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Compile Data Set for Download or QSAR

Found 63 hits from Critical Therapeutics, Inc.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50049750
PNG
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)
Show SMILES C(Oc1cccnc1)[C@@H]1CCN1
Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
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0.0520n/an/an/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at alpha4beta2 nAChR (unknown origin)


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (human))
BDBM50049750
PNG
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)
Show SMILES C(Oc1cccnc1)[C@@H]1CCN1
Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
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148n/an/an/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at alpha7 nAChR (unknown origin)


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016200
PNG
(CHEMBL3262146)
Show SMILES Clc1cnc2nc(sc2c1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C16H16ClN5OS.ClH/c17-11-6-14-15(20-7-11)21-16(24-14)22-5-4-19-8-12(22)10-23-13-2-1-3-18-9-13;/h1-3,6-7,9,12,19H,4-5,8,10H2;1H
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n/an/a 4n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016184
PNG
(CHEMBL3262131)
Show SMILES C(Oc1cccnc1)C1CNCCN1c1nc2ncccc2o1
Show InChI InChI=1S/C16H17N5O2.ClH/c1-3-13(10-17-5-1)22-11-12-9-18-7-8-21(12)16-20-15-14(23-16)4-2-6-19-15;/h1-6,10,12,18H,7-9,11H2;1H
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n/an/a 4n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016185
PNG
(CHEMBL3262132)
Show SMILES C(Oc1cccnc1)[C@H]1CNCCN1c1nc2ncccc2o1
Show InChI InChI=1S/C16H17N5O2.ClH/c1-3-13(10-17-5-1)22-11-12-9-18-7-8-21(12)16-20-15-14(23-16)4-2-6-19-15;/h1-6,10,12,18H,7-9,11H2;1H/t12-;/m1./s1
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n/an/a 5.5n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016209
PNG
(CHEMBL3262155)
Show SMILES Clc1ccc(OC(=O)N2CCNCC2COc2cccnc2)cc1
Show InChI InChI=1S/C17H18ClN3O3.ClH/c18-13-3-5-15(6-4-13)24-17(22)21-9-8-20-10-14(21)12-23-16-2-1-7-19-11-16;/h1-7,11,14,20H,8-10,12H2;1H
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n/an/a 9.5n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016210
PNG
(CHEMBL3262156)
Show SMILES COc1ccc(OC(=O)N2CCNCC2COc2cccnc2)cc1
Show InChI InChI=1S/C18H21N3O4.ClH/c1-23-15-4-6-16(7-5-15)25-18(22)21-10-9-20-11-14(21)13-24-17-3-2-8-19-12-17;/h2-8,12,14,20H,9-11,13H2,1H3;1H
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n/an/a 11n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016227
PNG
(CHEMBL3262173)
Show SMILES O=C(Nc1ccc(cc1)-c1ccccc1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C23H24N4O2.ClH/c28-23(26-20-10-8-19(9-11-20)18-5-2-1-3-6-18)27-14-13-25-15-21(27)17-29-22-7-4-12-24-16-22;/h1-12,16,21,25H,13-15,17H2,(H,26,28);1H
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n/an/a 13n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016225
PNG
(CHEMBL3262171)
Show SMILES Cc1cc(NC(=O)N2CCNCC2COc2cccnc2)ccc1Br
Show InChI InChI=1S/C18H21BrN4O2.ClH/c1-13-9-14(4-5-17(13)19)22-18(24)23-8-7-21-10-15(23)12-25-16-3-2-6-20-11-16;/h2-6,9,11,15,21H,7-8,10,12H2,1H3,(H,22,24);1H
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n/an/a 14n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016197
PNG
(CHEMBL3262143)
Show SMILES Fc1cccc2sc(nc12)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C17H17FN4OS.ClH/c18-14-4-1-5-15-16(14)21-17(24-15)22-8-7-20-9-12(22)11-23-13-3-2-6-19-10-13;/h1-6,10,12,20H,7-9,11H2;1H
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n/an/a 17n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016217
