H,6-9H2,1-3H3,(H,21,23)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322280 (N-(1''-azaspiro[cyclopropane-1,2''-bicyclo[2.2.2]o...) Show SMILES FC(F)(F)c1cccc2cc(sc12)C(=O)NC1C2CCN(CC2)C11CC1 Show InChI InChI=1S/C19H19F3N2OS/c20-19(21,22)13-3-1-2-12-10-14(26-15(12)13)17(25)23-16-11-4-8-24(9-5-11)18(16)6-7-18/h1-3,10-11,16H,4-9H2,(H,23,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM322368 ((R)-N-(2,2-dimethylquinuclidin-3-yl)-7-phenylbenzo...) Show SMILES CC1(C)[C@H](NC(=O)c2cc3cccc(-c4ccccc4)c3s2)C2CCN1CC2 |wD:3.3,(3.67,-3.85,;3.67,-2.31,;2.34,-3.08,;2.9,-.98,;1.36,-.98,;.59,-2.31,;1.36,-3.64,;-.95,-2.31,;-1.85,-3.56,;-3.32,-3.08,;-4.65,-3.85,;-5.98,-3.08,;-5.98,-1.54,;-4.65,-.77,;-4.65,.77,;-5.98,1.54,;-5.98,3.08,;-4.65,3.85,;-3.32,3.08,;-3.32,1.54,;-3.32,-1.54,;-1.85,-1.06,;3.67,.36,;4.71,-.16,;5.28,-1.16,;5.21,-2.31,;5.98,-.98,;5.21,.36,)| Show InChI InChI=1S/C24H26N2OS/c1-24(2)22(17-11-13-26(24)14-12-17)25-23(27)20-15-18-9-6-10-19(21(18)28-20)16-7-4-3-5-8-16/h3-10,15,17,22H,11-14H2,1-2H3,(H,25,27)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description [3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322451 ((R)-N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[2.2.2...) Show SMILES O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2ccc3OCCCc3c2s1 Show InChI InChI=1S/C21H24N2O2S/c24-20(22-19-13-5-9-23(10-6-13)21(19)7-8-21)17-12-14-3-4-16-15(18(14)26-17)2-1-11-25-16/h3-4,12-13,19H,1-2,5-11H2,(H,22,24)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322283 (6-amino-N-(1''-azaspiro[cyclopropane-1,2''-bicyclo...) Show SMILES Nc1ccc2cc(sc2c1)C(=O)NC1C2CCN(CC2)C11CC1 Show InChI InChI=1S/C18H21N3OS/c19-13-2-1-12-9-15(23-14(12)10-13)17(22)20-16-11-3-7-21(8-4-11)18(16)5-6-18/h1-2,9-11,16H,3-8,19H2,(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322277 (N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[2.2.2]oct...) Show SMILES O=C(NC1C2CCN(CC2)C11CC1)c1ccc2ccsc2c1 Show InChI InChI=1S/C18H20N2OS/c21-17(14-2-1-12-5-10-22-15(12)11-14)19-16-13-3-8-20(9-4-13)18(16)6-7-18/h1-2,5,10-11,13,16H,3-4,6-9H2,(H,19,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM322275 (7-fluoro-N-(1''-azaspiro[cyclopropane-1,2''-bicycl...) Show SMILES Fc1cccc2cc(sc12)C(=O)NC1C2CCN(CC2)C11CC1 Show InChI InChI=1S/C18H19FN2OS/c19-13-3-1-2-12-10-14(23-15(12)13)17(22)20-16-11-4-8-21(9-5-11)18(16)6-7-18/h1-3,10-11,16H,4-9H2,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description [3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322193 ((R)-7-chloro-N-(2,2-dimethylquinuclidin-3-yl)benzo...) Show SMILES CC1(C)[C@H](NC(=O)c2cc3cccc(Cl)c3s2)C2CCN1CC2 |wD:3.3,(3.67,-2.31,;3.67,-.77,;2.34,-1.54,;2.9,.56,;1.36,.56,;.59,-.77,;1.36,-2.1,;-.95,-.77,;-1.85,-2.02,;-3.32,-1.54,;-4.65,-2.31,;-5.98,-1.54,;-5.98,,;-4.65,.77,;-4.65,2.31,;-3.32,,;-1.85,.48,;3.67,1.9,;4.71,1.38,;5.28,.38,;5.21,-.77,;5.98,.56,;5.21,1.9,)| Show InChI InChI=1S/C18H21ClN2OS/c1-18(2)16(11-6-8-21(18)9-7-11)20-17(22)14-10-12-4-3-5-13(19)15(12)23-14/h3-5,10-11,16H,6-9H2,1-2H3,(H,20,22)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM322430 ((R)-7-(tert-butyl)-N-(1'-azaspiro[cyclopropane-1,2...) Show SMILES CC(C)(C)c1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1 Show InChI InChI=1S/C22H28N2OS/c1-21(2,3)16-6-4-5-15-13-17(26-18(15)16)20(25)23-19-14-7-11-24(12-8-14)22(19)9-10-22/h4-6,13-14,19H,7-12H2,1-3H3,(H,23,25)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description [3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322401 ((R)-7-cyano-N-(1'-azaspiro[cyclopropane-1,2'-bicyc...) Show SMILES O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2cccc(C#N)c2s1 Show InChI InChI=1S/C19H19N3OS/c20-11-14-3-1-2-13-10-15(24-16(13)14)18(23)21-17-12-4-8-22(9-5-12)19(17)6-7-19/h1-3,10,12,17H,4-9H2,(H,21,23)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322345 ((R)-6,7-dichloro-N-(2,2-dimethylquinuclidin-3-yl)b...) Show SMILES CC1(C)[C@H](NC(=O)c2cc3ccc(Cl)c(Cl)c3s2)C2CCN1CC2 |wD:3.3,(4.34,-2.31,;4.34,-.77,;3.01,-1.54,;3.57,.56,;2.03,.56,;1.26,-.77,;2.03,-2.1,;-.28,-.77,;-1.18,-2.02,;-2.65,-1.54,;-3.98,-2.31,;-5.32,-1.54,;-5.32,,;-6.65,.77,;-3.98,.77,;-3.98,2.31,;-2.65,,;-1.18,.48,;4.34,1.9,;5.37,1.38,;5.95,.38,;5.88,-.77,;6.65,.56,;5.88,1.9,)| Show InChI InChI=1S/C18H20Cl2N2OS/c1-18(2)16(10-5-7-22(18)8-6-10)21-17(23)13-9-11-3-4-12(19)14(20)15(11)24-13/h3-4,9-10,16H,5-8H2,1-2H3,(H,21,23)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322302 (6-methoxy-N-(1''-azaspiro[cyclopropane-1,2''-bicyc...) Show SMILES COc1ccc2cc(sc2c1)C(=O)NC1C2CCN(CC2)C11CC1 Show InChI InChI=1S/C19H22N2O2S/c1-23-14-3-2-13-10-16(24-15(13)11-14)18(22)20-17-12-4-8-21(9-5-12)19(17)6-7-19/h2-3,10-12,17H,4-9H2,1H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322422 ((R)-7-methyl-N-(1'-azaspiro[cyclopropane-1,2'-bicy...) Show SMILES Cc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1 Show InChI InChI=1S/C19H22N2OS/c1-12-3-2-4-14-11-15(23-16(12)14)18(22)20-17-13-5-9-21(10-6-13)19(17)7-8-19/h2-4,11,13,17H,5-10H2,1H3,(H,20,22)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM322422 ((R)-7-methyl-N-(1'-azaspiro[cyclopropane-1,2'-bicy...) Show SMILES Cc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1 Show InChI InChI=1S/C19H22N2OS/c1-12-3-2-4-14-11-15(23-16(12)14)18(22)20-17-13-5-9-21(10-6-13)19(17)7-8-19/h2-4,11,13,17H,5-10H2,1H3,(H,20,22)/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description [3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322354 ((R)-7-cyclopropyl-N-(2,2-dimethylquinuclidin-3-yl)...) Show SMILES CC1(C)[C@H](NC(=O)c2cc3cccc(C4CC4)c3s2)C2CCN1CC2 |wD:3.3,(3.67,-2.98,;3.67,-1.44,;2.34,-2.21,;2.9,-.1,;1.36,-.1,;.59,-1.44,;1.36,-2.77,;-.95,-1.44,;-1.85,-2.68,;-3.32,-2.21,;-4.65,-2.98,;-5.98,-2.21,;-5.98,-.67,;-4.65,.1,;-4.65,1.64,;-5.42,2.98,;-3.88,2.98,;-3.32,-.67,;-1.85,-.19,;3.67,1.23,;4.71,.72,;5.28,-.28,;5.21,-1.44,;5.98,-.1,;5.21,1.23,)| Show InChI InChI=1S/C21H26N2OS/c1-21(2)19(14-8-10-23(21)11-9-14)22-20(24)17-12-15-4-3-5-16(13-6-7-13)18(15)25-17/h3-5,12-14,19H,6-11H2,1-2H3,(H,22,24)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322362 ((R)-N-(2,2-dimethylquinuclidin-3-yl)-7-methylbenzo...) Show SMILES Cc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:13.14,(-4.65,2.31,;-4.65,.77,;-5.98,,;-5.98,-1.54,;-4.65,-2.31,;-3.32,-1.54,;-1.85,-2.02,;-.95,-.77,;-1.85,.48,;-3.32,,;.59,-.77,;1.36,-2.1,;1.36,.56,;2.9,.56,;3.67,1.9,;4.71,1.38,;5.28,.38,;5.21,-.77,;5.98,.56,;5.21,1.9,;3.67,-.77,;3.67,-2.31,;2.34,-1.54,)| Show InChI InChI=1S/C19H24N2OS/c1-12-5-4-6-14-11-15(23-16(12)14)18(22)20-17-13-7-9-21(10-8-13)19(17,2)3/h4-6,11,13,17H,7-10H2,1-3H3,(H,20,22)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322427 ((R)-N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[2.2.2...) Show SMILES O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2cccc(-c3nccs3)c2s1 Show InChI InChI=1S/C21H21N3OS2/c25-19(23-18-13-4-9-24(10-5-13)21(18)6-7-21)16-12-14-2-1-3-15(17(14)27-16)20-22-8-11-26-20/h1-3,8,11-13,18H,4-7,9-10H2,(H,23,25)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	147	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322448 ((R)-N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[2.2.2...) Show SMILES O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2ccc3CCCOc3c2s1 Show InChI InChI=1S/C21H24N2O2S/c24-20(22-19-14-5-9-23(10-6-14)21(19)7-8-21)16-12-15-4-3-13-2-1-11-25-17(13)18(15)26-16/h3-4,12,14,19H,1-2,5-11H2,(H,22,24)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322342 ((R)-7-fluoro-6-methyl-N-(1'-azaspiro[cyclopropane-...) Show SMILES Cc1ccc2cc(sc2c1F)C(=O)N[C@@H]1C2CCN(CC2)C11CC1 Show InChI InChI=1S/C19H21FN2OS/c1-11-2-3-13-10-14(24-16(13)15(11)20)18(23)21-17-12-4-8-22(9-5-12)19(17)6-7-19/h2-3,10,12,17H,4-9H2,1H3,(H,21,23)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322380 ((R)-N-(2,2-dimethylquinuclidin-3-yl)-7-(methoxymet...) Show SMILES COCc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:15.16,(-5.98,3.46,;-5.98,1.93,;-4.65,1.16,;-4.65,-.38,;-5.98,-1.16,;-5.98,-2.7,;-4.65,-3.46,;-3.32,-2.7,;-1.85,-3.17,;-.95,-1.93,;-1.85,-.68,;-3.32,-1.16,;.59,-1.93,;1.36,-3.26,;1.36,-.59,;2.9,-.59,;3.67,.74,;4.71,.23,;5.28,-.77,;5.21,-1.93,;5.98,-.59,;5.21,.74,;3.67,-1.93,;3.67,-3.46,;2.34,-2.7,)| Show