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Compile Data Set for Download or QSAR

Found 47 hits with Last Name = 'hogenkamp' and Initial = 'dj'   
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 subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50373059
PNG
(CHEMBL429317)
Show SMILES Cc1cc(on1)C(C=Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 |w:7.7|
Show InChI InChI=1S/C19H15Cl2N3O2/c1-12-10-18(26-24-12)17(11-22-15-6-2-13(20)3-7-15)19(25)23-16-8-4-14(21)5-9-16/h2-11,17H,1H3,(H,23,25)
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4.5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha-7 nAChR in rat hipocampus


Proc Natl Acad Sci USA 104: 8059-64 (2007)


Article DOI: 10.1073/pnas.0701321104
BindingDB Entry DOI: 10.7270/Q2NS0VS3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50373059
PNG
(CHEMBL429317)
Show SMILES Cc1cc(on1)C(C=Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 |w:7.7|
Show InChI InChI=1S/C19H15Cl2N3O2/c1-12-10-18(26-24-12)17(11-22-15-6-2-13(20)3-7-15)19(25)23-16-8-4-14(21)5-9-16/h2-11,17H,1H3,(H,23,25)
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4.5n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha-7 nAChR in rat amygdala


Proc Natl Acad Sci USA 104: 8059-64 (2007)


Article DOI: 10.1073/pnas.0701321104
BindingDB Entry DOI: 10.7270/Q2NS0VS3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50373059
PNG
(CHEMBL429317)
Show SMILES Cc1cc(on1)C(C=Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 |w:7.7|
Show InChI InChI=1S/C19H15Cl2N3O2/c1-12-10-18(26-24-12)17(11-22-15-6-2-13(20)3-7-15)19(25)23-16-8-4-14(21)5-9-16/h2-11,17H,1H3,(H,23,25)
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10n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha-7 nAChR in rat cortex


Proc Natl Acad Sci USA 104: 8059-64 (2007)


Article DOI: 10.1073/pnas.0701321104
BindingDB Entry DOI: 10.7270/Q2NS0VS3
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50141067
PNG
(3-[4-(2,4-Difluoro-phenoxy)-phenyl]-pyrazole-1-car...)
Show SMILES NC(=O)n1ccc(n1)-c1ccc(Oc2ccc(F)cc2F)cc1
Show InChI InChI=1S/C16H11F2N3O2/c17-11-3-6-15(13(18)9-11)23-12-4-1-10(2-5-12)14-7-8-21(20-14)16(19)22/h1-9H,(H2,19,22)
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25n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells


J Med Chem 47: 1547-52 (2004)


Article DOI: 10.1021/jm030498q
BindingDB Entry DOI: 10.7270/Q2SX6F0Q
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50141062
PNG
(3-[4-(4-Fluoro-phenoxy)-phenyl]-pyrazole-1-carboxy...)
Show SMILES NC(=O)n1ccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H12FN3O2/c17-12-3-7-14(8-4-12)22-13-5-1-11(2-6-13)15-9-10-20(19-15)16(18)21/h1-10H,(H2,18,21)
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31n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells


J Med Chem 47: 1547-52 (2004)


Article DOI: 10.1021/jm030498q
BindingDB Entry DOI: 10.7270/Q2SX6F0Q
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50141070
PNG
(3-[4-(4-Nitro-phenoxy)-phenyl]-pyrazole-1-carboxyl...)
Show SMILES NC(=O)n1ccc(n1)-c1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H12N4O4/c17-16(21)19-10-9-15(18-19)11-1-5-13(6-2-11)24-14-7-3-12(4-8-14)20(22)23/h1-10H,(H2,17,21)
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31n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells


J Med Chem 47: 1547-52 (2004)


Article DOI: 10.1021/jm030498q
BindingDB Entry DOI: 10.7270/Q2SX6F0Q
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50141072
PNG
(3-(4-Phenoxy-phenyl)-pyrazole-1-carboxylic acid am...)
Show SMILES NC(=O)n1ccc(n1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H13N3O2/c17-16(20)19-11-10-15(18-19)12-6-8-14(9-7-12)21-13-4-2-1-3-5-13/h1-11H,(H2,17,20)
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35n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells


