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Compile Data Set for Download or QSAR

Found 50 hits with Last Name = 'takanashi' and Initial = 's'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50190686
PNG
((R)-3'-(2,3-dimethylbenzo[b]thiophen-5-yl)spiro[1-...)
Show SMILES Cc1oc2ccc(cc2c1C)N1C[C@]2(CN3CCC2CC3)OC1=O
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
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4n/an/an/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50190677
PNG
((R)-3'-(3-bromobenzo[b]thiophen-5-yl)spiro[1-azabi...)
Show SMILES Brc1coc2ccc(cc12)N1C[C@]2(CN3CCC2CC3)OC1=O
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
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4n/an/an/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50164606
PNG
((2R)-3'-(5-bromothien-2-yl)-2'H-spiro[4-azabicyclo...)
Show SMILES Brc1ccc(s1)N1C[C@@]2(CN3CCC2CC3)OC1=O
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
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4n/an/an/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50190696
PNG
((2S)-3'-(5-bromothien-2-yl)-2'H-spiro[4-azabicyclo...)
Show SMILES Brc1ccc(s1)N1C[C@]2(CN3CCC2CC3)OC1=O
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
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4n/an/an/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50164618
PNG
((2R)-3'-(5-chlorothien-2-yl)-2'H-spiro[4-azabicycl...)
Show SMILES Clc1ccc(s1)N1C[C@@]2(CN3CCC2CC3)OC1=O
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
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9n/an/an/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50164607
PNG
((2R)-3'-(5-methylthien-2-yl)-2'H-spiro[4-azabicycl...)
Show SMILES Cc1ccc(s1)N1C[C@@]2(CN3CCC2CC3)OC1=O
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
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12n/an/an/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50149146
PNG
((S)-3-(Benzo[b]thiophen-2-ylmethoxy)-1-aza-bicyclo...)
Show SMILES C(O[C@@H]1CN2CCC1CC2)c1cc2ccccc2s1
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
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13n/an/an/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50164611
PNG
((2R)-3'-(5-ethylthien-2-yl)-2'H-spiro[4-azabicyclo...)
Show SMILES CCc1ccc(s1)N1C[C@@]2(CN3CCC2CC3)OC1=O
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
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21n/an/an/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50164621
PNG
((2R)-3'-(2-naphthyl)-2'H-spiro[4-azabicyclo[2.2.2]...)
Show SMILES O=C1O[C@@]2(CN1c1ccc3ccccc3c1)CN1CCC2CC1
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
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31n/an/an/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50149147
PNG
(2-(1-Aza-bicyclo[2.2.2]oct-3-yl)-1-benzo[b]thiophe...)
Show SMILES O=C(CC1CN2CCC1CC2)c1cc2ccccc2s1
Show InChI InChI=1/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
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65n/an/an/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50164627
PNG
((2R)-3'-(5-isopropylthien-2-yl)-2'H-spiro[4-azabic...)
Show SMILES CC(C)c1ccc(s1)N1C[C@@]2(CN3CCC2CC3)OC1=O
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
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65n/an/an/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50164622
PNG
((2R)-3'-(1-benzothien-2-yl)-2'H-spiro[4-azabicyclo...)
Show SMILES O=C1O[C@@]2(CN1c1cc3ccccc3s1)CN1CCC2CC1
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
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75n/an/an/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50164612
PNG
((2R)-3'-thien-2-yl-2'H-spiro[4-azabicyclo[2.2.2]oc...)
Show SMILES O=C1O[C@@]2(CN1c1cccs1)CN1CCC2CC1
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
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80n/an/an/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50164619
PNG
(5-[(2R)-2'-oxo-3'H-spiro[4-azabicyclo[2.2.2]octane...)
Show SMILES O=C1O[C@@]2(CN1c1ccc(s1)C#N)CN1CCC2CC1
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
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85n/an/an/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50164628
PNG
