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Compile Data Set for Download or QSAR

Found 633 hits with Last Name = 'cook' and Initial = 'as'   
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
Proto-oncogene tyrosine-protein kinase ROS


(Homo sapiens (Human))
BDBM50448785
PNG
(CHEMBL3128069)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1sc(nc1C)[C@](C)(O)CO)c1cc(F)ccc1-n1nccn1 |r|
Show InChI InChI=1S/C22H23FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/m1/s1
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PubMed
0.0200n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROS1 (unknown origin) by Pfizer mobility shift assay


J Med Chem 57: 1170-87 (2014)


Article DOI: 10.1021/jm401805h
BindingDB Entry DOI: 10.7270/Q29C6ZX5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM322432
PNG
((R)-7-phenyl-N-(1'-azaspiro[cyclopropane-1,2'-bicy...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2cccc(-c3ccccc3)c2s1
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30n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent




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
PNG
((R)-7-cyclopropyl-N-(1'-azaspiro[cyclopropane-1,2'...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2cccc(C3CC3)c2s1
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36n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent




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
PNG
(7-chloro-N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[...)
Show SMILES Clc1cccc2cc(sc12)C(=O)NC1C2CCN(CC2)C11CC1
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37n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent




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
PNG
((R)-6-chloro-7-methyl-N-(1'-azaspiro[cyclopropane-...)
Show SMILES Cc1c(Cl)ccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1
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47n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent




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
PNG
(7-chloro-N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[...)
Show SMILES Clc1cccc2cc(sc12)C(=O)NC1C2CCN(CC2)C11CC1
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48n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent




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
PNG
((R)-6,7-dichloro-N-(1'-azaspiro[cyclopropane-1,2'-...)
Show SMILES Clc1ccc2cc(sc2c1Cl)C(=O)N[C@@H]1C2CCN(CC2)C11CC1
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54.5n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent




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
PNG
((R)-7-methoxy-N-(1'-azaspiro[cyclopropane-1,2'-bic...)
Show SMILES COc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1
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58n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent




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
PNG
(N-(1''-azaspiro[cyclopropane-1,2''-bicyclo[2.2.2]o...)
Show SMILES O=C(NC1C2CCN(CC2)C11CC1)c1cc2ccccc2s1
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61n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent




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
PNG
(7-fluoro-N-(1''-azaspiro[cyclopropane-1,2''-bicycl...)
Show SMILES Fc1cccc2cc(sc12)C(=O)NC1C2CCN(CC2)C11CC1
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75n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent




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
PNG
((R)-N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[2.2.2...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1n[nH]c2ccccc12
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79n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

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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
PNG
((R)-N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[2.2.2...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2cccc(-c3nccs3)c2s1
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83n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

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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
PNG
((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,)|
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92n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

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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
PNG
(N-(1''-azaspiro[cyclopropane-1,2''-bicyclo[2.2.2]o...)
Show SMILES FC(F)(F)c1cccc2cc(sc12)C(=O)NC1C2CCN(CC2)C11CC1
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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
PNG
((R)-N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[2.2.2...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2ccc3OCCCc3c2s1
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100n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

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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
PNG
(6-amino-N-(1''-azaspiro[cyclopropane-1,2''-bicyclo...)
Show SMILES Nc1ccc2cc(sc2c1)C(=O)NC1C2CCN(CC2)C11CC1
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100n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent




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
PNG
((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,)|
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100n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

US Patent




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
PNG
(N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[2.2.2]oct...)
Show SMILES O=C(NC1C2CCN(CC2)C11CC1)c1ccc2ccsc2c1
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110n/an/an/an/an/an/an/an/a



Axovant Sciences GmbH

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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
PNG
(7-fluoro-N-(1''-azaspiro[cyclopropane-1,2''-bicycl...)
Show SMILES Fc1cccc2cc(sc12)C(=O)NC1C2CCN(CC2)C11CC1
PDB

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Axovant Sciences GmbH

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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
PNG
((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,)|
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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
PNG
((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
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Axovant Sciences GmbH

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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
PNG
((R)-7-cyano-N-(1'-azaspiro[cyclopropane-1,2'-bicyc...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2cccc(C#N)c2s1
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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
PNG
((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,)|
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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
PNG
(6-methoxy-N-(1''-azaspiro[cyclopropane-1,2''-bicyc...)
Show SMILES COc1ccc2cc(sc2c1)C(=O)NC1C2CCN(CC2)C11CC1
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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
PNG
((R)-7-methyl-N-(1'-azaspiro[cyclopropane-1,2'-bicy...)
Show SMILES Cc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1
PDB