J Med Chem 47: 1547-52 (2004)


Article DOI: 10.1021/jm030498q
BindingDB Entry DOI: 10.7270/Q2SX6F0Q
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50141065
PNG
(3-[4-(4-Fluoro-phenoxy)-phenyl]-pyrazole-1-carboxy...)
Show SMILES CNC(=O)n1ccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H14FN3O2/c1-19-17(22)21-11-10-16(20-21)12-2-6-14(7-3-12)23-15-8-4-13(18)5-9-15/h2-11H,1H3,(H,19,22)
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150n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells


J Med Chem 47: 1547-52 (2004)


Article DOI: 10.1021/jm030498q
BindingDB Entry DOI: 10.7270/Q2SX6F0Q
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50141073
PNG
((E)-2-(4-(4-fluorophenoxy)benzylidene)hydrazinecar...)
Show SMILES NC(=O)NN=Cc1ccc(Oc2ccc(F)cc2)cc1 |w:5.5|
Show InChI InChI=1S/C14H12FN3O2/c15-11-3-7-13(8-4-11)20-12-5-1-10(2-6-12)9-17-18-14(16)19/h1-9H,(H3,16,18,19)
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180n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells


J Med Chem 47: 1547-52 (2004)


Article DOI: 10.1021/jm030498q
BindingDB Entry DOI: 10.7270/Q2SX6F0Q
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50141066
PNG
(3-[4-(4-Fluoro-phenoxy)-phenyl]-1H-pyrazole | CHEM...)
Show SMILES Fc1ccc(Oc2ccc(cc2)-c2cc[nH]n2)cc1
Show InChI InChI=1S/C15H11FN2O/c16-12-3-7-14(8-4-12)19-13-5-1-11(2-6-13)15-9-10-17-18-15/h1-10H,(H,17,18)
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200n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells


J Med Chem 47: 1547-52 (2004)


Article DOI: 10.1021/jm030498q
BindingDB Entry DOI: 10.7270/Q2SX6F0Q
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50141064
PNG
(3-(4-Phenoxy-phenyl)-1H-pyrazole | CHEMBL41864)
Show SMILES O(c1ccccc1)c1ccc(cc1)-c1cc[nH]n1
Show InChI InChI=1S/C15H12N2O/c1-2-4-13(5-3-1)18-14-8-6-12(7-9-14)15-10-11-16-17-15/h1-11H,(H,16,17)
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240n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells


J Med Chem 47: 1547-52 (2004)


Article DOI: 10.1021/jm030498q
BindingDB Entry DOI: 10.7270/Q2SX6F0Q
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50141071
PNG
(3-[4-(4-Fluoro-phenoxy)-phenyl]-pyrazole-1-carboxy...)
Show SMILES CN(C)C(=O)n1ccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H16FN3O2/c1-21(2)18(23)22-12-11-17(20-22)13-3-7-15(8-4-13)24-16-9-5-14(19)6-10-16/h3-12H,1-2H3
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340n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells


J Med Chem 47: 1547-52 (2004)


Article DOI: 10.1021/jm030498q
BindingDB Entry DOI: 10.7270/Q2SX6F0Q
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50141069
PNG
(3-[4-(4-Fluoro-phenoxy)-phenyl]-1-methyl-1H-pyrazo...)
Show SMILES Cn1ccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H13FN2O/c1-19-11-10-16(18-19)12-2-6-14(7-3-12)20-15-8-4-13(17)5-9-15/h2-11H,1H3
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690n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells


J Med Chem 47: 1547-52 (2004)


Article DOI: 10.1021/jm030498q
BindingDB Entry DOI: 10.7270/Q2SX6F0Q
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50031299
PNG
(6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...)
Show SMILES Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
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1.70E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells


J Med Chem 47: 1547-52 (2004)


