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Compile Data Set for Download or QSAR

Found 57 hits of ec50 data for polymerid = 49000543,50001801,5521   
Target
(Institution)
LigandTarget
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
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM26267
PNG
(RO-154513 | Ro15-4513 | [3H]Ro15-4513 | ethyl 12-a...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-]
Show InChI InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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Article
PubMed
n/an/an/an/a 1.10n/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Activity at rat wild type GABAA alpha1beta2gamma2 receptor expressed in xenopus oocytes assessed as GABA-elicited response by two electrode voltage c...


Citation and Details
More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50120809
PNG
(8-Benzyl-2-phenyl-6,7,8,9-tetrahydro-5H-1,3a,5,8-t...)
Show SMILES O=c1[nH]c2CCN(Cc3ccccc3)Cc2c2nc(cn12)-c1ccccc1
Show InChI InChI=1S/C22H20N4O/c27-22-24-19-11-12-25(13-16-7-3-1-4-8-16)14-18(19)21-23-20(15-26(21)22)17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H,24,27)
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n/an/an/an/a 17n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50120783
PNG
(8-Benzyl-2-(2-fluoro-phenyl)-6,7,8,9-tetrahydro-5H...)
Show SMILES Fc1ccccc1-c1cn2c(n1)c1CN(Cc3ccccc3)CCc1[nH]c2=O
Show InChI InChI=1S/C22H19FN4O/c23-18-9-5-4-8-16(18)20-14-27-21(24-20)17-13-26(11-10-19(17)25-22(27)28)12-15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,25,28)
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n/an/an/an/a 18n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2


(HUMAN)
BDBM50120783
PNG
(8-Benzyl-2-(2-fluoro-phenyl)-6,7,8,9-tetrahydro-5H...)
Show SMILES Fc1ccccc1-c1cn2c(n1)c1CN(Cc3ccccc3)CCc1[nH]c2=O
Show InChI InChI=1S/C22H19FN4O/c23-18-9-5-4-8-16(18)20-14-27-21(24-20)17-13-26(11-10-19(17)25-22(27)28)12-15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,25,28)
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n/an/an/an/a 20n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 3


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2


(HUMAN)
BDBM50120782
PNG
(2-(2-Fluoro-phenyl)-8-pyridin-3-ylmethyl-6,7,8,9-t...)
Show SMILES Fc1ccccc1-c1cn2c(n1)c1CN(Cc3cccnc3)CCc1[nH]c2=O
Show InChI InChI=1S/C21H18FN5O/c22-17-6-2-1-5-15(17)19-13-27-20(24-19)16-12-26(9-7-18(16)25-21(27)28)11-14-4-3-8-23-10-14/h1-6,8,10,13H,7,9,11-12H2,(H,25,28)
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n/an/an/an/a 23n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 3


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50120812
PNG
(8-Benzyl-2-(4-methoxy-phenyl)-6,7,8,9-tetrahydro-5...)
Show SMILES COc1ccc(cc1)-c1cn2c(n1)c1CN(Cc3ccccc3)CCc1[nH]c2=O
Show InChI InChI=1S/C23H22N4O2/c1-29-18-9-7-17(8-10-18)21-15-27-22(24-21)19-14-26(12-11-20(19)25-23(27)28)13-16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H,25,28)
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n/an/an/an/a 28n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2


(HUMAN)
BDBM50120775
PNG
(2-(2-Fluoro-phenyl)-8-pyridin-4-ylmethyl-6,7,8,9-t...)
Show SMILES Fc1ccccc1-c1cn2c(n1)c1CN(Cc3ccncc3)CCc1[nH]c2=O
Show InChI InChI=1S/C21H18FN5O/c22-17-4-2-1-3-15(17)19-13-27-20(24-19)16-12-26(10-7-18(16)25-21(27)28)11-14-5-8-23-9-6-14/h1-6,8-9,13H,7,10-12H2,(H,25,28)
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n/an/an/an/a 33n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 3


