Compile Data Set for Download or QSAR

Found 50 hits with Last Name = 'takanashi' and Initial = 's'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50190686 ((R)-3'-(2,3-dimethylbenzo[b]thiophen-5-yl)spiro[1-...) Show SMILES Cc1oc2ccc(cc2c1C)N1C[C@]2(CN3CCC2CC3)OC1=O |wU:13.24,TLB:12:13:17.16:19.20,THB:21:13:17.16:19.20,(27.52,-20.9,;26.53,-19.72,;25,-19.82,;24.43,-18.39,;22.98,-17.87,;22.71,-16.35,;23.89,-15.35,;25.34,-15.88,;25.6,-17.4,;26.9,-18.22,;28.33,-17.65,;23.82,-13.81,;22.53,-12.96,;22.94,-11.47,;22.66,-10.07,;21.3,-9.46,;19.83,-10.11,;20.03,-11.49,;21.57,-10.83,;21.82,-8.93,;21.38,-7.82,;24.48,-11.4,;25.02,-12.84,;26.52,-13.24,)| Show InChI InChI=1S/C19H22N2O3/c1-12-13(2)23-17-4-3-15(9-16(12)17)21-11-19(24-18(21)22)10-20-7-5-14(19)6-8-20/h3-4,9,14H,5-8,10-11H2,1-2H3/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Displacement of [125I]alpha-BTX from alpha-7 nAChR in rat hippocampus membrane				J Med Chem 49: 4374-83 (2006) Article DOI: 10.1021/jm060249c BindingDB Entry DOI: 10.7270/Q2BR8T08
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50190677 ((R)-3'-(3-bromobenzo[b]thiophen-5-yl)spiro[1-azabi...) Show SMILES Brc1coc2ccc(cc12)N1C[C@]2(CN3CCC2CC3)OC1=O |wU:12.23,TLB:11:12:16.15:18.19,THB:20:12:16.15:18.19,(18.37,-17.66,;16.95,-18.23,;16.58,-19.73,;15.04,-19.83,;14.48,-18.4,;13.03,-17.88,;12.76,-16.36,;13.94,-15.36,;15.38,-15.89,;15.65,-17.41,;13.87,-13.82,;12.58,-12.98,;12.99,-11.49,;12.71,-10.09,;11.36,-9.48,;9.89,-10.13,;10.08,-11.51,;11.62,-10.85,;11.87,-8.95,;11.43,-7.84,;14.52,-11.41,;15.07,-12.85,;16.56,-13.26,)| Show InChI InChI=1S/C17H17BrN2O3/c18-14-8-22-15-2-1-12(7-13(14)15)20-10-17(23-16(20)21)9-19-5-3-11(17)4-6-19/h1-2,7-8,11H,3-6,9-10H2/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Displacement of [125I]alpha-BTX from alpha-7 nAChR in rat hippocampus membrane				J Med Chem 49: 4374-83 (2006) Article DOI: 10.1021/jm060249c BindingDB Entry DOI: 10.7270/Q2BR8T08
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50164606 ((2R)-3'-(5-bromothien-2-yl)-2'H-spiro[4-azabicyclo...) Show SMILES Brc1ccc(s1)N1C[C@@]2(CN3CCC2CC3)OC1=O |wU:8.18,(9.64,1.56,;8.17,1.11,;7.65,-.34,;6.1,-.29,;5.67,1.18,;6.94,2.06,;4.22,1.7,;2.95,.82,;1.71,1.77,;1.71,.23,;.38,-.55,;-.94,.23,;-.94,1.77,;.38,2.54,;-.23,1.35,;.87,.72,;2.25,3.22,;3.79,3.17,;4.73,4.39,)| Show InChI InChI=1S/C13H15BrN2O2S/c14-10-1-2-11(19-10)16-8-13(18-12(16)17)7-15-5-3-9(13)4-6-15/h1-2,9H,3-8H2/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7				J Med Chem 48: 2678-86 (2005) Article DOI: 10.1021/jm049188d BindingDB Entry DOI: 10.7270/Q2M0466W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50190696 ((2S)-3'-(5-bromothien-2-yl)-2'H-spiro[4-azabicyclo...) Show SMILES Brc1ccc(s1)N1C[C@]2(CN3CCC2CC3)OC1=O |wU:8.18,TLB:7:8:12.11:14.15,THB:16:8:12.11:14.15,(5.67,-5.62,;4.7,-4.42,;3.16,-4.5,;2.61,-3.06,;3.81,-2.09,;5.1,-2.93,;3.74,-.55,;2.45,.29,;2.85,1.77,;2.57,3.17,;1.22,3.79,;-.25,3.14,;-.05,1.76,;1.49,2.42,;1.74,4.32,;1.29,5.43,;4.39,1.85,;4.93,.41,;6.42,.01,)| Show InChI InChI=1S/C13H15BrN2O2S/c14-10-1-2-11(19-10)16-8-13(18-12(16)17)7-15-5-3-9(13)4-6-15/h1-2,9H,3-8H2/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Displacement of [125I]alpha-BTX from alpha-7 nAChR in rat hippocampus membrane				J Med Chem 49: 4374-83 (2006) Article DOI: 10.1021/jm060249c BindingDB Entry DOI: 10.7270/Q2BR8T08
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50164618 ((2R)-3'-(5-chlorothien-2-yl)-2'H-spiro[4-azabicycl...) Show SMILES Clc1ccc(s1)N1C[C@@]2(CN3CCC2CC3)OC1=O |wU:8.18,(9.64,1.56,;8.17,1.11,;7.65,-.34,;6.1,-.29,;5.67,1.18,;6.94,2.06,;4.22,1.7,;2.95,.82,;1.71,1.77,;1.71,.23,;.38,-.55,;-.94,.23,;-.94,1.77,;.38,2.54,;-.23,1.35,;.87,.72,;2.25,3.22,;3.79,3.17,;4.73,4.39,)| Show InChI InChI=1S/C13H15ClN2O2S/c14-10-1-2-11(19-10)16-8-13(18-12(16)17)7-15-5-3-9(13)4-6-15/h1-2,9H,3-8H2/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7				J Med Chem 48: 2678-86 (2005) Article DOI: 10.1021/jm049188d BindingDB Entry DOI: 10.7270/Q2M0466W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50164607 ((2R)-3'-(5-methylthien-2-yl)-2'H-spiro[4-azabicycl...) Show SMILES Cc1ccc(s1)N1C[C@@]2(CN3CCC2CC3)OC1=O |wU:8.18,(11.79,1.56,;10.31,1.11,;9.78,-.33,;8.24,-.29,;7.82,1.18,;9.08,2.05,;6.38,1.7,;5.09,.82,;3.88,1.77,;3.88,.23,;2.55,-.54,;1.22,.23,;1.22,1.77,;2.55,2.54,;1.92,1.35,;3.03,.72,;4.41,3.21,;5.93,3.17,;6.89,4.38,)| Show InChI InChI=1S/C14H18N2O2S/c1-10-2-3-12(19-10)16-9-14(18-13(16)17)8-15-6-4-11(14)5-7-15/h2-3,11H,4-9H2,1H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7				