Article DOI: 10.1021/jm030498q
BindingDB Entry DOI: 10.7270/Q2SX6F0Q
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50003655
PNG
(Phenytoin)
Show SMILES O=C1NC(=O)C(N1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)
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2.40E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells


J Med Chem 47: 1547-52 (2004)


Article DOI: 10.1021/jm030498q
BindingDB Entry DOI: 10.7270/Q2SX6F0Q
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50003659
PNG
(5H-dibenzo[b,f]azepine-5-carboxamide | CARBAMAZEPI...)
Show SMILES NC(=O)N1c2ccccc2C=Cc2ccccc12 |c:11|
Show InChI InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
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5.20E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells


J Med Chem 47: 1547-52 (2004)


Article DOI: 10.1021/jm030498q
BindingDB Entry DOI: 10.7270/Q2SX6F0Q
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50078831
PNG
(3-Phenyl-1H-pyrazole | CHEMBL38876)
Show SMILES c1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H,(H,10,11)
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6.10E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells


J Med Chem 47: 1547-52 (2004)


Article DOI: 10.1021/jm030498q
BindingDB Entry DOI: 10.7270/Q2SX6F0Q
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Homo sapiens (Human))
BDBM50141063
PNG
(3-(4-Methoxy-phenyl)-1H-pyrazole | CHEMBL39210)
Show SMILES COc1ccc(cc1)-c1cc[nH]n1
Show InChI InChI=1S/C10H10N2O/c1-13-9-4-2-8(3-5-9)10-6-7-11-12-10/h2-7H,1H3,(H,11,12)
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8.10E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

Curated by ChEMBL


Assay Description
Affinity for inactive human SkM1 sodium channel expressed in HEK293 cells


J Med Chem 47: 1547-52 (2004)


Article DOI: 10.1021/jm030498q
BindingDB Entry DOI: 10.7270/Q2SX6F0Q
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50373059
PNG
(CHEMBL429317)
Show SMILES Cc1cc(on1)C(C=Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 |w:7.7|
Show InChI InChI=1S/C19H15Cl2N3O2/c1-12-10-18(26-24-12)17(11-22-15-6-2-13(20)3-7-15)19(25)23-16-8-4-14(21)5-9-16/h2-11,17H,1H3,(H,23,25)
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n/an/a 12n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha-7 nAChR in rat hipocampus


Proc Natl Acad Sci USA 104: 8059-64 (2007)


Article DOI: 10.1073/pnas.0701321104
BindingDB Entry DOI: 10.7270/Q2NS0VS3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50373059
PNG
(CHEMBL429317)
Show SMILES Cc1cc(on1)C(C=Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 |w:7.7|
Show InChI InChI=1S/C19H15Cl2N3O2/c1-12-10-18(26-24-12)17(11-22-15-6-2-13(20)3-7-15)19(25)23-16-8-4-14(21)5-9-16/h2-11,17H,1H3,(H,23,25)
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n/an/a 12n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha-7 nAChR in rat amygdala


Proc Natl Acad Sci USA 104: 8059-64 (2007)


Article DOI: 10.1073/pnas.0701321104
BindingDB Entry DOI: 10.7270/Q2NS0VS3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50373059
PNG
(CHEMBL429317)
Show SMILES Cc1cc(on1)C(C=Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 |w:7.7|
Show InChI InChI=1S/C19H15Cl2N3O2/c1-12-10-18(26-24-12)17(11-22-15-6-2-13(20)3-7-15)19(25)23-16-8-4-14(21)5-9-16/h2-11,17H,1H3,(H,23,25)
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n/an/a 28n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from alpha-7 nAChR in rat cortex


Proc Natl Acad Sci USA 104: 8059-64 (2007)


Article DOI: 10.1073/pnas.0701321104
BindingDB Entry DOI: 10.7270/Q2NS0VS3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50441948
PNG
(CHEMBL2440299)
Show SMILES CCCNc1ncc(cc1C(=O)c1ccc(Cl)cc1)-c1ccc(OCC)cc1
Show InChI InChI=1S/C23H23ClN2O2/c1-3-13-25-23-21(22(27)17-5-9-19(24)10-6-17)14-18(15-26-23)16-7-11-20(12-8-16)28-4-2/h5-12,14-15H,3-4,13H2,1-2H3,(H,25,26)
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n/an/an/an/a 140n/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Type-1 positive allosteric modulation of human alpha7 nAChR expressed in Xenopus oocytes assessed as maximum modulation of nicotine EC5 response by t...