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50120790
PNG
(8-Benzyl-2-(2,5-difluoro-phenyl)-6,7,8,9-tetrahydr...)
Show SMILES Fc1ccc(F)c(c1)-c1cn2c(n1)c1CN(Cc3ccccc3)CCc1[nH]c2=O
Show InChI InChI=1S/C22H18F2N4O/c23-15-6-7-18(24)16(10-15)20-13-28-21(25-20)17-12-27(9-8-19(17)26-22(28)29)11-14-4-2-1-3-5-14/h1-7,10,13H,8-9,11-12H2,(H,26,29)
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n/an/an/an/a 36n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50001728
PNG
(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Show SMILES Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12
Show InChI InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
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n/an/an/an/a 37n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50120779
PNG
(8-(4-Fluoro-benzoyl)-2-(2-fluoro-phenyl)-6,7,8,9-t...)
Show SMILES Fc1ccc(cc1)C(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F
Show InChI InChI=1S/C22H16F2N4O2/c23-14-7-5-13(6-8-14)21(29)27-10-9-18-16(11-27)20-25-19(12-28(20)22(30)26-18)15-3-1-2-4-17(15)24/h1-8,12H,9-11H2,(H,26,30)
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n/an/an/an/a 41n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50120775
PNG
(2-(2-Fluoro-phenyl)-8-pyridin-4-ylmethyl-6,7,8,9-t...)
Show SMILES Fc1ccccc1-c1cn2c(n1)c1CN(Cc3ccncc3)CCc1[nH]c2=O
Show InChI InChI=1S/C21H18FN5O/c22-17-4-2-1-3-15(17)19-13-27-20(24-19)16-12-26(10-7-18(16)25-21(27)28)11-14-5-8-23-9-6-14/h1-6,8-9,13H,7,10-12H2,(H,25,28)
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n/an/an/an/a 53n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50120782
PNG
(2-(2-Fluoro-phenyl)-8-pyridin-3-ylmethyl-6,7,8,9-t...)
Show SMILES Fc1ccccc1-c1cn2c(n1)c1CN(Cc3cccnc3)CCc1[nH]c2=O
Show InChI InChI=1S/C21H18FN5O/c22-17-6-2-1-5-15(17)19-13-27-20(24-19)16-12-26(9-7-18(16)25-21(27)28)11-14-4-3-8-23-10-14/h1-6,8,10,13H,7,9,11-12H2,(H,25,28)
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n/an/an/an/a 56n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2


(HUMAN)
BDBM50120777
PNG
(8-(3-Fluoro-benzoyl)-2-(2-fluoro-phenyl)-6,7,8,9-t...)
Show SMILES Fc1cccc(c1)C(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F
Show InChI InChI=1S/C22H16F2N4O2/c23-14-5-3-4-13(10-14)21(29)27-9-8-18-16(11-27)20-25-19(12-28(20)22(30)26-18)15-6-1-2-7-17(15)24/h1-7,10,12H,8-9,11H2,(H,26,30)
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n/an/an/an/a 65n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 3


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50120777
PNG
(8-(3-Fluoro-benzoyl)-2-(2-fluoro-phenyl)-6,7,8,9-t...)
Show SMILES Fc1cccc(c1)C(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F
Show InChI InChI=1S/C22H16F2N4O2/c23-14-5-3-4-13(10-14)21(29)27-9-8-18-16(11-27)20-25-19(12-28(20)22(30)26-18)15-6-1-2-7-17(15)24/h1-7,10,12H,8-9,11H2,(H,26,30)
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n/an/an/an/a 69n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2


(HUMAN)
BDBM50001728
PNG
(8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,...)
Show SMILES Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12
Show InChI InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
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n/an/an/an/a 69n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 3


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2


(HUMAN)
BDBM50120785
PNG
(8-Acetyl-2-(2-fluoro-phenyl)-6,7,8,9-tetrahydro-5H...)
Show SMILES CC(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F
Show InChI InChI=1S/C17H15FN4O2/c1-10(23)21-7-6-14-12(8-21)16-19-15(9-22(16)17(24)20-14)11-4-2-3-5-13(11)18/h2-5,9H,6-8H2,1H3,(H,20,24)
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n/an/an/an/a 71n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 3