J Med Chem 48: 2678-86 (2005) Article DOI: 10.1021/jm049188d BindingDB Entry DOI: 10.7270/Q2M0466W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50149146 ((S)-3-(Benzo[b]thiophen-2-ylmethoxy)-1-aza-bicyclo...) Show SMILES C(O[C@@H]1CN2CCC1CC2)c1cc2ccccc2s1 |wD:2.1,(.52,2.64,;-.81,3.43,;-2.15,2.66,;-2.15,1.11,;-3.48,.34,;-3.04,1.54,;-4.11,2.26,;-3.48,3.43,;-4.81,2.66,;-4.81,1.11,;1.86,3.41,;3.26,2.78,;4.29,3.92,;5.83,3.9,;6.62,5.24,;5.85,6.59,;4.31,6.59,;3.53,5.26,;2.02,4.95,)| Show InChI InChI=1S/C16H19NOS/c1-2-4-16-13(3-1)9-14(19-16)11-18-15-10-17-7-5-12(15)6-8-17/h1-4,9,12,15H,5-8,10-11H2/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7				J Med Chem 48: 2678-86 (2005) Article DOI: 10.1021/jm049188d BindingDB Entry DOI: 10.7270/Q2M0466W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50164611 ((2R)-3'-(5-ethylthien-2-yl)-2'H-spiro[4-azabicyclo...) Show SMILES CCc1ccc(s1)N1C[C@@]2(CN3CCC2CC3)OC1=O |wU:9.19,(12.9,.48,;11.79,1.56,;10.31,1.11,;9.78,-.33,;8.24,-.29,;7.82,1.18,;9.08,2.05,;6.38,1.7,;5.09,.82,;3.88,1.77,;3.88,.23,;2.55,-.54,;1.22,.23,;1.22,1.77,;2.55,2.54,;1.92,1.35,;3.03,.72,;4.41,3.21,;5.93,3.17,;6.89,4.38,)| Show InChI InChI=1S/C15H20N2O2S/c1-2-12-3-4-13(20-12)17-10-15(19-14(17)18)9-16-7-5-11(15)6-8-16/h3-4,11H,2,5-10H2,1H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7				J Med Chem 48: 2678-86 (2005) Article DOI: 10.1021/jm049188d BindingDB Entry DOI: 10.7270/Q2M0466W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50164621 ((2R)-3'-(2-naphthyl)-2'H-spiro[4-azabicyclo[2.2.2]...) Show SMILES O=C1O[C@@]2(CN1c1ccc3ccccc3c1)CN1CCC2CC1 |wU:3.2,(2.22,3.45,;1.27,2.24,;-.27,2.28,;-.8,.83,;.43,-.12,;1.71,.76,;3.25,.79,;3.98,2.12,;5.53,2.14,;6.32,.81,;7.86,.83,;8.64,-.49,;7.89,-1.83,;6.34,-1.86,;5.56,-.52,;4.03,-.55,;-.8,-.71,;-2.13,-1.48,;-3.45,-.71,;-3.45,.83,;-2.13,1.61,;-2.75,.41,;-1.65,-.22,)| Show InChI InChI=1S/C19H20N2O2/c22-18-21(17-6-5-14-3-1-2-4-15(14)11-17)13-19(23-18)12-20-9-7-16(19)8-10-20/h1-6,11,16H,7-10,12-13H2/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7				J Med Chem 48: 2678-86 (2005) Article DOI: 10.1021/jm049188d BindingDB Entry DOI: 10.7270/Q2M0466W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50149147 (2-(1-Aza-bicyclo[2.2.2]oct-3-yl)-1-benzo[b]thiophe...) Show SMILES O=C(CC1CN2CCC1CC2)c1cc2ccccc2s1 |(-.02,-.61,;-.02,.93,;-1.35,1.7,;-2.68,.93,;-2.68,-.61,;-4.01,-1.36,;-5.34,-.61,;-5.34,.93,;-4.01,1.72,;-4.64,.55,;-3.59,-.17,;1.31,1.7,;2.75,1.14,;3.72,2.33,;5.26,2.4,;5.96,3.77,;5.12,5.08,;3.58,4.99,;2.88,3.63,;1.38,3.24,)| Show InChI InChI=1S/C17H19NOS/c19-15(9-14-11-18-7-5-12(14)6-8-18)17-10-13-3-1-2-4-16(13)20-17/h1-4,10,12,14H,5-9,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7				J Med Chem 48: 2678-86 (2005) Article DOI: 10.1021/jm049188d BindingDB Entry DOI: 10.7270/Q2M0466W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50164627 ((2R)-3'-(5-isopropylthien-2-yl)-2'H-spiro[4-azabic...) Show SMILES CC(C)c1ccc(s1)N1C[C@@]2(CN3CCC2CC3)OC1=O |wU:10.20,(12.9,.48,;11.79,1.56,;12.14,3.05,;10.31,1.11,;9.78,-.33,;8.24,-.29,;7.82,1.18,;9.08,2.05,;6.38,1.7,;5.09,.82,;3.88,1.77,;3.88,.23,;2.55,-.54,;1.22,.23,;1.22,1.77,;2.55,2.54,;1.92,1.35,;3.03,.72,;4.41,3.21,;5.93,3.17,;6.89,4.38,)| Show InChI InChI=1S/C16H22N2O2S/c1-11(2)13-3-4-14(21-13)18-10-16(20-15(18)19)9-17-7-5-12(16)6-8-17/h3-4,11-12H,5-10H2,1-2H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7				J Med Chem 48: 2678-86 (2005) Article DOI: 10.1021/jm049188d BindingDB Entry DOI: 10.7270/Q2M0466W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50164622 ((2R)-3'-(1-benzothien-2-yl)-2'H-spiro[4-azabicyclo...) Show SMILES O=C1O[C@@]2(CN1c1cc3ccccc3s1)CN1CCC2CC1 |wU:3.2,(3.96,6.36,;3,5.13,;1.47,5.16,;.94,3.71,;2.16,2.78,;3.45,3.67,;4.99,3.67,;5.91,2.43,;7.36,2.92,;8.69,2.17,;10.02,2.94,;10,4.49,;8.67,5.24,;7.36,4.46,;5.88,4.93,;.94,2.17,;-.39,1.4,;.09,2.66,;-1.02,3.3,;-.39,4.49,;-1.72,3.71,;-1.72,2.17,)| Show InChI InChI=1S/C17H18N2O2S/c20-16-19(15-9-12-3-1-2-4-14(12)22-15)11-17(21-16)10-18-7-5-13(17)6-8-18/h1-4,9,13H,5-8,10-11H2/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7				J Med Chem 48: 2678-86 (2005) Article DOI: 10.1021/jm049188d BindingDB Entry DOI: 10.7270/Q2M0466W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50164612 ((2R)-3'-thien-2-yl-2'H-spiro[4-azabicyclo[2.2.2]oc...) Show SMILES O=C1O[C@@]2(CN1c1cccs1)CN1CCC2CC1 |wU:3.2,(.41,3.64,;-.55,2.43,;-2.08,2.46,;-2.61,1.01,;-1.4,.06,;-.11,.95,;1.43,.96,;1.9,-.5,;3.45,-.5,;3.93,.96,;2.68,1.87,;-2.61,-.54,;-3.95,-1.3,;-3.46,-.05,;-4.58,.6,;-3.95,1.79,;-5.28,1.01,;-5.28,-.54,)| Show