InChI InChI=1S/C20H26N2O2S/c1-20(2)18(13-7-9-22(20)10-8-13)21-19(23)16-11-14-5-4-6-15(12-24-3)17(14)25-16/h4-6,11,13,18H,7-10,12H2,1-3H3,(H,21,23)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322449 ((R)-2-methyl-N-(1'-azaspiro[cyclopropane-1,2'-bicy...) Show SMILES Cc1cc2ccc(cc2s1)C(=O)N[C@@H]1C2CCN(CC2)C11CC1 Show InChI InChI=1S/C19H22N2OS/c1-12-10-14-2-3-15(11-16(14)23-12)18(22)20-17-13-4-8-21(9-5-13)19(17)6-7-19/h2-3,10-11,13,17H,4-9H2,1H3,(H,20,22)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322393 ((R)-7-chloro-6-methyl-N-(1'-azaspiro[cyclopropane-...) Show SMILES Cc1ccc2cc(sc2c1Cl)C(=O)N[C@@H]1C2CCN(CC2)C11CC1 Show InChI InChI=1S/C19H21ClN2OS/c1-11-2-3-13-10-14(24-16(13)15(11)20)18(23)21-17-12-4-8-22(9-5-12)19(17)6-7-19/h2-3,10,12,17H,4-9H2,1H3,(H,21,23)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM322437 ((R)-7-isopropoxy-N-(1'-azaspiro[cyclopropane-1,2'-...) Show SMILES CC(C)Oc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1 Show InChI InChI=1S/C21H26N2O2S/c1-13(2)25-16-5-3-4-15-12-17(26-18(15)16)20(24)22-19-14-6-10-23(11-7-14)21(19)8-9-21/h3-5,12-14,19H,6-11H2,1-2H3,(H,22,24)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description [3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322444 ((R)-6-fluoro-7-methoxy-N-(1'-azaspiro[cyclopropane...) Show SMILES COc1c(F)ccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1 Show InChI InChI=1S/C19H21FN2O2S/c1-24-15-13(20)3-2-12-10-14(25-16(12)15)18(23)21-17-11-4-8-22(9-5-11)19(17)6-7-19/h2-3,10-11,17H,4-9H2,1H3,(H,21,23)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM322362 ((R)-N-(2,2-dimethylquinuclidin-3-yl)-7-methylbenzo...) Show SMILES Cc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:13.14,(-4.65,2.31,;-4.65,.77,;-5.98,,;-5.98,-1.54,;-4.65,-2.31,;-3.32,-1.54,;-1.85,-2.02,;-.95,-.77,;-1.85,.48,;-3.32,,;.59,-.77,;1.36,-2.1,;1.36,.56,;2.9,.56,;3.67,1.9,;4.71,1.38,;5.28,.38,;5.21,-.77,;5.98,.56,;5.21,1.9,;3.67,-.77,;3.67,-2.31,;2.34,-1.54,)| Show InChI InChI=1S/C19H24N2OS/c1-12-5-4-6-14-11-15(23-16(12)14)18(22)20-17-13-7-9-21(10-8-13)19(17,2)3/h4-6,11,13,17H,7-10H2,1-3H3,(H,20,22)/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description [3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322382 ((R)-N-(2,2-dimethylquinuclidin-3-yl)-8,9-dihydro-7...) Show SMILES CC1(C)[C@H](NC(=O)c2cc3ccc4OCCCc4c3s2)C2CCN1CC2 |wU:3.3,(1.21,2.94,;2.54,3.71,;1.21,4.48,;3.31,2.37,;2.54,1.04,;1,1.04,;.23,2.37,;.23,-.29,;.86,-1.7,;-.29,-2.73,;-.29,-4.27,;-1.62,-5.04,;-2.95,-4.27,;-4.29,-5.04,;-5.62,-4.27,;-5.62,-2.73,;-4.29,-1.96,;-2.95,-2.73,;-1.62,-1.96,;-1.3,-.45,;4.85,2.37,;4.92,3.52,;4.34,4.53,;3.31,5.04,;4.85,5.04,;5.62,3.71,)| Show InChI InChI=1S/C21H26N2O2S/c1-21(2)19(13-7-9-23(21)10-8-13)22-20(24)17-12-14-5-6-16-15(18(14)26-17)4-3-11-25-16/h5-6,12-13,19H,3-4,7-11H2,1-2H3,(H,22,24)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322292 (6-methyl-N-(1''-azaspiro[cyclopropane-1,2''-bicycl...) Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1C2CCN(CC2)C11CC1 Show InChI InChI=1S/C19H22N2OS/c1-12-2-3-14-11-16(23-15(14)10-12)18(22)20-17-13-4-8-21(9-5-13)19(17)6-7-19/h2-3,10-11,13,17H,4-9H2,1H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322286 (6-chloro-N-(1''-azaspiro[cyclopropane-1,2''-bicycl...) Show SMILES Clc1ccc2cc(sc2c1)C(=O)NC1C2CCN(CC2)C11CC1 Show InChI InChI=1S/C18H19ClN2OS/c19-13-2-1-12-9-15(23-14(12)10-13)17(22)20-16-11-3-7-21(8-4-11)18(16)5-6-18/h1-2,9-11,16H,3-8H2,(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322269 ((R)-7-chloro-N-(2,2-dimethylquinuclidin-3-yl)-6-me...) Show SMILES Cc1ccc2cc(sc2c1Cl)C(=O)N[C@@H]1C2CCN(CC2)C1(C)C |wD:14.15,(-6.65,.77,;-5.32,,;-5.32,-1.54,;-3.98,-2.31,;-2.65,-1.54,;-1.18,-2.02,;-.28,-.77,;-1.18,.48,;-2.65,,;-3.98,.77,;-3.98,2.31,;1.26,-.77,;2.03,-2.1,;2.03,.56,;3.57,.56,;4.34,1.9,;5.37,1.38,;5.95,.38,;5.88,-.77,;6.65,.56,;5.88,1.9,;4.34,-.77,;4.34,-2.31,;3.01,-1.54,)| Show InChI InChI=1S/C19H23ClN2OS/c1-11-4-5-13-10-14(24-16(13)15(11)20)18(23)21-17-12-6-8-22(9-7-12)19(17,2)3/h4-5,10,12,17H,6-9H2,1-3H3,(H,21,23)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322445 ((R)-7-cyano-6-methyl-N-(1'-azaspiro[cyclopropane-1...) Show SMILES Cc1ccc2cc(sc2c1C#N)C(=O)N[C@@H]1C2CCN(CC2)C11CC1 Show InChI InChI=1S/C20H21N3OS/c1-12-2-3-14-10-16(25-17(14)15(12)11-21)19(24)22-18-13-4-8-23(9-5-13)20(18)6-7-20/h2-3,10,13,18H,4-9H2,1H3,(H,22,24)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM322406 ((R)-7-cyclopropyl-N-(1'-azaspiro[cyclopropane-1,2'...) Show SMILES O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2cccc(C3CC3)c2s1 Show InChI InChI=1S/C21H24N2OS/c24-20(22-19-14-6-10-23(11-7-14)21(19)8-9-21)17-12-15-2-1-3-16(13-4-5-13)18(15)25-17/h1-3,12-14,19H,4-11H2,(H,22,24)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description [3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322436 ((R)-7-ethoxy-N-(1'-azaspiro[cyclopropane-1,2'-bicy...) Show SMILES CCOc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1 Show InChI InChI=1S/C20H24N2O2S/c1-2-24-15-5-3-4-14-12-16(25-17(14)15)19(23)21-18-13-6-10-22(11-7-13)20(18)8-9-20/h3-5,12-13,18H,2,6-11H2,1H3,(H,21,23)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322399 ((R)-7-chloro-6-fluoro-N-(1'-azaspiro[cyclopropane-...) Show SMILES Fc1ccc2cc(sc2c1Cl)C(=O)N[C@@H]1C2CCN(CC2)C11CC1 Show InChI