PNG
(CHEMBL3262163)
Show SMILES COc1ccc(NC(=O)N2CCNC[C@@H]2COc2cccnc2)cc1
Show InChI InChI=1S/C18H22N4O3.ClH/c1-24-16-6-4-14(5-7-16)21-18(23)22-10-9-20-11-15(22)13-25-17-3-2-8-19-12-17;/h2-8,12,15,20H,9-11,13H2,1H3,(H,21,23);1H/t15-;/m1./s1
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n/an/a 19n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016198
PNG
(CHEMBL3262144)
Show SMILES Fc1cc(F)c2nc(sc2c1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C17H16F2N4OS.ClH/c18-11-6-14(19)16-15(7-11)25-17(22-16)23-5-4-21-8-12(23)10-24-13-2-1-3-20-9-13;/h1-3,6-7,9,12,21H,4-5,8,10H2;1H
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n/an/a 19n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016179
PNG
(CHEMBL3262126)
Show SMILES COc1ccc2nc(oc2c1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C18H20N4O3.ClH/c1-23-14-4-5-16-17(9-14)25-18(21-16)22-8-7-20-10-13(22)12-24-15-3-2-6-19-11-15;/h2-6,9,11,13,20H,7-8,10,12H2,1H3;1H
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n/an/a 22n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016199
PNG
(CHEMBL3262145)
Show SMILES C(Oc1cccnc1)C1CNCCN1c1nc2ncccc2s1
Show InChI InChI=1S/C16H17N5OS.ClH/c1-3-13(10-17-5-1)22-11-12-9-18-7-8-21(12)16-20-15-14(23-16)4-2-6-19-15;/h1-6,10,12,18H,7-9,11H2;1H
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n/an/a 32n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016208
PNG
(CHEMBL3262154)
Show SMILES O=C(Oc1ccccc1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C17H19N3O3.ClH/c21-17(23-15-5-2-1-3-6-15)20-10-9-19-11-14(20)13-22-16-7-4-8-18-12-16;/h1-8,12,14,19H,9-11,13H2;1H
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n/an/a 37n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016212
PNG
(CHEMBL3262158)
Show SMILES Clc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1Cl
Show InChI InChI=1S/C17H18Cl2N4O2.ClH/c18-15-4-3-12(8-16(15)19)22-17(24)23-7-6-21-9-13(23)11-25-14-2-1-5-20-10-14;/h1-5,8,10,13,21H,6-7,9,11H2,(H,22,24);1H
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n/an/a 40n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016228
PNG
(CHEMBL3262174)
Show SMILES O=C(Nc1ccc(cc1)C(=O)c1ccccc1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C24H24N4O3.ClH/c29-23(18-5-2-1-3-6-18)19-8-10-20(11-9-19)27-24(30)28-14-13-26-15-21(28)17-31-22-7-4-12-25-16-22;/h1-12,16,21,26H,13-15,17H2,(H,27,30);1H
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n/an/a 41n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016226
PNG
(CHEMBL3262172)
Show SMILES Fc1cc(Br)ccc1NC(=O)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C17H18BrFN4O2.ClH/c18-12-3-4-16(15(19)8-12)22-17(24)23-7-6-21-9-13(23)11-25-14-2-1-5-20-10-14;/h1-5,8,10,13,21H,6-7,9,11H2,(H,22,24);1H
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n/an/a 42n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016222
PNG
(CHEMBL3262168)
Show SMILES COc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1Cl
Show InChI InChI=1S/C18H21ClN4O3.ClH/c1-25-17-5-4-13(9-16(17)19)22-18(24)23-8-7-21-10-14(23)12-26-15-3-2-6-20-11-15;/h2-6,9,11,14,21H,7-8,10,12H2,1H3,(H,22,24);1H
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n/an/a 45n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016189
PNG
(CHEMBL3262135)
Show SMILES COc1ccc2nc(sc2c1)N1CCNC[C@@H]1COc1cccnc1
Show InChI InChI=1S/C18H20N4O2S.ClH/c1-23-14-4-5-16-17(9-14)25-18(21-16)22-8-7-20-10-13(22)12-24-15-3-2-6-19-11-15;/h2-6,9,11,13,20H,7-8,10,12H2,1H3;1H/t13-;/m1./s1
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n/an/a 46n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016224
PNG