InChI InChI=1S/C13H16N2O2S/c16-12-15(11-2-1-7-18-11)9-13(17-12)8-14-5-3-10(13)4-6-14/h1-2,7,10H,3-6,8-9H2/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7				J Med Chem 48: 2678-86 (2005) Article DOI: 10.1021/jm049188d BindingDB Entry DOI: 10.7270/Q2M0466W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50164619 (5-[(2R)-2'-oxo-3'H-spiro[4-azabicyclo[2.2.2]octane...) Show SMILES O=C1O[C@@]2(CN1c1ccc(s1)C#N)CN1CCC2CC1 |wU:3.2,(4.73,4.39,;3.79,3.17,;2.25,3.22,;1.71,1.77,;2.95,.82,;4.22,1.7,;5.67,1.18,;6.1,-.29,;7.65,-.34,;8.17,1.11,;6.94,2.06,;9.64,1.54,;11.13,1.98,;1.71,.23,;.38,-.55,;-.94,.23,;-.94,1.77,;.38,2.54,;-.23,1.35,;.87,.72,)| Show InChI InChI=1S/C14H15N3O2S/c15-7-11-1-2-12(20-11)17-9-14(19-13(17)18)8-16-5-3-10(14)4-6-16/h1-2,10H,3-6,8-9H2/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7				J Med Chem 48: 2678-86 (2005) Article DOI: 10.1021/jm049188d BindingDB Entry DOI: 10.7270/Q2M0466W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50164628 ((2R)-3'-[5-(1-hydroxyethyl)thien-2-yl]-2'H-spiro[4...) Show SMILES CC(O)c1ccc(s1)N1C[C@@]2(CN3CCC2CC3)OC1=O |wU:10.20,(10.76,.48,;9.64,1.56,;10.01,3.06,;8.17,1.11,;7.65,-.34,;6.1,-.29,;5.67,1.18,;6.94,2.06,;4.22,1.7,;2.95,.82,;1.71,1.77,;1.71,.23,;.38,-.55,;.87,.72,;-.23,1.35,;.38,2.54,;-.94,1.77,;-.94,.23,;2.25,3.22,;3.79,3.17,;4.73,4.39,)| Show InChI InChI=1S/C15H20N2O3S/c1-10(18)12-2-3-13(21-12)17-9-15(20-14(17)19)8-16-6-4-11(15)5-7-16/h2-3,10-11,18H,4-9H2,1H3/t10?,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	145	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7				J Med Chem 48: 2678-86 (2005) Article DOI: 10.1021/jm049188d BindingDB Entry DOI: 10.7270/Q2M0466W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50164614 ((2R)-3'-(5-acetylthien-2-yl)-2'H-spiro[4-azabicycl...) Show SMILES CC(=O)c1ccc(s1)N1C[C@@]2(CN3CCC2CC3)OC1=O |wU:10.20,(10.76,.48,;9.64,1.56,;10.01,3.06,;8.17,1.11,;7.65,-.34,;6.1,-.29,;5.67,1.18,;6.94,2.06,;4.22,1.7,;2.95,.82,;1.71,1.77,;1.71,.23,;.38,-.55,;-.94,.23,;-.94,1.77,;.38,2.54,;-.23,1.35,;.87,.72,;2.25,3.22,;3.79,3.17,;4.73,4.39,)| Show InChI InChI=1S/C15H18N2O3S/c1-10(18)12-2-3-13(21-12)17-9-15(20-14(17)19)8-16-6-4-11(15)5-7-16/h2-3,11H,4-9H2,1H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7				J Med Chem 48: 2678-86 (2005) Article DOI: 10.1021/jm049188d BindingDB Entry DOI: 10.7270/Q2M0466W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50190687 ((R)-3'-(indan-5-yl)spiro[-1-azabicyclo[2.2.2]octan...) Show SMILES O=C1O[C@]2(CN1c1ccc3CCCc3c1)CN1CCC2CC1 |wU:3.2,TLB:4:3:18.17:20.21,THB:2:3:18.17:20.21,(14.11,.37,;12.62,.78,;12.07,2.22,;10.53,2.14,;10.12,.65,;11.42,-.19,;11.49,-1.74,;10.3,-2.73,;10.57,-4.26,;12.02,-4.78,;12.59,-6.21,;14.12,-6.1,;14.5,-4.61,;13.19,-3.79,;12.93,-2.27,;10.25,3.53,;8.9,4.15,;7.43,3.5,;7.62,2.12,;9.16,2.78,;9.42,4.68,;8.97,5.79,)| Show InChI InChI=1S/C18H22N2O2/c21-17-20(16-5-4-13-2-1-3-14(13)10-16)12-18(22-17)11-19-8-6-15(18)7-9-19/h4-5,10,15H,1-3,6-9,11-12H2/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Displacement of [125I]alpha-BTX from alpha-7 nAChR in rat hippocampus membrane				J Med Chem 49: 4374-83 (2006) Article DOI: 10.1021/jm060249c BindingDB Entry DOI: 10.7270/Q2BR8T08
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50164608 ((2S)-3'-(2-naphthyl)-2'H-spiro[4-azabicyclo[2.2.2]...) Show SMILES O=C1O[C@]2(CN1c1ccc3ccccc3c1)CN1CCC2CC1 |wD:3.2,(3.77,3.1,;2.81,1.89,;1.28,1.93,;.75,.48,;1.97,-.45,;3.25,.42,;4.79,.44,;5.53,1.77,;7.07,1.8,;7.86,.47,;9.39,.48,;10.18,-.82,;9.41,-2.18,;7.87,-2.19,;7.1,-.87,;5.56,-.89,;.75,-1.06,;-.58,-1.82,;-1.91,-1.06,;-1.91,.48,;-.58,1.26,;-1.21,.07,;-.09,-.57,)| Show InChI InChI=1S/C19H20N2O2/c22-18-21(17-6-5-14-3-1-2-4-15(14)11-17)13-19(23-18)12-20-9-7-16(19)8-10-20/h1-6,11,16H,7-10,12-13H2/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	205	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7				J Med Chem 48: 2678-86 (2005) Article DOI: 10.1021/jm049188d BindingDB Entry DOI: 10.7270/Q2M0466W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50061564 ((3E)-3-[(2,4-DIMETHOXYPHENYL)METHYLIDENE]-3,4,5,6-...) Show SMILES COc1ccc(\C=C2/CCCN=C2c2cccnc2)c(OC)c1 |c:11| Show InChI InChI=1S/C19H20N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3,6-9,11-13H,4-5,10H2,1-2H3/b15-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7				J Med Chem 48: 2678-86 (2005) Article DOI: 10.1021/jm049188d BindingDB Entry DOI: 