J Med Chem 56: 8352-65 (2013)


Article DOI: 10.1021/jm400704g
BindingDB Entry DOI: 10.7270/Q29P3331
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50441949
PNG
(CHEMBL2440298)
Show SMILES CCNc1ncc(cc1C(=O)c1ccc(Cl)cc1)-c1ccc(OCC)cc1
Show InChI InChI=1S/C22H21ClN2O2/c1-3-24-22-20(21(26)16-5-9-18(23)10-6-16)13-17(14-25-22)15-7-11-19(12-8-15)27-4-2/h5-14H,3-4H2,1-2H3,(H,24,25)
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n/an/an/an/a 160n/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Type-1 positive allosteric modulation of human alpha7 nAChR expressed in Xenopus oocytes assessed as maximum modulation of nicotine EC5 response by t...


J Med Chem 56: 8352-65 (2013)


Article DOI: 10.1021/jm400704g
BindingDB Entry DOI: 10.7270/Q29P3331
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50441950
PNG
(CHEMBL2440296)
Show SMILES CCOc1ccc(cc1)-c1cnc(NC)c(c1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H19ClN2O2/c1-3-26-18-10-6-14(7-11-18)16-12-19(21(23-2)24-13-16)20(25)15-4-8-17(22)9-5-15/h4-13H,3H2,1-2H3,(H,23,24)
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n/an/an/an/a 380n/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Type-1 positive allosteric modulation of human alpha7 nAChR expressed in Xenopus oocytes assessed as maximum modulation of nicotine EC5 response by t...


J Med Chem 56: 8352-65 (2013)


Article DOI: 10.1021/jm400704g
BindingDB Entry DOI: 10.7270/Q29P3331
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50441951
PNG
(CHEMBL2440120)
Show SMILES CCOc1ccc(cc1)-c1cnc(NC)c(c1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H19FN2O2/c1-3-26-18-10-6-14(7-11-18)16-12-19(21(23-2)24-13-16)20(25)15-4-8-17(22)9-5-15/h4-13H,3H2,1-2H3,(H,23,24)
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n/an/an/an/a 1.90E+3n/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Type-1 positive allosteric modulation of human alpha7 nAChR expressed in Xenopus oocytes assessed as maximum modulation of nicotine EC5 response by t...


J Med Chem 56: 8352-65 (2013)


Article DOI: 10.1021/jm400704g
BindingDB Entry DOI: 10.7270/Q29P3331
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50441947
PNG
(CHEMBL2440307)
Show SMILES CCCNc1ncc(cc1C(=O)c1ccc(F)cc1)-c1ccc(OCC)cc1
Show InChI InChI=1S/C23H23FN2O2/c1-3-13-25-23-21(22(27)17-5-9-19(24)10-6-17)14-18(15-26-23)16-7-11-20(12-8-16)28-4-2/h5-12,14-15H,3-4,13H2,1-2H3,(H,25,26)
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n/an/an/an/a 130n/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Type-1 positive allosteric modulation of human alpha7 nAChR expressed in Xenopus oocytes assessed as maximum modulation of nicotine EC5 response by t...


J Med Chem 56: 8352-65 (2013)


Article DOI: 10.1021/jm400704g
BindingDB Entry DOI: 10.7270/Q29P3331
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50441946
PNG
(CHEMBL2440308)
Show SMILES CCCNc1ncc(cc1C(=O)c1cccc(F)c1)-c1ccc(OCC)cc1
Show InChI InChI=1S/C23H23FN2O2/c1-3-12-25-23-21(22(27)17-6-5-7-19(24)13-17)14-18(15-26-23)16-8-10-20(11-9-16)28-4-2/h5-11,13-15H,3-4,12H2,1-2H3,(H,25,26)
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n/an/an/an/a 450n/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Type-1 positive allosteric modulation of human alpha7 nAChR expressed in Xenopus oocytes assessed as maximum modulation of nicotine EC5 response by t...