(CHEMBL3262170)
Show SMILES Brc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1
Show InChI InChI=1S/C17H19BrN4O2.ClH/c18-13-3-5-14(6-4-13)21-17(23)22-9-8-20-10-15(22)12-24-16-2-1-7-19-11-16;/h1-7,11,15,20H,8-10,12H2,(H,21,23);1H
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n/an/a 50n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50016185
PNG
(CHEMBL3262132)
Show SMILES C(Oc1cccnc1)[C@H]1CNCCN1c1nc2ncccc2o1
Show InChI InChI=1S/C16H17N5O2.ClH/c1-3-13(10-17-5-1)22-11-12-9-18-7-8-21(12)16-20-15-14(23-16)4-2-6-19-15;/h1-6,10,12,18H,7-9,11H2;1H/t12-;/m1./s1
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n/an/a 58n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human alpha4beta2 nAChR expressed in Xenopus oocytes by voltage clamp method


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016216
PNG
(CHEMBL3262162)
Show SMILES COc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1
Show InChI InChI=1S/C18H22N4O3.ClH/c1-24-16-6-4-14(5-7-16)21-18(23)22-10-9-20-11-15(22)13-25-17-3-2-8-19-12-17;/h2-8,12,15,20H,9-11,13H2,1H3,(H,21,23);1H
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n/an/a 60n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016182
PNG
(CHEMBL3262129)
Show SMILES Brc1ccc2oc(nc2c1)N1CCNC[C@@H]1COc1cccnc1
Show InChI InChI=1S/C17H17BrN4O2.ClH/c18-12-3-4-16-15(8-12)21-17(24-16)22-7-6-20-9-13(22)11-23-14-2-1-5-19-10-14;/h1-5,8,10,13,20H,6-7,9,11H2;1H/t13-;/m1./s1
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n/an/a 67n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016207
PNG
(CHEMBL3262153)
Show SMILES Clc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1
Show InChI InChI=1S/C17H19ClN4O2.ClH/c18-13-3-5-14(6-4-13)21-17(23)22-9-8-20-10-15(22)12-24-16-2-1-7-19-11-16;/h1-7,11,15,20H,8-10,12H2,(H,21,23);1H
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n/an/a 70n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016180
PNG
(CHEMBL3262127)
Show SMILES COc1ccc2oc(nc2c1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C18H20N4O3.ClH/c1-23-14-4-5-17-16(9-14)21-18(25-17)22-8-7-20-10-13(22)12-24-15-3-2-6-19-11-15;/h2-6,9,11,13,20H,7-8,10,12H2,1H3;1H
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n/an/a 71n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016213
PNG
(CHEMBL3262159)
Show SMILES Cc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1
Show InChI InChI=1S/C18H22N4O2.ClH/c1-14-4-6-15(7-5-14)21-18(23)22-10-9-20-11-16(22)13-24-17-3-2-8-19-12-17;/h2-8,12,16,20H,9-11,13H2,1H3,(H,21,23);1H
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n/an/a 74n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016181
PNG
(CHEMBL3262128)
Show SMILES Brc1ccc2oc(nc2c1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C17H17BrN4O2.ClH/c18-12-3-4-16-15(8-12)21-17(24-16)22-7-6-20-9-13(22)11-23-14-2-1-5-19-10-14;/h1-5,8,10,13,20H,6-7,9,11H2;1H
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n/an/a 75n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016188
PNG
(CHEMBL3259843)
Show SMILES COc1ccc2nc(sc2c1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C18H20N4O2S.ClH/c1-23-14-4-5-16-17(9-14)25-18(21-16)22-8-7-20-10-13(22)12-24-15-3-2-6-19-11-15;/h2-6,9,11,13,20H,7-8,10,12H2,1H3;1H
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n/an/a 79n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016221
PNG
(CHEMBL3262167)
Show SMILES COc1ccc(NC(=O)N2CCNCC2COc2cccnc2)c(OC)c1
Show InChI InChI=1S/C19H24N4O4.ClH/c1-25-15-5-6-17(18(10-15)26-2)22-19(24)23-9-8-21-11-14(23)13-27-16-4-3-7-20-12-16;/h3-7,10,12,14,21H,8-9,11,13H2,1-2H3,(H,22,24);1H
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n/an/a 80n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016192