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50120786
PNG
(8-Benzyl-2-(3-methoxy-phenyl)-6,7,8,9-tetrahydro-5...)
Show SMILES COc1cccc(c1)-c1cn2c(n1)c1CN(Cc3ccccc3)CCc1[nH]c2=O
Show InChI InChI=1S/C23H22N4O2/c1-29-18-9-5-8-17(12-18)21-15-27-22(24-21)19-14-26(11-10-20(19)25-23(27)28)13-16-6-3-2-4-7-16/h2-9,12,15H,10-11,13-14H2,1H3,(H,25,28)
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n/an/an/an/a 81n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50120776
PNG
(8-Benzyl-2-(2,4-difluoro-phenyl)-6,7,8,9-tetrahydr...)
Show SMILES Fc1ccc(-c2cn3c(n2)c2CN(Cc4ccccc4)CCc2[nH]c3=O)c(F)c1
Show InChI InChI=1S/C22H18F2N4O/c23-15-6-7-16(18(24)10-15)20-13-28-21(25-20)17-12-27(9-8-19(17)26-22(28)29)11-14-4-2-1-3-5-14/h1-7,10,13H,8-9,11-12H2,(H,26,29)
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n/an/an/an/a 92n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50120773
PNG
(8-(2-Fluoro-benzoyl)-2-(2-fluoro-phenyl)-6,7,8,9-t...)
Show SMILES Fc1ccccc1C(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F
Show InChI InChI=1S/C22H16F2N4O2/c23-16-7-3-1-5-13(16)19-12-28-20(25-19)15-11-27(10-9-18(15)26-22(28)30)21(29)14-6-2-4-8-17(14)24/h1-8,12H,9-11H2,(H,26,30)
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n/an/an/an/a 93n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50120772
PNG
(2-(2-Fluoro-phenyl)-8-propionyl-6,7,8,9-tetrahydro...)
Show SMILES CCC(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F
Show InChI InChI=1S/C18H17FN4O2/c1-2-16(24)22-8-7-14-12(9-22)17-20-15(10-23(17)18(25)21-14)11-5-3-4-6-13(11)19/h3-6,10H,2,7-9H2,1H3,(H,21,25)
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n/an/an/an/a 95n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50120794
PNG
(2-(2-Fluoro-phenyl)-8-thiophen-2-ylmethyl-6,7,8,9-...)
Show SMILES Fc1ccccc1-c1cn2c(n1)c1CN(Cc3cccs3)CCc1[nH]c2=O
Show InChI InChI=1S/C20H17FN4OS/c21-16-6-2-1-5-14(16)18-12-25-19(22-18)15-11-24(10-13-4-3-9-27-13)8-7-17(15)23-20(25)26/h1-6,9,12H,7-8,10-11H2,(H,23,26)
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n/an/an/an/a 107n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2


(HUMAN)
BDBM50120772
PNG
(2-(2-Fluoro-phenyl)-8-propionyl-6,7,8,9-tetrahydro...)
Show SMILES CCC(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F
Show InChI InChI=1S/C18H17FN4O2/c1-2-16(24)22-8-7-14-12(9-22)17-20-15(10-23(17)18(25)21-14)11-5-3-4-6-13(11)19/h3-6,10H,2,7-9H2,1H3,(H,21,25)
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n/an/an/an/a 116n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 3


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2


(HUMAN)
BDBM50120801
PNG
(2-(2-Fluoro-phenyl)-8-pyrimidin-2-yl-6,7,8,9-tetra...)
Show SMILES Fc1ccccc1-c1cn2c(n1)c1CN(CCc1[nH]c2=O)c1ncccn1
Show InChI InChI=1S/C19H15FN6O/c20-14-5-2-1-4-12(14)16-11-26-17(23-16)13-10-25(18-21-7-3-8-22-18)9-6-15(13)24-19(26)27/h1-5,7-8,11H,6,9-10H2,(H,24,27)
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n/an/an/an/a 117n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 3


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50120798
PNG
(2-(2-Fluoro-phenyl)-8-(3H-imidazol-4-ylmethyl)-6,7...)
Show SMILES Fc1ccccc1-c1cn2c(n1)c1CN(Cc3cnc[nH]3)CCc1[nH]c2=O
Show InChI InChI=1S/C19H17FN6O/c20-15-4-2-1-3-13(15)17-10-26-18(23-17)14-9-25(8-12-7-21-11-22-12)6-5-16(14)24-19(26)27/h1-4,7,10-11H,5-6,8-9H2,(H,21,22)(H,24,27)
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n/an/an/an/a 118n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2


(HUMAN)
BDBM50120795
PNG
(2-(2-Fluoro-phenyl)-8-(2-methyl-benzoyl)-6,7,8,9-t...)
Show SMILES Cc1ccccc1C(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F
Show InChI InChI=1S/C23H19FN4O2/c1-14-6-2-3-7-15(14)22(29)27-11-10-19-17(12-27)21-25-20(13-28(21)23(30)26-19)16-8-4-5-9-18(16)24/h2-9,13H,10-12H2,1H3,(H,26,30)
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n/an/an/an/a 119n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 3