10.7270/Q2M0466W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50093255 ((+)-Spiro[1-azabicyclo[2.2.2]octane-3,5'-oxazolidi...) Show SMILES O=C1NCC2(CN3CCC2CC3)O1 |(13.73,-1.27,;14.13,.22,;13.16,1.42,;14.01,2.72,;15.5,2.31,;15.5,3.85,;16.83,4.63,;18.16,3.85,;18.16,2.31,;16.83,1.55,;16.25,2.54,;17.59,3.3,;15.58,.77,)| Show InChI InChI=1S/C9H14N2O2/c12-8-10-5-9(13-8)6-11-3-1-7(9)2-4-11/h7H,1-6H2,(H,10,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7				J Med Chem 48: 2678-86 (2005) Article DOI: 10.1021/jm049188d BindingDB Entry DOI: 10.7270/Q2M0466W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50164629 ((2R)-3'-(1-benzofuran-2-yl)-2'H-spiro[4-azabicyclo...) Show SMILES O=C1O[C@@]2(CN1c1cc3ccccc3o1)CN1CCC2CC1 |wU:3.2,(2.49,2.31,;1.55,1.09,;.01,1.14,;-.53,-.31,;.7,-1.26,;1.98,-.38,;3.52,-.36,;4.44,-1.6,;5.89,-1.12,;7.24,-1.88,;8.57,-1.09,;8.55,.45,;7.21,1.19,;5.89,.41,;4.43,.88,;-.53,-1.86,;-1.87,-2.63,;-1.37,-1.37,;-2.48,-.73,;-1.87,.46,;-3.19,-.31,;-3.19,-1.86,)| Show InChI InChI=1S/C17H18N2O3/c20-16-19(15-9-12-3-1-2-4-14(12)21-15)11-17(22-16)10-18-7-5-13(17)6-8-18/h1-4,9,13H,5-8,10-11H2/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7				J Med Chem 48: 2678-86 (2005) Article DOI: 10.1021/jm049188d BindingDB Entry DOI: 10.7270/Q2M0466W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50164615 ((2R)-3'-(1,3-benzothiazol-2-yl)-2'H-spiro[4-azabic...) Show SMILES O=C1O[C@@]2(CN1c1nc3ccccc3s1)CN1CCC2CC1 |wU:3.2,(3.13,3.83,;2.18,2.61,;.64,2.65,;.12,1.21,;1.34,.27,;2.61,1.14,;4.14,1.16,;5.05,-.08,;6.51,.41,;7.85,-.35,;9.18,.44,;9.16,1.98,;7.83,2.72,;6.5,1.94,;5.05,2.4,;.12,-.33,;-1.21,-1.1,;-.74,.16,;-1.84,.79,;-1.21,1.98,;-2.54,1.21,;-2.54,-.33,)| Show InChI InChI=1S/C16H17N3O2S/c20-15-19(14-17-12-3-1-2-4-13(12)22-14)10-16(21-15)9-18-7-5-11(16)6-8-18/h1-4,11H,5-10H2/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7				J Med Chem 48: 2678-86 (2005) Article DOI: 10.1021/jm049188d BindingDB Entry DOI: 10.7270/Q2M0466W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50164624 ((2R)-3'-quinolin-2-yl-2'H-spiro[4-azabicyclo[2.2.2...) Show SMILES O=C1O[C@@]2(CN1c1ccc3ccccc3n1)CN1CCC2CC1 |wU:3.2,(4.74,1.79,;3.8,.58,;2.27,.61,;1.73,-.84,;2.96,-1.78,;4.23,-.89,;5.77,-.89,;6.52,.46,;8.06,.48,;8.85,-.85,;10.37,-.84,;11.16,-2.15,;10.41,-3.5,;8.87,-3.51,;8.08,-2.19,;6.56,-2.22,;1.73,-2.38,;.4,-3.13,;-.91,-2.38,;-.91,-.84,;.4,-.05,;-.21,-1.24,;.89,-1.89,)| Show InChI InChI=1S/C18H19N3O2/c22-17-21(16-6-5-13-3-1-2-4-15(13)19-16)12-18(23-17)11-20-9-7-14(18)8-10-20/h1-6,14H,7-12H2/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7				J Med Chem 48: 2678-86 (2005) Article DOI: 10.1021/jm049188d BindingDB Entry DOI: 10.7270/Q2M0466W
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Mus musculus)	BDBM50170831 (CHEMBL188343 | N*6*-Cyclohexyl-N*2*-(4-morpholin-4...) Show SMILES C1CCC(CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12 Show InChI InChI=1S/C21H27N7O/c1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of MEK1 in mouse C2C12 by ERK2 phosphorylation assay				Proc Natl Acad Sci U S A 104: 10482-7 (2007) Article DOI: 10.1073/pnas.0704360104 BindingDB Entry DOI: 10.7270/Q2QR4WX3
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50190684 ((R)-3'-(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazo...) Show SMILES Cn1c2ccc(cc2sc1=O)N1C[C@]2(CN3CCC2CC3)OC1=O |wU:13.24,TLB:12:13:17.16:19.20,THB:21:13:17.16:19.20,(22.74,-23.72,;23.45,-22.36,;22.77,-20.99,;21.29,-20.58,;20.91,-19.1,;22,-18.02,;23.48,-18.43,;23.87,-19.91,;25.23,-20.62,;24.98,-22.14,;26.05,-23.24,;21.9,-16.11,;20.31,-15.06,;20.8,-13.22,;20.46,-11.49,;18.78,-10.73,;16.96,-11.53,;17.2,-13.25,;19.11,-12.43,;19.42,-10.07,;18.87,-8.7,;22.71,-13.12,;23.39,-14.91,;25.24,-15.4,)| Show InChI InChI=1S/C17H19N3O3S/c1-18-13-3-2-12(8-14(13)24-16(18)22)20-10-17(23-15(20)21)9-19-6-4-11(17)5-7-19/h2-3,8,11H,4-7,9-10H2,1H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Displacement of [125I]alpha-BTX from alpha-7 nAChR in rat hippocampus membrane				J Med Chem 49: 4374-83 (2006) Article DOI: 10.1021/jm060249c BindingDB Entry DOI: 10.7270/Q2BR8T08