J Med Chem 56: 8352-65 (2013)


Article DOI: 10.1021/jm400704g
BindingDB Entry DOI: 10.7270/Q29P3331
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50441945
PNG
(CHEMBL2440310)
Show SMILES CCCNc1ncc(cc1C(=O)c1ccc(F)c(F)c1)-c1ccc(OCC)cc1
Show InChI InChI=1S/C23H22F2N2O2/c1-3-11-26-23-19(22(28)16-7-10-20(24)21(25)13-16)12-17(14-27-23)15-5-8-18(9-6-15)29-4-2/h5-10,12-14H,3-4,11H2,1-2H3,(H,26,27)
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n/an/an/an/a 180n/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Type-1 positive allosteric modulation of human alpha7 nAChR expressed in Xenopus oocytes assessed as maximum modulation of nicotine EC5 response by t...


J Med Chem 56: 8352-65 (2013)


Article DOI: 10.1021/jm400704g
BindingDB Entry DOI: 10.7270/Q29P3331
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50441944
PNG
(CHEMBL2440311)
Show SMILES CCCNc1ncc(cc1C(=O)c1cc(F)ccc1F)-c1ccc(OCC)cc1
Show InChI InChI=1S/C23H22F2N2O2/c1-3-11-26-23-20(22(28)19-13-17(24)7-10-21(19)25)12-16(14-27-23)15-5-8-18(9-6-15)29-4-2/h5-10,12-14H,3-4,11H2,1-2H3,(H,26,27)
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n/an/an/an/a 3.00E+3n/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Type-1 positive allosteric modulation of human alpha7 nAChR expressed in Xenopus oocytes assessed as maximum modulation of nicotine EC5 response by t...


J Med Chem 56: 8352-65 (2013)


Article DOI: 10.1021/jm400704g
BindingDB Entry DOI: 10.7270/Q29P3331
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50441943
PNG
(CHEMBL2440313)
Show SMILES CCCNc1ncc(cc1C(=O)c1ccccc1)-c1ccc(OCC)cc1
Show InChI InChI=1S/C23H24N2O2/c1-3-14-24-23-21(22(26)18-8-6-5-7-9-18)15-19(16-25-23)17-10-12-20(13-11-17)27-4-2/h5-13,15-16H,3-4,14H2,1-2H3,(H,24,25)
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n/an/an/an/a 210n/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Type-1 positive allosteric modulation of human alpha7 nAChR expressed in Xenopus oocytes assessed as maximum modulation of nicotine EC5 response by t...


J Med Chem 56: 8352-65 (2013)


Article DOI: 10.1021/jm400704g
BindingDB Entry DOI: 10.7270/Q29P3331
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50441942
PNG
(CHEMBL2440317)
Show SMILES CCCNc1ncc(cc1C(=O)c1ccc(F)cc1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H23FN2O2/c1-2-16-29-27-25(26(31)20-8-12-22(28)13-9-20)17-21(18-30-27)19-10-14-24(15-11-19)32-23-6-4-3-5-7-23/h3-15,17-18H,2,16H2,1H3,(H,29,30)
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n/an/an/an/a 560n/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Type-1 positive allosteric modulation of human alpha7 nAChR expressed in Xenopus oocytes assessed as maximum modulation of nicotine EC5 response by t...


J Med Chem 56: 8352-65 (2013)


Article DOI: 10.1021/jm400704g
BindingDB Entry DOI: 10.7270/Q29P3331
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50441941
PNG
(CHEMBL2440319)
Show SMILES CCCNc1ncc(cc1C(=O)c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H18F2N2O/c1-2-11-24-21-19(20(26)15-5-9-18(23)10-6-15)12-16(13-25-21)14-3-7-17(22)8-4-14/h3-10,12-13H,2,11H2,1H3,(H,24,25)
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n/an/an/an/a 220n/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Type-1 positive allosteric modulation of human alpha7 nAChR expressed in Xenopus oocytes assessed as maximum modulation of nicotine EC5 response by t...