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50120781
PNG
(8-Benzyl-2-(3-fluoro-phenyl)-6,7,8,9-tetrahydro-5H...)
Show SMILES Fc1cccc(c1)-c1cn2c(n1)c1CN(Cc3ccccc3)CCc1[nH]c2=O
Show InChI InChI=1S/C22H19FN4O/c23-17-8-4-7-16(11-17)20-14-27-21(24-20)18-13-26(10-9-19(18)25-22(27)28)12-15-5-2-1-3-6-15/h1-8,11,14H,9-10,12-13H2,(H,25,28)
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n/an/an/an/a 120n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50120791
PNG
(8-Cyclohexylmethyl-2-(2-fluoro-phenyl)-6,7,8,9-tet...)
Show SMILES Fc1ccccc1-c1cn2c(n1)c1CN(CC3CCCCC3)CCc1[nH]c2=O
Show InChI InChI=1S/C22H25FN4O/c23-18-9-5-4-8-16(18)20-14-27-21(24-20)17-13-26(11-10-19(17)25-22(27)28)12-15-6-2-1-3-7-15/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,25,28)
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n/an/an/an/a 127n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50120799
PNG
(8-(3,4-Difluoro-benzoyl)-2-(2-fluoro-phenyl)-6,7,8...)
Show SMILES Fc1ccc(cc1F)C(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F
Show InChI InChI=1S/C22H15F3N4O2/c23-15-4-2-1-3-13(15)19-11-29-20(26-19)14-10-28(8-7-18(14)27-22(29)31)21(30)12-5-6-16(24)17(25)9-12/h1-6,9,11H,7-8,10H2,(H,27,31)
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n/an/an/an/a 133n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50120793
PNG
(8-Cyclopropylmethyl-2-(2-fluoro-phenyl)-6,7,8,9-te...)
Show SMILES Fc1ccccc1-c1cn2c(n1)c1CN(CC3CC3)CCc1[nH]c2=O
Show InChI InChI=1S/C19H19FN4O/c20-15-4-2-1-3-13(15)17-11-24-18(21-17)14-10-23(9-12-5-6-12)8-7-16(14)22-19(24)25/h1-4,11-12H,5-10H2,(H,22,25)
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n/an/an/an/a 135n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50120789
PNG
(8-Benzyl-2-(4-fluoro-phenyl)-6,7,8,9-tetrahydro-5H...)
Show SMILES Fc1ccc(cc1)-c1cn2c(n1)c1CN(Cc3ccccc3)CCc1[nH]c2=O
Show InChI InChI=1S/C22H19FN4O/c23-17-8-6-16(7-9-17)20-14-27-21(24-20)18-13-26(11-10-19(18)25-22(27)28)12-15-4-2-1-3-5-15/h1-9,14H,10-13H2,(H,25,28)
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n/an/an/an/a 136n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2


(HUMAN)
BDBM50120799
PNG
(8-(3,4-Difluoro-benzoyl)-2-(2-fluoro-phenyl)-6,7,8...)
Show SMILES Fc1ccc(cc1F)C(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F
Show InChI InChI=1S/C22H15F3N4O2/c23-15-4-2-1-3-13(15)19-11-29-20(26-19)14-10-28(8-7-18(14)27-22(29)31)21(30)12-5-6-16(24)17(25)9-12/h1-6,9,11H,7-8,10H2,(H,27,31)
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n/an/an/an/a 148n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 3


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50120805
PNG
(2-(2-Fluoro-phenyl)-8-propenyl-6,7,8,9-tetrahydro-...)
Show SMILES Fc1ccccc1-c1cn2c(n1)c1CN(CC=C)CCc1[nH]c2=O
Show InChI InChI=1S/C18H17FN4O/c1-2-8-22-9-7-15-13(10-22)17-20-16(11-23(17)18(24)21-15)12-5-3-4-6-14(12)19/h2-6,11H,1,7-10H2,(H,21,24)
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n/an/an/an/a 170n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
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n/an/an/an/a 191n/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Activity at rat wild type GABAA alpha1beta2gamma2 receptor expressed in xenopus oocytes assessed as GABA-elicited response by two electrode voltage c...