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50164625 ((2R)-3'-(4,5-dimethylthien-2-yl)-2'H-spiro[4-azabi...) Show SMILES Cc1cc(sc1C)N1C[C@@]2(CN3CCC2CC3)OC1=O |wU:9.19,(10.66,-1.61,;9.78,-.33,;8.24,-.29,;7.82,1.18,;9.08,2.05,;10.31,1.11,;11.79,1.56,;6.38,1.7,;5.09,.82,;3.88,1.77,;3.88,.23,;2.55,-.54,;1.22,.23,;1.22,1.77,;2.55,2.54,;1.92,1.35,;3.03,.72,;4.41,3.21,;5.93,3.17,;6.89,4.38,)| Show InChI InChI=1S/C15H20N2O2S/c1-10-7-13(20-11(10)2)17-9-15(19-14(17)18)8-16-5-3-12(15)4-6-16/h7,12H,3-6,8-9H2,1-2H3/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7				J Med Chem 48: 2678-86 (2005) Article DOI: 10.1021/jm049188d BindingDB Entry DOI: 10.7270/Q2M0466W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50164623 ((2R)-3'-(3-methylthien-2-yl)-2'H-spiro[4-azabicycl...) Show SMILES Cc1ccsc1N1C[C@@]2(CN3CCC2CC3)OC1=O |wU:8.18,(7.31,-1.52,;8.24,-.29,;9.78,-.33,;10.31,1.11,;9.08,2.05,;7.82,1.18,;6.38,1.7,;5.09,.82,;3.88,1.77,;3.88,.23,;2.55,-.54,;1.22,.23,;1.22,1.77,;2.55,2.54,;1.92,1.35,;3.03,.72,;4.41,3.21,;5.93,3.17,;6.89,4.38,)| Show InChI InChI=1S/C14H18N2O2S/c1-10-4-7-19-12(10)16-9-14(18-13(16)17)8-15-5-2-11(14)3-6-15/h4,7,11H,2-3,5-6,8-9H2,1H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7				J Med Chem 48: 2678-86 (2005) Article DOI: 10.1021/jm049188d BindingDB Entry DOI: 10.7270/Q2M0466W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50164620 ((2R)-3'-(4-methylthien-2-yl)-2'H-spiro[4-azabicycl...) Show SMILES Cc1csc(c1)N1C[C@@]2(CN3CCC2CC3)OC1=O |wU:8.18,(10.66,-1.61,;9.78,-.33,;10.31,1.11,;9.08,2.05,;7.82,1.18,;8.24,-.29,;6.38,1.7,;5.09,.82,;3.88,1.77,;3.88,.23,;2.55,-.54,;1.22,.23,;1.22,1.77,;2.55,2.54,;1.92,1.35,;3.03,.72,;4.41,3.21,;5.93,3.17,;6.89,4.38,)| Show InChI InChI=1S/C14H18N2O2S/c1-10-6-12(19-7-10)16-9-14(18-13(16)17)8-15-4-2-11(14)3-5-15/h6-7,11H,2-5,8-9H2,1H3/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7				J Med Chem 48: 2678-86 (2005) Article DOI: 10.1021/jm049188d BindingDB Entry DOI: 10.7270/Q2M0466W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50164617 ((2R)-3'-pyridin-2-yl-2'H-spiro[4-azabicyclo[2.2.2]...) Show SMILES O=C1O[C@@]2(CN1c1ccccn1)CN1CCC2CC1 |wU:3.2,(3.94,7.11,;3,5.89,;1.46,5.94,;.92,4.49,;2.15,3.55,;3.42,4.41,;4.97,4.44,;5.76,3.1,;7.29,3.13,;8.05,4.49,;7.25,5.8,;5.72,5.77,;.92,2.94,;-.41,2.17,;-1.73,2.94,;-1.73,4.49,;-.41,5.26,;-1.03,4.06,;.08,3.43,)| Show InChI InChI=1S/C14H17N3O2/c18-13-17(12-3-1-2-6-15-12)10-14(19-13)9-16-7-4-11(14)5-8-16/h1-3,6,11H,4-5,7-10H2/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7				J Med Chem 48: 2678-86 (2005) Article DOI: 10.1021/jm049188d BindingDB Entry DOI: 10.7270/Q2M0466W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50164616 ((2R)-3'-(1,3-benzoxazol-2-yl)-2'H-spiro[4-azabicyc...) Show SMILES O=C1O[C@@]2(CN1c1nc3ccccc3o1)CN1CCC2CC1 |wU:3.2,(-.49,4.36,;-1.44,3.15,;-2.98,3.18,;-3.5,1.73,;-2.28,.79,;-1,1.67,;.52,1.68,;1.43,.44,;2.9,.93,;4.24,.18,;5.57,.96,;5.55,2.49,;4.21,3.24,;2.88,2.47,;1.43,2.94,;-3.5,.19,;-4.84,-.57,;-4.36,.68,;-5.46,1.32,;-4.84,2.52,;-6.16,1.73,;-6.16,.19,)| Show InChI InChI=1S/C16H17N3O3/c20-15-19(14-17-12-3-1-2-4-13(12)21-14)10-16(22-15)9-18-7-5-11(16)6-8-18/h1-4,11H,5-10H2/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7				J Med Chem 48: 2678-86 (2005) Article DOI: 10.1021/jm049188d BindingDB Entry DOI: 10.7270/Q2M0466W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50164610 ((2S)-3'-(1-benzothien-2-yl)-2'H-spiro[4-azabicyclo...) Show SMILES O=C1O[C@]2(CN1c1cc3ccccc3s1)CN1CCC2CC1 |wD:3.2,(2.14,5.7,;1.18,4.49,;-.35,4.52,;-.88,3.07,;.34,2.12,;1.62,3.01,;3.17,3.02,;4.08,1.78,;5.53,2.27,;6.86,1.51,;8.2,2.29,;8.17,3.84,;6.84,4.6,;5.53,3.81,;4.06,4.27,;-.88,1.52,;-2.22,.76,;-1.73,2.01,;-2.85,2.66,;-2.22,3.85,;-3.55,3.07,;-3.55,1.52,)| Show InChI InChI=1S/C17H18N2O2S/c20-16-19(15-9-12-3-1-2-4-14(12)22-15)11-17(21-16)10-18-7-5-13(17)6-8-18/h1-4,9,13H,5-8,10-11H2/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7				J Med Chem 48: 2678-86 (2005) Article DOI: 10.1021/jm049188d BindingDB Entry DOI: 10.7270/Q2M0466W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50164609 (3'-phenyl-2'H-spiro[4-azabicyclo[2.2.2]octane-2,5'...) Show SMILES O=C1OC2(CN1c1ccccc1)CN1CCC2CC1 |(.4,3.63,;-.55,2.42,;-2.08,2.45,;-2.61,1,;-1.39,.06,;-.11,.95,;1.42,.96,;2.17,2.3,;3.7,2.33,;4.49,1,;3.74,-.33,;2.2,-.36,;-2.61,-.54,;-3.94,-1.29,;-3.46,-.05,;-4.57,.6,;-3.94,1.79,;-5.27,1,;-5.27,-.54,)| Show InChI InChI=1S/C15H18N2O2/c18-14-17(13-4-2-1-3-5-13)11-15(19-14)10-16-8-6-12(15)7-9-16/h1-5,12H,6-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7				J Med Chem 48: 2678-86 (2005) Article DOI: 10.1021/jm049188d BindingDB Entry DOI: 10.7270/Q2M0466W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50164626 ((2R)-3'-thien-3-yl-2'H-spiro[4-azabicyclo[2.2.2]oc...) Show SMILES O=C1O[C@@]2(CN1c1ccsc1)CN1CCC2CC1 |wU:3.2,(6.14,3.83,;5.19,2.61,;3.66,2.65,;3.13,1.21,;4.35,.27,;5.63,1.14,;7.16,1.16,;7.64,-.29,;9.18,-.29,;9.66,1.16,;8.41,2.07,;3.13,-.33,;1.8,-1.1,;2.29,.16,;1.17,.79,;1.8,1.98,;.47,1.21,;.47,-.33,)| Show InChI InChI=1S/C13H16N2O2S/c16-12-15(11-3-6-18-7-11)9-13(17-12)8-14-4-1-10(13)2-5-14/h3,6-7,10H,1-2,4-5,8-9H2/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of [125I]alpha-bungarotoxin binding to rat nicotinic acetylcholine receptor alpha7				J Med Chem 48: 2678-86 (2005) Article DOI: 10.1021/jm049188d BindingDB Entry DOI: 10.7270/Q2M0466W