PNG
(CHEMBL3262138)
Show SMILES Cc1ccc2nc(sc2c1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C18H20N4OS.ClH/c1-13-4-5-16-17(9-13)24-18(21-16)22-8-7-20-10-14(22)12-23-15-3-2-6-19-11-15;/h2-6,9,11,14,20H,7-8,10,12H2,1H3;1H
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n/an/a 85n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016178
PNG
(CHEMBL3262125)
Show SMILES C(Oc1cccnc1)C1CNCCN1c1nc2ccccc2o1
Show InChI InChI=1S/C17H18N4O2/c1-2-6-16-15(5-1)20-17(23-16)21-9-8-19-10-13(21)12-22-14-4-3-7-18-11-14/h1-7,11,13,19H,8-10,12H2
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n/an/a 106n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016191
PNG
(CHEMBL3262137)
Show SMILES COc1ccc2sc(nc2c1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C18H20N4O2S.ClH/c1-23-14-4-5-17-16(9-14)21-18(25-17)22-8-7-20-10-13(22)12-24-15-3-2-6-19-11-15;/h2-6,9,11,13,20H,7-8,10,12H2,1H3;1H
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n/an/a 107n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016204
PNG
(CHEMBL3262150)
Show SMILES Clc1ccc(CC(=O)N2CCNCC2COc2cccnc2)cc1
Show InChI InChI=1S/C18H20ClN3O2.ClH/c19-15-5-3-14(4-6-15)10-18(23)22-9-8-21-11-16(22)13-24-17-2-1-7-20-12-17;/h1-7,12,16,21H,8-11,13H2;1H
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n/an/a 110n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016196
PNG
(CHEMBL3262142)
Show SMILES Fc1ccc2nc(sc2c1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C17H17FN4OS.ClH/c18-12-3-4-15-16(8-12)24-17(21-15)22-7-6-20-9-13(22)11-23-14-2-1-5-19-10-14;/h1-5,8,10,13,20H,6-7,9,11H2;1H
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n/an/a 132n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016223
PNG
(CHEMBL3262169)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1
Show InChI InChI=1S/C18H19F3N4O3.ClH/c19-18(20,21)28-15-5-3-13(4-6-15)24-17(26)25-9-8-23-10-14(25)12-27-16-2-1-7-22-11-16;/h1-7,11,14,23H,8-10,12H2,(H,24,26);1H
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n/an/a 152n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016193
PNG
(CHEMBL3262139)
Show SMILES Clc1ccc2nc(sc2c1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C17H17ClN4OS/c18-12-3-4-15-16(8-12)24-17(21-15)22-7-6-20-9-13(22)11-23-14-2-1-5-19-10-14/h1-5,8,10,13,20H,6-7,9,11H2
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n/an/a 153n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016211
PNG
(CHEMBL3262157)
Show SMILES Clc1cccc(NC(=O)N2CCNCC2COc2cccnc2)c1
Show InChI InChI=1S/C17H19ClN4O2.ClH/c18-13-3-1-4-14(9-13)21-17(23)22-8-7-20-10-15(22)12-24-16-5-2-6-19-11-16;/h1-6,9,11,15,20H,7-8,10,12H2,(H,21,23);1H
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n/an/a 210n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016214
PNG
(CHEMBL3262160)
Show SMILES FC(F)(F)c1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1
Show InChI InChI=1S/C18H19F3N4O2.ClH/c19-18(20,21)13-3-5-14(6-4-13)24-17(26)25-9-8-23-10-15(25)12-27-16-2-1-7-22-11-16;/h1-7,11,15,23H,8-10,12H2,(H,24,26);1H
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n/an/a 220n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016194
PNG
(CHEMBL3262140)
Show SMILES FC(F)(F)Oc1ccc2nc(sc2c1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C18H17F3N4O2S.ClH/c19-18(20,21)27-13-3-4-15-16(8-13)28-17(24-15)25-7-6-23-9-12(25)11-26-14-2-1-5-22-10-14;/h1-5,8,10,12,23H,6-7,9,11H2;1H
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n/an/a 270n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016215
PNG
(CHEMBL3262161)
Show SMILES CC(C)c1ccc(NC(=O)N2CCNCC2COc2cccnc2)cc1