Citation and Details
More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50120771
PNG
(8-Benzyl-2-(2-thiophen-2-yl-phenyl)-6,7,8,9-tetrah...)
Show SMILES O=c1[nH]c2CCN(Cc3ccccc3)Cc2c2nc(cn12)-c1ccccc1-c1cccs1
Show InChI InChI=1S/C26H22N4OS/c31-26-28-22-12-13-29(15-18-7-2-1-3-8-18)16-21(22)25-27-23(17-30(25)26)19-9-4-5-10-20(19)24-11-6-14-32-24/h1-11,14,17H,12-13,15-16H2,(H,28,31)
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n/an/an/an/a 208n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2


(HUMAN)
BDBM50120791
PNG
(8-Cyclohexylmethyl-2-(2-fluoro-phenyl)-6,7,8,9-tet...)
Show SMILES Fc1ccccc1-c1cn2c(n1)c1CN(CC3CCCCC3)CCc1[nH]c2=O
Show InChI InChI=1S/C22H25FN4O/c23-18-9-5-4-8-16(18)20-14-27-21(24-20)17-13-26(11-10-19(17)25-22(27)28)12-15-6-2-1-3-7-15/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,25,28)
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n/an/an/an/a 213n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 3


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2


(HUMAN)
BDBM50120773
PNG
(8-(2-Fluoro-benzoyl)-2-(2-fluoro-phenyl)-6,7,8,9-t...)
Show SMILES Fc1ccccc1C(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F
Show InChI InChI=1S/C22H16F2N4O2/c23-16-7-3-1-5-13(16)19-12-28-20(25-19)15-11-27(10-9-18(15)26-22(28)30)21(29)14-6-2-4-8-17(14)24/h1-8,12H,9-11H2,(H,26,30)
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n/an/an/an/a 242n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 3


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50242613
PNG
(8-Isothiocyanato-5-methyl-6-oxo-5,6-dihydro-4H-2,5...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=C=S
Show InChI InChI=1S/C16H14N4O3S/c1-3-23-16(22)14-13-7-19(2)15(21)11-6-10(18-9-24)4-5-12(11)20(13)8-17-14/h4-6,8H,3,7H2,1-2H3
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n/an/an/an/a 250n/an/an/an/a



University of Bern

Curated by ChEMBL


Assay Description
Activity at rat wild type GABAA alpha1beta2gamma2 receptor expressed in xenopus oocytes assessed as GABA-elicited response by two electrode voltage c...


Citation and Details
More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50120788
PNG
(8-Butyl-2-(2-fluoro-phenyl)-6,7,8,9-tetrahydro-5H-...)
Show SMILES CCCCN1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F
Show InChI InChI=1S/C19H21FN4O/c1-2-3-9-23-10-8-16-14(11-23)18-21-17(12-24(18)19(25)22-16)13-6-4-5-7-15(13)20/h4-7,12H,2-3,8-11H2,1H3,(H,22,25)
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2


(HUMAN)
BDBM50120808
PNG
(2-(2-Fluoro-phenyl)-8-(4-methyl-benzoyl)-6,7,8,9-t...)
Show SMILES Cc1ccc(cc1)C(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F
Show InChI InChI=1S/C23H19FN4O2/c1-14-6-8-15(9-7-14)22(29)27-11-10-19-17(12-27)21-25-20(13-28(21)23(30)26-19)16-4-2-3-5-18(16)24/h2-9,13H,10-12H2,1H3,(H,26,30)
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 3


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50120792
PNG
(8-Benzyl-2-p-tolyl-6,7,8,9-tetrahydro-5H-1,3a,5,8-...)
Show SMILES Cc1ccc(cc1)-c1cn2c(n1)c1CN(Cc3ccccc3)CCc1[nH]c2=O
Show InChI InChI=1S/C23H22N4O/c1-16-7-9-18(10-8-16)21-15-27-22(24-21)19-14-26(12-11-20(19)25-23(27)28)13-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H,25,28)
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50120808
PNG
(2-(2-Fluoro-phenyl)-8-(4-methyl-benzoyl)-6,7,8,9-t...)
Show SMILES Cc1ccc(cc1)C(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F
Show InChI InChI=1S/C23H19FN4O2/c1-14-6-8-15(9-7-14)22(29)27-11-10-19-17(12-27)21-25-20(13-28(21)23(30)26-19)16-4-2-3-5-18(16)24/h2-9,13H,10-12H2,1H3,(H,26,30)
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n/an/an/an/a 303n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2


(HUMAN)
BDBM50120805
PNG
(2-(2-Fluoro-phenyl)-8-propenyl-6,7,8,9-tetrahydro-...)
Show SMILES Fc1ccccc1-c1cn2c(n1)c1CN(CC=C)CCc1[nH]c2=O
Show InChI InChI=1S/C18H17FN4O/c1-2-8-22-9-7-15-13(10-22)17-20-16(11-23(17)18(24)21-15)12-5-3-4-6-14(12)19/h2-6,11H,1,7-10H2,(H,21,24)
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 3