InChI=1S/C18H18ClFN2OS/c19-14-12(20)2-1-11-9-13(24-15(11)14)17(23)21-16-10-3-7-22(8-4-10)18(16)5-6-18/h1-2,9-10,16H,3-8H2,(H,21,23)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322285 (5-fluoro-N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[...) Show SMILES Fc1ccc2sc(cc2c1)C(=O)NC1C2CCN(CC2)C11CC1 Show InChI InChI=1S/C18H19FN2OS/c19-13-1-2-14-12(9-13)10-15(23-14)17(22)20-16-11-3-7-21(8-4-11)18(16)5-6-18/h1-2,9-11,16H,3-8H2,(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM322434 ((R)-7-(1-methylcyclopropyl)-N-(1'-azaspiro[cyclopr...) Show SMILES CC1(CC1)c1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1 Show InChI InChI=1S/C22H26N2OS/c1-21(7-8-21)16-4-2-3-15-13-17(26-18(15)16)20(25)23-19-14-5-11-24(12-6-14)22(19)9-10-22/h2-4,13-14,19H,5-12H2,1H3,(H,23,25)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description [3H]BRL 43694 competition binding assay was performed under contract by Cerep Poitiers, France following the methods described in Hope, A. G et al., ...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322298 (6-cyclopropyl-N-(1''-azaspiro[cyclopropane-1,2''-b...) Show SMILES O=C(NC1C2CCN(CC2)C11CC1)c1cc2ccc(cc2s1)C1CC1 Show InChI InChI=1S/C21H24N2OS/c24-20(22-19-14-5-9-23(10-6-14)21(19)7-8-21)18-12-16-4-3-15(13-1-2-13)11-17(16)25-18/h3-4,11-14,19H,1-2,5-10H2,(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322438 ((R)-6-chloro-7-methoxy-N-(1'-azaspiro[cyclopropane...) Show SMILES COc1c(Cl)ccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1 Show InChI InChI=1S/C19H21ClN2O2S/c1-24-15-13(20)3-2-12-10-14(25-16(12)15)18(23)21-17-11-4-8-22(9-5-11)19(17)6-7-19/h2-3,10-11,17H,4-9H2,1H3,(H,21,23)/t17-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322282 (6-fluoro-N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[...) Show SMILES Fc1ccc2cc(sc2c1)C(=O)NC1C2CCN(CC2)C11CC1 Show InChI InChI=1S/C18H19FN2OS/c19-13-2-1-12-9-15(23-14(12)10-13)17(22)20-16-11-3-7-21(8-4-11)18(16)5-6-18/h1-2,9-11,16H,3-8H2,(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM322437 ((R)-7-isopropoxy-N-(1'-azaspiro[cyclopropane-1,2'-...) Show SMILES CC(C)Oc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1 Show InChI InChI=1S/C21H26N2O2S/c1-13(2)25-16-5-3-4-15-12-17(26-18(15)16)20(24)22-19-14-6-10-23(11-7-14)21(19)8-9-21/h3-5,12-14,19H,6-11H2,1-2H3,(H,22,24)/t19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Axovant Sciences GmbH US Patent					Assay Description The ability of compounds to displace binding of radioactive ligands from human α7 nAChR was determined, as a measure of the affinity of the comp...				US Patent US10183938 (2019) BindingDB Entry DOI: 10.7270/Q2VD71JR
					More data for this Ligand-Target Pair

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