J Med Chem 56: 8352-65 (2013)


Article DOI: 10.1021/jm400704g
BindingDB Entry DOI: 10.7270/Q29P3331
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50441940
PNG
(CHEMBL2440320)
Show SMILES CCOc1ccc(cc1)-c1cnc(NC)c(c1)C(=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C21H18F2N2O2/c1-3-27-16-7-4-13(5-8-16)15-10-17(21(24-2)25-12-15)20(26)14-6-9-18(22)19(23)11-14/h4-12H,3H2,1-2H3,(H,24,25)
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n/an/an/an/a 1.20E+3n/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Type-1 positive allosteric modulation of human alpha7 nAChR expressed in Xenopus oocytes assessed as maximum modulation of nicotine EC5 response by t...


J Med Chem 56: 8352-65 (2013)


Article DOI: 10.1021/jm400704g
BindingDB Entry DOI: 10.7270/Q29P3331
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50441939
PNG
(CHEMBL2440321)
Show SMILES CCNc1ncc(cc1C(=O)c1ccc(F)c(F)c1)-c1ccc(OCC)cc1
Show InChI InChI=1S/C22H20F2N2O2/c1-3-25-22-18(21(27)15-7-10-19(23)20(24)12-15)11-16(13-26-22)14-5-8-17(9-6-14)28-4-2/h5-13H,3-4H2,1-2H3,(H,25,26)
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n/an/an/an/a 4.90E+3n/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Type-1 positive allosteric modulation of human alpha7 nAChR expressed in Xenopus oocytes assessed as maximum modulation of nicotine EC5 response by t...


J Med Chem 56: 8352-65 (2013)


Article DOI: 10.1021/jm400704g
BindingDB Entry DOI: 10.7270/Q29P3331
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50373060
PNG
(CHEMBL257155)
Show SMILES CCOC(=O)C(C=Nc1ccc(OCC)cc1)C(=O)c1ccccc1Cl |w:6.5|
Show InChI InChI=1S/C20H20ClNO4/c1-3-25-15-11-9-14(10-12-15)22-13-17(20(24)26-4-2)19(23)16-7-5-6-8-18(16)21/h5-13,17H,3-4H2,1-2H3
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n/an/an/an/a 200n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human GABAA alpha-2-beta-3-gamma-2L receptor expressed in Xenopus oocytes assessed as modulation of nicotine-induced current by two-ele...


Proc Natl Acad Sci USA 104: 8059-64 (2007)


Article DOI: 10.1073/pnas.0701321104
BindingDB Entry DOI: 10.7270/Q2NS0VS3
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50373059
PNG
(CHEMBL429317)
Show SMILES Cc1cc(on1)C(C=Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 |w:7.7|
Show InChI InChI=1S/C19H15Cl2N3O2/c1-12-10-18(26-24-12)17(11-22-15-6-2-13(20)3-7-15)19(25)23-16-8-4-14(21)5-9-16/h2-11,17H,1H3,(H,23,25)
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n/an/an/an/a 6.30E+3n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human GABAA alpha-2-beta-3-gamma-2L receptor expressed in Xenopus oocytes assessed as modulation of GABA-induced current by two-electro...


Proc Natl Acad Sci USA 104: 8059-64 (2007)


Article DOI: 10.1073/pnas.0701321104
BindingDB Entry DOI: 10.7270/Q2NS0VS3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50373060
PNG
(CHEMBL257155)
Show SMILES CCOC(=O)C(C=Nc1ccc(OCC)cc1)C(=O)c1ccccc1Cl |w:6.5|
Show InChI InChI=1S/C20H20ClNO4/c1-3-25-15-11-9-14(10-12-15)22-13-17(20(24)26-4-2)19(23)16-7-5-6-8-18(16)21/h5-13,17H,3-4H2,1-2H3
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n/an/an/an/a 1.80E+3n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human alpha-7 nAChR expressed in Xenopus oocytes assessed as modulation of nicotine-induced current by two-electrode voltage-clamp meth...