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2


(HUMAN)
BDBM50120794
PNG
(2-(2-Fluoro-phenyl)-8-thiophen-2-ylmethyl-6,7,8,9-...)
Show SMILES Fc1ccccc1-c1cn2c(n1)c1CN(Cc3cccs3)CCc1[nH]c2=O
Show InChI InChI=1S/C20H17FN4OS/c21-16-6-2-1-5-14(16)18-12-25-19(22-18)15-11-24(10-13-4-3-9-27-13)8-7-17(15)23-20(25)26/h1-6,9,12H,7-8,10-11H2,(H,23,26)
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 3


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2


(HUMAN)
BDBM50120774
PNG
(2-(2-Fluoro-phenyl)-8-(4-methoxy-benzoyl)-6,7,8,9-...)
Show SMILES COc1ccc(cc1)C(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F
Show InChI InChI=1S/C23H19FN4O3/c1-31-15-8-6-14(7-9-15)22(29)27-11-10-19-17(12-27)21-25-20(13-28(21)23(30)26-19)16-4-2-3-5-18(16)24/h2-9,13H,10-12H2,1H3,(H,26,30)
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 3


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2


(HUMAN)
BDBM50120788
PNG
(8-Butyl-2-(2-fluoro-phenyl)-6,7,8,9-tetrahydro-5H-...)
Show SMILES CCCCN1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F
Show InChI InChI=1S/C19H21FN4O/c1-2-3-9-23-10-8-16-14(11-23)18-21-17(12-24(18)19(25)22-16)13-6-4-5-7-15(13)20/h4-7,12H,2-3,8-11H2,1H3,(H,22,25)
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 3


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2


(HUMAN)
BDBM50120793
PNG
(8-Cyclopropylmethyl-2-(2-fluoro-phenyl)-6,7,8,9-te...)
Show SMILES Fc1ccccc1-c1cn2c(n1)c1CN(CC3CC3)CCc1[nH]c2=O
Show InChI InChI=1S/C19H19FN4O/c20-15-4-2-1-3-13(15)17-11-24-18(21-17)14-10-23(9-12-5-6-12)8-7-16(14)22-19(24)25/h1-4,11-12H,5-10H2,(H,22,25)
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 3


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2


(HUMAN)
BDBM50120798
PNG
(2-(2-Fluoro-phenyl)-8-(3H-imidazol-4-ylmethyl)-6,7...)
Show SMILES Fc1ccccc1-c1cn2c(n1)c1CN(Cc3cnc[nH]3)CCc1[nH]c2=O
Show InChI InChI=1S/C19H17FN6O/c20-15-4-2-1-3-13(15)17-10-26-18(23-17)14-9-25(8-12-7-21-11-22-12)6-5-16(14)24-19(26)27/h1-4,7,10-11H,5-6,8-9H2,(H,21,22)(H,24,27)
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 3


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-3/beta-2/gamma-2


(HUMAN)
BDBM50120776
PNG
(8-Benzyl-2-(2,4-difluoro-phenyl)-6,7,8,9-tetrahydr...)
Show SMILES Fc1ccc(-c2cn3c(n2)c2CN(Cc4ccccc4)CCc2[nH]c3=O)c(F)c1
Show InChI InChI=1S/C22H18F2N4O/c23-15-6-7-16(18(24)10-15)20-13-28-21(25-20)17-12-27(9-8-19(17)26-22(28)29)11-14-4-2-1-3-5-14/h1-7,10,13H,8-9,11-12H2,(H,26,29)
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Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 3


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2


(Homo sapiens (Human))
BDBM50120795
PNG
(2-(2-Fluoro-phenyl)-8-(2-methyl-benzoyl)-6,7,8,9-t...)
Show SMILES Cc1ccccc1C(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F
Show InChI InChI=1S/C23H19FN4O2/c1-14-6-2-3-7-15(14)22(29)27-11-10-19-17(12-27)21-25-20(13-28(21)23(30)26-19)16-8-4-5-9-18(16)24/h2-9,13H,10-12H2,1H3,(H,26,30)
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n/an/an/an/a 544n/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 1


J Med Chem 45: 5043-51 (2002)

More data for this
Ligand-Target Pair
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