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50190698 ((R)-3'-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-...) Show SMILES Cn1c2ccc(cc2oc1=O)N1C[C@]2(CN3CCC2CC3)OC1=O |wU:13.24,TLB:12:13:17.16:19.20,THB:21:13:17.16:19.20,(13.44,-22.67,;14.15,-21.31,;13.47,-19.94,;11.99,-19.53,;11.61,-18.05,;12.7,-16.97,;14.18,-17.38,;14.57,-18.86,;15.93,-19.57,;15.67,-21.09,;16.75,-22.18,;12.6,-15.05,;11.01,-14.01,;11.5,-12.17,;11.16,-10.43,;9.48,-9.68,;7.66,-10.48,;7.9,-12.2,;9.81,-11.38,;10.12,-9.02,;9.57,-7.65,;13.4,-12.07,;14.09,-13.86,;15.94,-14.35,)| Show InChI InChI=1S/C17H19N3O4/c1-18-13-3-2-12(8-14(13)23-15(18)21)20-10-17(24-16(20)22)9-19-6-4-11(17)5-7-19/h2-3,8,11H,4-7,9-10H2,1H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Displacement of [125I]alpha-BTX from alpha-7 nAChR in rat hippocampus membrane				J Med Chem 49: 4374-83 (2006) Article DOI: 10.1021/jm060249c BindingDB Entry DOI: 10.7270/Q2BR8T08
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50190695 ((R)-3'-(quinolin-6-yl)spiro[1-azabicyclo[2.2.2]oct...) Show SMILES O=C1O[C@]2(CN1c1ccc3ncccc3c1)CN1CCC2CC1 |wU:3.2,TLB:4:3:19.18:21.22,THB:2:3:19.18:21.22,(23.22,.49,;21.73,.89,;21.19,2.32,;19.65,2.25,;19.24,.76,;20.53,-.08,;20.6,-1.62,;19.42,-2.61,;19.69,-4.13,;21.14,-4.66,;21.41,-6.18,;22.86,-6.69,;24.04,-5.68,;23.75,-4.17,;22.31,-3.66,;22.04,-2.16,;19.36,3.65,;18.02,4.25,;16.55,3.61,;16.74,2.23,;18.28,2.89,;18.54,4.78,;18.09,5.89,)| Show InChI InChI=1S/C18H19N3O2/c22-17-21(15-3-4-16-13(10-15)2-1-7-19-16)12-18(23-17)11-20-8-5-14(18)6-9-20/h1-4,7,10,14H,5-6,8-9,11-12H2/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Displacement of [125I]alpha-BTX from alpha-7 nAChR in rat hippocampus membrane				J Med Chem 49: 4374-83 (2006) Article DOI: 10.1021/jm060249c BindingDB Entry DOI: 10.7270/Q2BR8T08
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50164618 ((2R)-3'-(5-chlorothien-2-yl)-2'H-spiro[4-azabicycl...) Show SMILES Clc1ccc(s1)N1C[C@@]2(CN3CCC2CC3)OC1=O |wU:8.18,(9.64,1.56,;8.17,1.11,;7.65,-.34,;6.1,-.29,;5.67,1.18,;6.94,2.06,;4.22,1.7,;2.95,.82,;1.71,1.77,;1.71,.23,;.38,-.55,;-.94,.23,;-.94,1.77,;.38,2.54,;-.23,1.35,;.87,.72,;2.25,3.22,;3.79,3.17,;4.73,4.39,)| Show InChI InChI=1S/C13H15ClN2O2S/c14-10-1-2-11(19-10)16-8-13(18-12(16)17)7-15-5-3-9(13)4-6-15/h1-2,9H,3-8H2/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 49: 4374-83 (2006) Article DOI: 10.1021/jm060249c BindingDB Entry DOI: 10.7270/Q2BR8T08
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50190696 ((2S)-3'-(5-bromothien-2-yl)-2'H-spiro[4-azabicyclo...) Show SMILES Brc1ccc(s1)N1C[C@]2(CN3CCC2CC3)OC1=O |wU:8.18,TLB:7:8:12.11:14.15,THB:16:8:12.11:14.15,(5.67,-5.62,;4.7,-4.42,;3.16,-4.5,;2.61,-3.06,;3.81,-2.09,;5.1,-2.93,;3.74,-.55,;2.45,.29,;2.85,1.77,;2.57,3.17,;1.22,3.79,;-.25,3.14,;-.05,1.76,;1.49,2.42,;1.74,4.32,;1.29,5.43,;4.39,1.85,;4.93,.41,;6.42,.01,)| Show InChI InChI=1S/C13H15BrN2O2S/c14-10-1-2-11(19-10)16-8-13(18-12(16)17)7-15-5-3-9(13)4-6-15/h1-2,9H,3-8H2/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 49: 4374-83 (2006) Article DOI: 10.1021/jm060249c BindingDB Entry DOI: 10.7270/Q2BR8T08
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50410988 (CHEMBL2113241) Show SMILES Cc1coc2ccc(cc12)N1C[C@@]2(CN3CCC2CC3)OC1=O |wD:12.23,TLB:11:12:16.15:18.19,THB:20:12:16.15:18.19,(.43,-18.09,;-1,-18.66,;-1.37,-20.16,;-2.9,-20.26,;-3.47,-18.83,;-4.92,-18.31,;-5.19,-16.79,;-4.01,-15.79,;-2.56,-16.32,;-2.3,-17.84,;-4.08,-14.25,;-5.37,-13.4,;-4.96,-11.92,;-5.24,-10.52,;-6.59,-9.91,;-8.06,-10.56,;-7.87,-11.94,;-6.33,-11.28,;-6.07,-9.38,;-6.52,-8.27,;-3.42,-11.84,;-2.88,-13.28,;-1.39,-13.69,)| Show InChI InChI=1S/C18H20N2O3/c1-12-9-22-16-3-2-14(8-15(12)16)20-11-18(23-17(20)21)10-19-6-4-13(18)5-7-19/h2-3,8-9,13H,4-7,10-11H2,1H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Binding affinity to histamine H1 receptor				J Med Chem 49: 4374-83 (2006) Article DOI: 10.1021/jm060249c BindingDB Entry DOI: 10.7270/Q2BR8T08