Proc Natl Acad Sci USA 104: 8059-64 (2007)


Article DOI: 10.1073/pnas.0701321104
BindingDB Entry DOI: 10.7270/Q2NS0VS3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50373059
PNG
(CHEMBL429317)
Show SMILES Cc1cc(on1)C(C=Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 |w:7.7|
Show InChI InChI=1S/C19H15Cl2N3O2/c1-12-10-18(26-24-12)17(11-22-15-6-2-13(20)3-7-15)19(25)23-16-8-4-14(21)5-9-16/h2-11,17H,1H3,(H,23,25)
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n/an/an/an/a 500n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human alpha-7 nAChR expressed in Xenopus oocytes assessed as modulation of nicotine-induced current by two-electrode voltage-clamp meth...


Proc Natl Acad Sci USA 104: 8059-64 (2007)


Article DOI: 10.1073/pnas.0701321104
BindingDB Entry DOI: 10.7270/Q2NS0VS3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50373059
PNG
(CHEMBL429317)
Show SMILES Cc1cc(on1)C(C=Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 |w:7.7|
Show InChI InChI=1S/C19H15Cl2N3O2/c1-12-10-18(26-24-12)17(11-22-15-6-2-13(20)3-7-15)19(25)23-16-8-4-14(21)5-9-16/h2-11,17H,1H3,(H,23,25)
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n/an/an/an/a 600n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human alpha-7 nAChR expressed in Xenopus oocytes assessed as modulation of choline-induced current by two-electrode voltage-clamp metho...


Proc Natl Acad Sci USA 104: 8059-64 (2007)


Article DOI: 10.1073/pnas.0701321104
BindingDB Entry DOI: 10.7270/Q2NS0VS3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50373059
PNG
(CHEMBL429317)
Show SMILES Cc1cc(on1)C(C=Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 |w:7.7|
Show InChI InChI=1S/C19H15Cl2N3O2/c1-12-10-18(26-24-12)17(11-22-15-6-2-13(20)3-7-15)19(25)23-16-8-4-14(21)5-9-16/h2-11,17H,1H3,(H,23,25)
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n/an/an/an/a 700n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Activation of human alpha-7 nAChR expressed in Xenopus oocytes assessed as modulation of acetyl choline -induced current by two-electrode voltage-cla...


Proc Natl Acad Sci USA 104: 8059-64 (2007)


Article DOI: 10.1073/pnas.0701321104
BindingDB Entry DOI: 10.7270/Q2NS0VS3
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50369240
PNG
(GANAXOLONE)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C22H36O2/c1-14(23)17-7-8-18-16-6-5-15-13-20(2,24)11-12-21(15,3)19(16)9-10-22(17,18)4/h15-19,24H,5-13H2,1-4H3/t15-,16-,17+,18-,19-,20+,21-,22+/m0/s1
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n/an/an/an/a 260n/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Potentiation of GABA-activated currents in Xenopus oocytes expressing cloned human alpha-1-beta-2-gamma-2L subunits of GABA-A receptor


J Med Chem 40: 61-72 (1997)


Article DOI: 10.1021/jm960021x
BindingDB Entry DOI: 10.7270/Q2M0463J
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50055919
PNG
(1-((3R,5S,10S,13S,17S)-3-Azidomethyl-3-hydroxy-10,...)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@](O)(CN=[N+]=[N-])CC[C@]12C
Show InChI InChI=1S/C22H35N3O2/c1-14(26)17-6-7-18-16-5-4-15-12-22(27,13-24-25-23)11-10-20(15,2)19(16)8-9-21(17,18)3/h15-19,27H,4-13H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+,22+/m0/s1
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n/an/an/an/a 150n/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Potentiation of GABA-activated currents in Xenopus oocytes expressing cloned human alpha-1-beta-2-gamma-2L subunits of GABA-A receptor