((2R)-3'-[5-(1-hydroxyethyl)thien-2-yl]-2'H-spiro[4...)
Show SMILES CC(O)c1ccc(s1)N1C[C@@]2(CN3CCC2CC3)OC1=O
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
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145n/an/an/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50164614
PNG
((2R)-3'-(5-acetylthien-2-yl)-2'H-spiro[4-azabicycl...)
Show SMILES CC(=O)c1ccc(s1)N1C[C@@]2(CN3CCC2CC3)OC1=O
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
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190n/an/an/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50190687
PNG
((R)-3'-(indan-5-yl)spiro[-1-azabicyclo[2.2.2]octan...)
Show SMILES O=C1O[C@]2(CN1c1ccc3CCCc3c1)CN1CCC2CC1
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
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200n/an/an/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50164608
PNG
((2S)-3'-(2-naphthyl)-2'H-spiro[4-azabicyclo[2.2.2]...)
Show SMILES O=C1O[C@]2(CN1c1ccc3ccccc3c1)CN1CCC2CC1
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
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205n/an/an/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50061564
PNG
((3E)-3-[(2,4-DIMETHOXYPHENYL)METHYLIDENE]-3,4,5,6-...)
Show SMILES COc1ccc(\C=C2/CCCN=C2c2cccnc2)c(OC)c1
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+
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220n/an/an/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50093255
PNG
((+)-Spiro[1-azabicyclo[2.2.2]octane-3,5'-oxazolidi...)
Show SMILES O=C1NCC2(CN3CCC2CC3)O1
Show InChI InChI=1/C9H14N2O2/c12-8-10-5-9(13-8)6-11-3-1-7(9)2-4-11/h7H,1-6H2,(H,10,12)
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340n/an/an/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50164629
PNG
((2R)-3'-(1-benzofuran-2-yl)-2'H-spiro[4-azabicyclo...)
Show SMILES O=C1O[C@@]2(CN1c1cc3ccccc3o1)CN1CCC2CC1
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
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370n/an/an/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50164615
PNG
((2R)-3'-(1,3-benzothiazol-2-yl)-2'H-spiro[4-azabic...)
Show SMILES O=C1O[C@@]2(CN1c1nc3ccccc3s1)CN1CCC2CC1
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
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430n/an/an/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50164624
PNG
((2R)-3'-quinolin-2-yl-2'H-spiro[4-azabicyclo[2.2.2...)
Show SMILES O=C1O[C@@]2(CN1c1ccc3ccccc3n1)CN1CCC2CC1
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
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450n/an/an/an/an/an/an/an/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
PNG
(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)
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n/an/a 8n/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50190684
PNG
((R)-3'-(3-methyl-2-oxo-2,3-dihydro-1,3-benzothiazo...)
Show SMILES Cn1c2ccc(cc2sc1=O)N1C[C@]2(CN3CCC2CC3)OC1=O
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
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n/an/a>1.00E+3n/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50164625
PNG
((2R)-3'-(4,5-dimethylthien-2-yl)-2'H-spiro[4-azabi...)
Show SMILES Cc1cc(sc1C)N1C[C@@]2(CN3CCC2CC3)OC1=O
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
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n/an/a>1.00E+3n/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50164623
PNG
((2R)-3'-(3-methylthien-2-yl)-2'H-spiro[4-azabicycl...)
Show SMILES Cc1ccsc1N1C[C@@]2(CN3CCC2CC3)OC1=O
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
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n/an/a>1.00E+3n/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50164620
PNG
((2R)-3'-(4-methylthien-2-yl)-2'H-spiro[4-azabicycl...)
Show SMILES Cc1csc(c1)N1C[C@@]2(CN3CCC2CC3)OC1=O
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
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n/an/a>1.00E+3n/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50164617
PNG
((2R)-3'-pyridin-2-yl-2'H-spiro[4-azabicyclo[2.2.2]...)
Show SMILES O=C1O[C@@]2(CN1c1ccccn1)CN1CCC2CC1
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
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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