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50410986 (CHEMBL2113242) Show SMILES CCc1coc2ccc(cc12)N1C[C@@]2(CN3CCC2CC3)OC1=O |wD:13.24,TLB:12:13:17.16:19.20,THB:21:13:17.16:19.20,(10.66,-18.73,;9.45,-17.78,;8.03,-18.36,;7.65,-19.86,;6.12,-19.96,;5.55,-18.53,;4.1,-18.01,;3.83,-16.49,;5.02,-15.49,;6.46,-16.02,;6.72,-17.54,;4.95,-13.94,;3.65,-13.1,;4.06,-11.61,;3.78,-10.21,;2.43,-9.6,;.96,-10.25,;1.15,-11.63,;2.69,-10.97,;2.95,-9.07,;2.5,-7.96,;5.6,-11.53,;6.15,-12.97,;7.64,-13.38,)| Show InChI InChI=1S/C19H22N2O3/c1-2-13-10-23-17-4-3-15(9-16(13)17)21-12-19(24-18(21)22)11-20-7-5-14(19)6-8-20/h3-4,9-10,14H,2,5-8,11-12H2,1H3/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 49: 4374-83 (2006) Article DOI: 10.1021/jm060249c BindingDB Entry DOI: 10.7270/Q2BR8T08
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50410987 (CHEMBL2113238) Show SMILES Cc1cc2cc(ccc2s1)N1C[C@@]2(CN3CCC2CC3)OC1=O |wD:12.23,TLB:11:12:16.15:18.19,THB:20:12:16.15:18.19,(10.06,-7.73,;9.07,-6.55,;9.45,-5.05,;8.14,-4.23,;7.88,-2.71,;6.44,-2.18,;5.26,-3.18,;5.52,-4.7,;6.97,-5.22,;7.54,-6.65,;6.37,-.64,;5.08,.2,;5.49,1.69,;5.21,3.09,;3.85,3.7,;2.38,3.05,;2.58,1.67,;4.12,2.33,;4.37,4.23,;3.93,5.34,;7.02,1.77,;7.57,.33,;9.06,-.08,)| Show InChI InChI=1S/C18H20N2O2S/c1-12-8-13-9-15(2-3-16(13)23-12)20-11-18(22-17(20)21)10-19-6-4-14(18)5-7-19/h2-3,8-9,14H,4-7,10-11H2,1H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 49: 4374-83 (2006) Article DOI: 10.1021/jm060249c BindingDB Entry DOI: 10.7270/Q2BR8T08
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50190677 ((R)-3'-(3-bromobenzo[b]thiophen-5-yl)spiro[1-azabi...) Show SMILES Brc1coc2ccc(cc12)N1C[C@]2(CN3CCC2CC3)OC1=O |wU:12.23,TLB:11:12:16.15:18.19,THB:20:12:16.15:18.19,(18.37,-17.66,;16.95,-18.23,;16.58,-19.73,;15.04,-19.83,;14.48,-18.4,;13.03,-17.88,;12.76,-16.36,;13.94,-15.36,;15.38,-15.89,;15.65,-17.41,;13.87,-13.82,;12.58,-12.98,;12.99,-11.49,;12.71,-10.09,;11.36,-9.48,;9.89,-10.13,;10.08,-11.51,;11.62,-10.85,;11.87,-8.95,;11.43,-7.84,;14.52,-11.41,;15.07,-12.85,;16.56,-13.26,)| Show InChI InChI=1S/C17H17BrN2O3/c18-14-8-22-15-2-1-12(7-13(14)15)20-10-17(23-16(20)21)9-19-5-3-11(17)4-6-19/h1-2,7-8,11H,3-6,9-10H2/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 49: 4374-83 (2006) Article DOI: 10.1021/jm060249c BindingDB Entry DOI: 10.7270/Q2BR8T08
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50190686 ((R)-3'-(2,3-dimethylbenzo[b]thiophen-5-yl)spiro[1-...) Show SMILES Cc1oc2ccc(cc2c1C)N1C[C@]2(CN3CCC2CC3)OC1=O |wU:13.24,TLB:12:13:17.16:19.20,THB:21:13:17.16:19.20,(27.52,-20.9,;26.53,-19.72,;25,-19.82,;24.43,-18.39,;22.98,-17.87,;22.71,-16.35,;23.89,-15.35,;25.34,-15.88,;25.6,-17.4,;26.9,-18.22,;28.33,-17.65,;23.82,-13.81,;22.53,-12.96,;22.94,-11.47,;22.66,-10.07,;21.3,-9.46,;19.83,-10.11,;20.03,-11.49,;21.57,-10.83,;21.82,-8.93,;21.38,-7.82,;24.48,-11.4,;25.02,-12.84,;26.52,-13.24,)| Show InChI InChI=1S/C19H22N2O3/c1-12-13(2)23-17-4-3-15(9-16(12)17)21-11-19(24-18(21)22)10-20-7-5-14(19)6-8-20/h3-4,9,14H,5-8,10-11H2,1-2H3/t19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 49: 4374-83 (2006) Article DOI: 10.1021/jm060249c BindingDB Entry DOI: 10.7270/Q2BR8T08
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50410992 (CHEMBL2113239) Show SMILES CCc1cc2cc(ccc2s1)N1C[C@@]2(CN3CCC2CC3)OC1=O |wD:13.24,TLB:12:13:17.16:19.20,THB:21:13:17.16:19.20,(18.71,-8.85,;19.24,-7.41,;18.25,-6.23,;18.63,-4.73,;17.32,-3.91,;17.06,-2.39,;15.62,-1.86,;14.44,-2.86,;14.7,-4.38,;16.15,-4.9,;16.72,-6.33,;15.55,-.32,;14.26,.53,;14.66,2.02,;14.38,3.42,;13.03,4.03,;11.56,3.38,;11.75,2,;13.29,2.66,;13.55,4.56,;13.1,5.67,;16.2,2.09,;16.75,.65,;18.24,.25,)| Show InChI InChI=1S/C19H22N2O2S/c1-2-16-10-13-9-15(3-4-17(13)24-16)21-12-19(23-18(21)22)11-20-7-5-14(19)6-8-20/h3-4,9-10,14H,2,5-8,11-12H2,1H3/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 49: 4374-83 (2006) Article DOI: 10.1021/jm060249c BindingDB Entry DOI: 10.7270/Q2BR8T08
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50410989 (CHEMBL2113233) Show SMILES Cc1cc2cc(ccc2o1)N1C[C@@]2(CN3CCC2CC3)OC1=O |wD:12.23,TLB:11:12:16.15:18.19,THB:20:12:16.15:18.19,(.16,-7.7,;-.83,-6.52,;-.46,-5.02,;-1.76,-4.2,;-2.02,-2.69,;-3.46,-2.15,;-4.64,-3.15,;-4.38,-4.67,;-2.93,-5.19,;-2.36,-6.62,;-3.53,-.61,;-4.82,.23,;-4.42,1.72,;-4.69,3.12,;-6.05,3.73,;-7.52,3.08,;-7.32,1.7,;-5.78,2.36,;-5.53,4.26,;-5.98,5.37,;-2.88,1.79,;-2.33,.36,;-.84,-.05,)| Show InChI InChI=1S/C18H20N2O3/c1-12-8-13-9-15(2-3-16(13)22-12)20-11-18(23-17(20)21)10-19-6-4-14(18)5-7-19/h2-3,8-9,14H,4-7,10-11H2,1H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 49: 4374-83 (2006) Article DOI: 10.1021/jm060249c BindingDB Entry DOI: 10.7270/Q2BR8T08