Show InChI InChI=1S/C20H26N4O2.ClH/c1-15(2)16-5-7-17(8-6-16)23-20(25)24-11-10-22-12-18(24)14-26-19-4-3-9-21-13-19;/h3-9,13,15,18,22H,10-12,14H2,1-2H3,(H,23,25);1H
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Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016195
PNG
(CHEMBL3262141)
Show SMILES FC(F)(F)c1ccc2nc(sc2c1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C18H17F3N4OS.ClH/c19-18(20,21)12-3-4-15-16(8-12)27-17(24-15)25-7-6-23-9-13(25)11-26-14-2-1-5-22-10-14;/h1-5,8,10,13,23H,6-7,9,11H2;1H
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n/an/a 338n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016219
PNG
(CHEMBL3262165)
Show SMILES COc1cccc(NC(=O)N2CCNCC2COc2cccnc2)c1
Show InChI InChI=1S/C18H22N4O3.ClH/c1-24-16-5-2-4-14(10-16)21-18(23)22-9-8-20-11-15(22)13-25-17-6-3-7-19-12-17;/h2-7,10,12,15,20H,8-9,11,13H2,1H3,(H,21,23);1H
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n/an/a 340n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016187
PNG
(CHEMBL3262134)
Show SMILES C(Oc1cccnc1)C1CNCCN1c1nc2ccccc2s1
Show InChI InChI=1S/C17H18N4OS/c1-2-6-16-15(5-1)20-17(23-16)21-9-8-19-10-13(21)12-22-14-4-3-7-18-11-14/h1-7,11,13,19H,8-10,12H2
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n/an/a 490n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016203
PNG
(CHEMBL3262149)
Show SMILES O=C(Cc1ccccc1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C18H21N3O2.ClH/c22-18(11-15-5-2-1-3-6-15)21-10-9-20-12-16(21)14-23-17-7-4-8-19-13-17;/h1-8,13,16,20H,9-12,14H2;1H
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n/an/a 560n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016229
PNG
(CHEMBL3262175)
Show SMILES O=C(Nc1ccc2OCCc2c1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C19H22N4O3.ClH/c24-19(22-15-3-4-18-14(10-15)5-9-25-18)23-8-7-21-11-16(23)13-26-17-2-1-6-20-12-17;/h1-4,6,10,12,16,21H,5,7-9,11,13H2,(H,22,24);1H
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n/an/a 630n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016206
PNG
(CHEMBL3262152)
Show SMILES O=C(Nc1ccccc1)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C17H20N4O2.ClH/c22-17(20-14-5-2-1-3-6-14)21-10-9-19-11-15(21)13-23-16-7-4-8-18-12-16;/h1-8,12,15,19H,9-11,13H2,(H,20,22);1H
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n/an/a 680n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016220
PNG
(CHEMBL3262166)
Show SMILES COc1ccccc1NC(=O)N1CCNCC1COc1cccnc1
Show InChI InChI=1S/C18H22N4O3.ClH/c1-24-17-7-3-2-6-16(17)21-18(23)22-10-9-20-11-14(22)13-25-15-5-4-8-19-12-15;/h2-8,12,14,20H,9-11,13H2,1H3,(H,21,23);1H
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n/an/a 850n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016201
PNG
(CHEMBL3262147)
Show SMILES O=C(N1CCNCC1COc1cccnc1)c1ccccc1
Show InChI InChI=1S/C17H19N3O2.ClH/c21-17(14-5-2-1-3-6-14)20-10-9-19-11-15(20)13-22-16-7-4-8-18-12-16;/h1-8,12,15,19H,9-11,13H2;1H
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n/an/a 1.08E+3n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50016186
PNG
(CHEMBL3262133)
Show SMILES C(Oc1cccnc1)[C@@H]1CNCCN1c1nc2ncccc2o1
Show InChI InChI=1S/C16H17N5O2.ClH/c1-3-13(10-17-5-1)22-11-12-9-18-7-8-21(12)16-20-15-14(23-16)4-2-6-19-15;/h1-6,10,12,18H,7-9,11H2;1H/t12-;/m0./s1
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n/an/a 1.58E+3n/an/an/an/an/an/a



Critical Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of biotinylated alpha-bungarotoxin binding to alpha7 nAChR in rat PC12 cells by FACS analysis


J Med Chem 57: 3966-83 (2014)


Article DOI: 10.1021/jm5004599
BindingDB Entry DOI: 10.7270/Q2CV4K8S
More data for this
Ligand-Target Pair
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