(Rattus norvegicus (Rat))
BDBM50164616
PNG
((2R)-3'-(1,3-benzoxazol-2-yl)-2'H-spiro[4-azabicyc...)
Show SMILES O=C1O[C@@]2(CN1c1nc3ccccc3o1)CN1CCC2CC1
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
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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


(Rattus norvegicus (Rat))
BDBM50164610
PNG
((2S)-3'-(1-benzothien-2-yl)-2'H-spiro[4-azabicyclo...)
Show SMILES O=C1O[C@]2(CN1c1cc3ccccc3s1)CN1CCC2CC1
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
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n/an/a>1.00E+3n/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50164609
PNG
(3'-phenyl-2'H-spiro[4-azabicyclo[2.2.2]octane-2,5'...)
Show SMILES O=C1OC2(CN1c1ccccc1)CN1CCC2CC1
Show InChI InChI=1/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
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n/an/a>1.00E+3n/an/an/an/an/an/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


(Rattus norvegicus (Rat))
BDBM50164626
PNG
((2R)-3'-thien-3-yl-2'H-spiro[4-azabicyclo[2.2.2]oc...)
Show SMILES O=C1O[C@@]2(CN1c1ccsc1)CN1CCC2CC1
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
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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


(Rattus norvegicus (Rat))
BDBM50190698
PNG
((R)-3'-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-...)
Show SMILES Cn1c2ccc(cc2oc1=O)N1C[C@]2(CN3CCC2CC3)OC1=O
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
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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


(Rattus norvegicus (Rat))
BDBM50190695
PNG
((R)-3'-(quinolin-6-yl)spiro[1-azabicyclo[2.2.2]oct...)
Show SMILES O=C1O[C@]2(CN1c1ccc3ncccc3c1)CN1CCC2CC1
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
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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 (2D6)


(Homo sapiens (Human))
BDBM50164618
PNG
((2R)-3'-(5-chlorothien-2-yl)-2'H-spiro[4-azabicycl...)
Show SMILES Clc1ccc(s1)N1C[C@@]2(CN3CCC2CC3)OC1=O
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
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n/an/a 2.00E+3n/an/an/an/an/an/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 (2D6)


(Homo sapiens (Human))
BDBM50190696
PNG
((2S)-3'-(5-bromothien-2-yl)-2'H-spiro[4-azabicyclo...)
Show SMILES Brc1ccc(s1)N1C[C@]2(CN3CCC2CC3)OC1=O
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
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n/an/a 9.00E+3n/an/an/an/an/an/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
PNG
(CHEMBL2113241)
Show SMILES Cc1coc2ccc(cc12)N1C[C@@]2(CN3CCC2CC3)OC1=O
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
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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 (2D6)


(Homo sapiens (Human))
BDBM50410986
PNG
(CHEMBL2113242)
Show SMILES CCc1coc2ccc(cc12)N1C[C@@]2(CN3CCC2CC3)OC1=O
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
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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 (2D6)


(Homo sapiens (Human))
BDBM50410987
PNG
(CHEMBL2113238)
Show SMILES Cc1cc2cc(ccc2s1)N1C[C@@]2(CN3CCC2CC3)OC1=O
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
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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 (2D6)


(Homo sapiens (Human))
BDBM50190677
PNG
((R)-3'-(3-bromobenzo[b]thiophen-5-yl)spiro[1-azabi...)
Show SMILES Brc1coc2ccc(cc12)N1C[C@]2(CN3CCC2CC3)OC1=O
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
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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 (2D6)


(Homo sapiens (Human))
BDBM50190686
PNG
((R)-3'-(2,3-dimethylbenzo[b]thiophen-5-yl)spiro[1-...)
Show SMILES Cc1oc2ccc(cc2c1C)N1C[C@]2(CN3CCC2CC3)OC1=O
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
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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 (2D6)


(Homo sapiens (Human))
BDBM50410992
PNG
(CHEMBL2113239)
Show SMILES CCc1cc2cc(ccc2s1)N1C[C@@]2(CN3CCC2CC3)OC1=O
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
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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 (2D6)


(Homo sapiens (Human))
BDBM50410989
PNG
(CHEMBL2113233)
Show SMILES Cc1cc2cc(ccc2o1)N1C[C@@]2(CN3CCC2CC3)OC1=O
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
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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 (2D6)


(Homo sapiens (Human))
BDBM50410990
PNG
(CHEMBL2113228)
Show SMILES O=C1O[C@@]2(CN1c1ccc3occc3c1)CN1CCC2CC1
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
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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 (2D6)


(Homo sapiens (Human))
BDBM50410991
PNG
(CHEMBL2113236)
Show SMILES O=C1O[C@@]2(CN1c1ccc3OCOc3c1)CN1CCC2CC1
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
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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 (2D6)


(Homo sapiens (Human))
BDBM50393256
PNG
(CHEMBL2113232)
Show SMILES O=C1O[C@@]2(CN1c1ccc3sccc3c1)CN1CCC2CC1
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
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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 (2D6)


(Homo sapiens (Human))
BDBM50410988
PNG
(CHEMBL2113241)
Show SMILES Cc1coc2ccc(cc12)N1C[C@@]2(CN3CCC2CC3)OC1=O
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
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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 (2D6)


(Homo sapiens (Human))
BDBM50410993
PNG
(CHEMBL2113240)
Show SMILES Clc1cc2cc(ccc2s1)N1C[C@@]2(CN3CCC2CC3)OC1=O
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
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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
PNG
(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
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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