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50410990 (CHEMBL2113228) Show SMILES O=C1O[C@@]2(CN1c1ccc3occc3c1)CN1CCC2CC1 |wD:3.2,TLB:4:3:18.17:20.21,THB:2:3:18.17:20.21,(-.73,-30.98,;-2.58,-30.49,;-3.26,-28.7,;-5.17,-28.8,;-5.66,-30.64,;-4.07,-31.68,;-3.97,-33.6,;-5.06,-34.68,;-4.67,-36.16,;-3.2,-36.57,;-2.51,-37.94,;-.99,-37.71,;-.74,-36.2,;-2.1,-35.49,;-2.49,-34,;-5.51,-27.06,;-7.19,-26.31,;-9.01,-27.1,;-8.77,-28.82,;-6.86,-28.01,;-6.55,-25.65,;-7.1,-24.27,)| Show InChI InChI=1S/C17H18N2O3/c20-16-19(14-1-2-15-12(9-14)5-8-21-15)11-17(22-16)10-18-6-3-13(17)4-7-18/h1-2,5,8-9,13H,3-4,6-7,10-11H2/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 49: 4374-83 (2006) Article DOI: 10.1021/jm060249c BindingDB Entry DOI: 10.7270/Q2BR8T08
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50410991 (CHEMBL2113236) Show SMILES O=C1O[C@@]2(CN1c1ccc3OCOc3c1)CN1CCC2CC1 |wD:3.2,TLB:4:3:18.17:20.21,THB:2:3:18.17:20.21,(-2.59,-11.98,;-4.08,-11.58,;-4.63,-10.14,;-6.16,-10.21,;-6.57,-11.7,;-5.28,-12.54,;-5.21,-14.09,;-6.39,-15.08,;-6.13,-16.61,;-4.68,-17.13,;-4.11,-18.56,;-2.58,-18.45,;-2.2,-16.96,;-3.5,-16.14,;-3.77,-14.62,;-6.44,-8.81,;-7.8,-8.21,;-9.26,-8.85,;-9.07,-10.23,;-7.53,-9.58,;-7.28,-7.68,;-7.72,-6.57,)| Show InChI InChI=1S/C16H18N2O4/c19-15-18(12-1-2-13-14(7-12)21-10-20-13)9-16(22-15)8-17-5-3-11(16)4-6-17/h1-2,7,11H,3-6,8-10H2/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 49: 4374-83 (2006) Article DOI: 10.1021/jm060249c BindingDB Entry DOI: 10.7270/Q2BR8T08
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50393256 (CHEMBL2113232) Show SMILES O=C1O[C@@]2(CN1c1ccc3sccc3c1)CN1CCC2CC1 |wD:3.2,TLB:4:3:18.17:20.21,THB:2:3:18.17:20.21,(3.94,-45.51,;2.1,-45.02,;1.41,-43.23,;-.5,-43.33,;-.99,-45.17,;.61,-46.21,;.7,-48.13,;-.38,-49.21,;0,-50.69,;1.48,-51.1,;2.16,-52.47,;3.68,-52.25,;3.93,-50.73,;2.57,-50.02,;2.19,-48.54,;-.83,-41.59,;-2.52,-40.84,;-4.34,-41.64,;-4.09,-43.36,;-2.18,-42.54,;-1.87,-40.18,;-2.43,-38.81,)| Show InChI InChI=1S/C17H18N2O2S/c20-16-19(14-1-2-15-12(9-14)5-8-22-15)11-17(21-16)10-18-6-3-13(17)4-7-18/h1-2,5,8-9,13H,3-4,6-7,10-11H2/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 49: 4374-83 (2006) Article DOI: 10.1021/jm060249c BindingDB Entry DOI: 10.7270/Q2BR8T08
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50410988 (CHEMBL2113241) Show SMILES Cc1coc2ccc(cc12)N1C[C@@]2(CN3CCC2CC3)OC1=O |wD:12.23,TLB:11:12:16.15:18.19,THB:20:12:16.15:18.19,(.43,-18.09,;-1,-18.66,;-1.37,-20.16,;-2.9,-20.26,;-3.47,-18.83,;-4.92,-18.31,;-5.19,-16.79,;-4.01,-15.79,;-2.56,-16.32,;-2.3,-17.84,;-4.08,-14.25,;-5.37,-13.4,;-4.96,-11.92,;-5.24,-10.52,;-6.59,-9.91,;-8.06,-10.56,;-7.87,-11.94,;-6.33,-11.28,;-6.07,-9.38,;-6.52,-8.27,;-3.42,-11.84,;-2.88,-13.28,;-1.39,-13.69,)| Show InChI InChI=1S/C18H20N2O3/c1-12-9-22-16-3-2-14(8-15(12)16)20-11-18(23-17(20)21)10-19-6-4-13(18)5-7-19/h2-3,8-9,13H,4-7,10-11H2,1H3/t18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 49: 4374-83 (2006) Article DOI: 10.1021/jm060249c BindingDB Entry DOI: 10.7270/Q2BR8T08
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50410993 (CHEMBL2113240) Show SMILES Clc1cc2cc(ccc2s1)N1C[C@@]2(CN3CCC2CC3)OC1=O |wD:12.23,TLB:11:12:16.15:18.19,THB:20:12:16.15:18.19,(29.93,-7.71,;28.94,-6.53,;29.32,-5.03,;28.02,-4.21,;27.75,-2.69,;26.31,-2.16,;25.13,-3.16,;25.39,-4.68,;26.84,-5.2,;27.41,-6.63,;26.24,-.62,;24.95,.22,;25.36,1.71,;25.08,3.11,;23.72,3.72,;22.26,3.07,;22.45,1.69,;23.99,2.35,;24.24,4.25,;23.8,5.36,;26.89,1.79,;27.44,.35,;28.93,-.06,)| Show InChI InChI=1S/C17H17ClN2O2S/c18-15-8-11-7-13(1-2-14(11)23-15)20-10-17(22-16(20)21)9-19-5-3-12(17)4-6-19/h1-2,7-8,12H,3-6,9-10H2/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2D6				J Med Chem 49: 4374-83 (2006) Article DOI: 10.1021/jm060249c BindingDB Entry DOI: 10.7270/Q2BR8T08
					More data for this Ligand-Target Pair
ADP-ribosylation factor 1 (Homo sapiens (Human))	BDBM50373058 (CHEMBL259181) Show SMILES OC[C@H](Cc1ccccc1)Nc1nc(Oc2ccc3CCCc3c2)nc2n(Cc3ccc(cc3)-c3ccccc3)cnc12 Show InChI InChI=1S/C36H33N5O2/c42-23-31(20-25-8-3-1-4-9-25)38-34-33-35(40-36(39-34)43-32-19-18-28-12-7-13-30(28)21-32)41(24-37-33)22-26-14-16-29(17-15-26)27-10-5-2-6-11-27/h1-6,8-11,14-19,21,24,31,42H,7,12-13,20,22-23H2,(H,38,39,40)/t31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Binding affinity to ADP-ribosylation factor 1 expressed HEK293 cells by surface plasmon resonance analysis				Proc Natl Acad Sci USA 104: 7444-8 (2007) Article DOI: 10.1073/pnas.0702136104 BindingDB Entry DOI: 10.7270/Q2SJ1MGC
					More data for this Ligand-Target Pair