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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
PNG
((R)-7-methyl-N-(1'-azaspiro[cyclopropane-1,2'-bicy...)
Show SMILES Cc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1
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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
PNG
((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,)|
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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
PNG
((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,)|
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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
PNG
((R)-N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[2.2.2...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2cccc(-c3nccs3)c2s1
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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
PNG
((R)-N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[2.2.2...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2ccc3CCCOc3c2s1
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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
PNG
((R)-7-fluoro-6-methyl-N-(1'-azaspiro[cyclopropane-...)
Show SMILES Cc1ccc2cc(sc2c1F)C(=O)N[C@@H]1C2CCN(CC2)C11CC1
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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
PNG
((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,)|
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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
PNG
((R)-2-methyl-N-(1'-azaspiro[cyclopropane-1,2'-bicy...)
Show SMILES Cc1cc2ccc(cc2s1)C(=O)N[C@@H]1C2CCN(CC2)C11CC1
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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
PNG
((R)-6-fluoro-7-methoxy-N-(1'-azaspiro[cyclopropane...)
Show SMILES COc1c(F)ccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1
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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
PNG
((R)-7-isopropoxy-N-(1'-azaspiro[cyclopropane-1,2'-...)
Show SMILES CC(C)Oc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1
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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
PNG
((R)-7-chloro-6-methyl-N-(1'-azaspiro[cyclopropane-...)
Show SMILES Cc1ccc2cc(sc2c1Cl)C(=O)N[C@@H]1C2CCN(CC2)C11CC1
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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
PNG
((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,)|
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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
PNG
((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,)|
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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
PNG
((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,)|
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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
PNG
(6-chloro-N-(1''-azaspiro[cyclopropane-1,2''-bicycl...)
Show SMILES Clc1ccc2cc(sc2c1)C(=O)NC1C2CCN(CC2)C11CC1
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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
PNG
(6-methyl-N-(1''-azaspiro[cyclopropane-1,2''-bicycl...)
Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1C2CCN(CC2)C11CC1
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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
PNG
((R)-7-cyano-6-methyl-N-(1'-azaspiro[cyclopropane-1...)
Show SMILES Cc1ccc2cc(sc2c1C#N)C(=O)N[C@@H]1C2CCN(CC2)C11CC1
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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
PNG
((R)-7-cyclopropyl-N-(1'-azaspiro[cyclopropane-1,2'...)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)C11CC1)c1cc2cccc(C3CC3)c2s1
PDB

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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
PNG
(5-fluoro-N-(1'-azaspiro[cyclopropane-1,2'-bicyclo[...)
Show SMILES Fc1ccc2sc(cc2c1)C(=O)NC1C2CCN(CC2)C11CC1
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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
PNG
((R)-7-ethoxy-N-(1'-azaspiro[cyclopropane-1,2'-bicy...)
Show SMILES CCOc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1
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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
PNG
((R)-7-(1-methylcyclopropyl)-N-(1'-azaspiro[cyclopr...)
Show SMILES CC1(CC1)c1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1
PDB

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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
PNG
((R)-7-chloro-6-fluoro-N-(1'-azaspiro[cyclopropane-...)
Show SMILES Fc1ccc2cc(sc2c1Cl)C(=O)N[C@@H]1C2CCN(CC2)C11CC1
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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
PNG
(6-cyclopropyl-N-(1''-azaspiro[cyclopropane-1,2''-b...)
Show SMILES O=C(NC1C2CCN(CC2)C11CC1)c1cc2ccc(cc2s1)C1CC1
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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
PNG
((R)-6-chloro-7-methoxy-N-(1'-azaspiro[cyclopropane...)
Show SMILES COc1c(Cl)ccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1
PDB

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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
PNG
((R)-7-isopropoxy-N-(1'-azaspiro[cyclopropane-1,2'-...)
Show SMILES CC(C)Oc1cccc2cc(sc12)C(=O)N[C@@H]1C2CCN(CC2)C11CC1
PDB

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US Patent US10183938 (2019)


BindingDB Entry DOI: 10.7270/Q2VD71JR
More data for this
Ligand-Target Pair
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