J Med Chem 40: 61-72 (1997)


Article DOI: 10.1021/jm960021x
BindingDB Entry DOI: 10.7270/Q2M0463J
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50191342
PNG
(3alpha-hydroxy-5alpha-pregnan-20-one | CHEMBL20753...)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
Show InChI InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1
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n/an/an/an/a 160n/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Potentiation of GABA-activated currents in Xenopus oocytes expressing cloned human alpha-1-beta-2-gamma-2L subunits of GABA-A receptor


J Med Chem 40: 61-72 (1997)


Article DOI: 10.1021/jm960021x
BindingDB Entry DOI: 10.7270/Q2M0463J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50215531
PNG
(2-chloro-alpha-[[(4-chlorophenyl)amino]methylene]-...)
Show SMILES CC(C)NC(=O)C(C=Nc1ccc(Cl)cc1)C(=O)c1ccccc1Cl |w:7.6|
Show InChI InChI=1S/C19H18Cl2N2O2/c1-12(2)23-19(25)16(11-22-14-9-7-13(20)8-10-14)18(24)15-5-3-4-6-17(15)21/h3-12,16H,1-2H3,(H,23,25)
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n/an/an/an/a 34n/an/an/an/a



University of California-Irvine

Curated by ChEMBL


Assay Description
Activity at human GABAA alpha-1-beta-2-gamma-2L expressed in Xenopus oocytes assessed as potentiation of GABA currents


J Med Chem 50: 3369-79 (2007)


Article DOI: 10.1021/jm070083v
BindingDB Entry DOI: 10.7270/Q2K35TB7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50441952
PNG
(CHEMBL2440297)
Show SMILES CCOc1ccc(cc1)-c1cnc(N)c(c1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H17ClN2O2/c1-2-25-17-9-5-13(6-10-17)15-11-18(20(22)23-12-15)19(24)14-3-7-16(21)8-4-14/h3-12H,2H2,1H3,(H2,22,23)
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n/an/an/an/a 2.50E+3n/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Type-1 positive allosteric modulation of human alpha7 nAChR expressed in Xenopus oocytes assessed as maximum modulation of nicotine EC5 response by t...


J Med Chem 56: 8352-65 (2013)


Article DOI: 10.1021/jm400704g
BindingDB Entry DOI: 10.7270/Q29P3331
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50454517
PNG
(CHEMBL3137984)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@@](O)(CN(C)C)CC[C@]12C
Show InChI InChI=1S/C24H41NO2/c1-16(26)19-8-9-20-18-7-6-17-14-24(27,15-25(4)5)13-12-22(17,2)21(18)10-11-23(19,20)3/h17-21,27H,6-15H2,1-5H3/t17-,18-,19+,20-,21-,22-,23+,24+/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Potentiation of GABA-activated currents in Xenopus oocytes expressing cloned human alpha-1-beta-2-gamma-2L subunits of GABA-A receptor


J Med Chem 40: 61-72 (1997)


Article DOI: 10.1021/jm960021x
BindingDB Entry DOI: 10.7270/Q2M0463J
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50454499
PNG
(CHEMBL3137990)
Show SMILES [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@](O)(CC[C@]12C)C(F)(F)F
Show InChI InChI=1S/C22H33F3O2/c1-13(26)16-6-7-17-15-5-4-14-12-21(27,22(23,24)25)11-10-19(14,2)18(15)8-9-20(16,17)3/h14-18,27H,4-12H2,1-3H3/t14-,15-,16+,17-,18-,19-,20+,21+/m0/s1
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n/an/an/an/a 390n/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Potentiation of GABA-activated currents in Xenopus oocytes expressing cloned human alpha-1-beta-2-gamma-2L subunits of GABA-A receptor


J Med Chem 40: 61-72 (1997)


Article DOI: 10.1021/jm960021x
BindingDB Entry DOI: 10.7270/Q2M0463J
More data for this
Ligand-Target Pair