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Compile Data Set for Download or QSAR

Found 134 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50036807   
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
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50083912
PNG
(2-(4-Ethynyl-phenyl)-2,5-dihydro-pyrazolo[4,3-c]qu...)
Show SMILES O=c1n([nH]c2c1cnc1ccccc21)-c1ccc(cc1)C#C
Show InChI InChI=1S/C18H11N3O/c1-2-12-7-9-13(10-8-12)21-18(22)15-11-19-16-6-4-3-5-14(16)17(15)20-21/h1,3-11,20H
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0.0300n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50083898
PNG
(8-Ethynyl-2-phenyl-2,5-dihydro-pyrazolo[4,3-c]quin...)
Show SMILES O=c1n([nH]c2c1cnc1ccc(cc21)C#C)-c1ccccc1
Show InChI InChI=1S/C18H11N3O/c1-2-12-8-9-16-14(10-12)17-15(11-19-16)18(22)21(20-17)13-6-4-3-5-7-13/h1,3-11,20H
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0.0600n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50017009
PNG
(2-Phenyl-2,3a-dihydro-pyrazolo[4,3-c]quinolin-3-on...)
Show SMILES O=c1n([nH]c2c1cnc1ccccc21)-c1ccccc1
Show InChI InChI=1S/C16H11N3O/c20-16-13-10-17-14-9-5-4-8-12(14)15(13)18-19(16)11-6-2-1-3-7-11/h1-10,18H
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0.0800n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50083893
PNG
(8-Bromo-2-phenyl-2,5-dihydro-pyrazolo[4,3-c]quinol...)
Show SMILES Brc1ccc2ncc3c([nH]n(-c4ccccc4)c3=O)c2c1
Show InChI InChI=1S/C16H10BrN3O/c17-10-6-7-14-12(8-10)15-13(9-18-14)16(21)20(19-15)11-4-2-1-3-5-11/h1-9,19H
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0.0800n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM85042
PNG
(CHEMBL44613 | PW-007A)
Show SMILES COc1ccc2ncc3c([nH]n(-c4ccccc4)c3=O)c2c1
Show InChI InChI=1S/C17H13N3O2/c1-22-12-7-8-15-13(9-12)16-14(10-18-15)17(21)20(19-16)11-5-3-2-4-6-11/h2-10,19H,1H3
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0.100n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50034837
PNG
(8-Chloro-2-phenyl-2,5-dihydro-pyrazolo[4,3-c]quino...)
Show SMILES Clc1ccc2ncc3c([nH]n(-c4ccccc4)c3=O)c2c1
Show InChI InChI=1S/C16H10ClN3O/c17-10-6-7-14-12(8-10)15-13(9-18-14)16(21)20(19-15)11-4-2-1-3-5-11/h1-9,19H
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0.170n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50083903
PNG
(7-Chloro-5-furan-2-yl-1-methyl-1,3-dihydro-benzo[e...)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccco1 |c:10|
Show InChI InChI=1S/C14H11ClN2O2/c1-17-11-5-4-9(15)7-10(11)14(16-8-13(17)18)12-3-2-6-19-12/h2-7H,8H2,1H3
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>0.170n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50083905
PNG
(2-(4-Bromo-phenyl)-2,5-dihydro-pyrazolo[4,3-c]quin...)
Show SMILES Brc1ccc(cc1)-n1[nH]c2c(cnc3ccccc23)c1=O
Show InChI InChI=1S/C16H10BrN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h1-9,19H
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0.210n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50001765
PNG
(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)
Show SMILES Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12 |t:6|
Show InChI InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3
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0.590n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50083908
PNG
(8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...)
Show SMILES CC(C)(C)OC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1c(Br)cccc-21
Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3/t13-/m0/s1
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0.640n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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0.900n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50000177
PNG
(7,12-Dihydro-5,7,12-triaza-indeno[1,2-a]fluorene |...)
Show SMILES c1ccc2c(c1)[nH]c1cnc3c4ccccc4[nH]c3c21
Show InChI InChI=1S/C17H11N3/c1-3-7-12-10(5-1)15-14(19-12)9-18-16-11-6-2-4-8-13(11)20-17(15)16/h1-9,19-20H
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1.20n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50007554
PNG
(4-Methoxymethyl-6-propoxy-9H-beta-carboline-3-carb...)
Show SMILES CCCOc1ccc2[nH]c3cnc(C(=O)OCC)c(COC)c3c2c1
Show InChI InChI=1S/C19H22N2O4/c1-4-8-25-12-6-7-15-13(9-12)17-14(11-23-3)18(19(22)24-5-2)20-10-16(17)21-15/h6-7,9-10,21H,4-5,8,11H2,1-3H3
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1.20n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50007552
PNG
(6-Methoxy-4-methoxymethyl-9H-beta-carboline-3-carb...)
Show SMILES CCOC(=O)c1[nH]cc2nc3ccc(OC)cc3c2c1COC
Show InChI InChI=1S/C17H18N2O4/c1-4-23-17(20)16-12(9-21-2)15-11-7-10(22-3)5-6-13(11)19-14(15)8-18-16/h5-8,18H,4,9H2,1-3H3
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1.20n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50034834
PNG
(7-Methoxy-2-phenyl-2,5-dihydro-pyrazolo[4,3-c]quin...)
Show SMILES COc1ccc2c3[nH]n(-c4ccccc4)c(=O)c3cnc2c1
Show InChI InChI=1S/C17H13N3O2/c1-22-12-7-8-13-15(9-12)18-10-14-16(13)19-20(17(14)21)11-5-3-2-4-6-11/h2-10,19H,1H3
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1.30n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50034831
PNG
(5-Methyl-6-oxo-5,6-dihydro-4H-2,5,10b-triaza-benzo...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1ccccc-21
Show InChI InChI=1S/C15H15N3O3/c1-3-21-15(20)13-12-8-17(2)14(19)10-6-4-5-7-11(10)18(12)9-16-13/h4-7,9H,3,8H2,1-2H3
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2n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50017309
PNG
(7-Chloro-3-(5-isopropyl-[1,2,4]oxadiazol-3-yl)-5-m...)
Show SMILES CC(C)c1nc(no1)-c1ncn-2c1CN(C)C(=O)c1c(Cl)cccc-21
Show InChI InChI=1S/C17H16ClN5O2/c1-9(2)16-20-15(21-25-16)14-12-7-22(3)17(24)13-10(18)5-4-6-11(13)23(12)8-19-14/h4-6,8-9H,7H2,1-3H3
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2.10n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM25878
PNG
(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1F)[N+]([O-])=O |c:9|
Show InChI InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
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2.5n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/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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2.60n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50010624
PNG
(4-Methoxymethyl-9H-beta-carboline-3-carboxylic aci...)
Show SMILES CCOC(=O)c1[nH]cc2nc3ccccc3c2c1COC
Show InChI InChI=1S/C16H16N2O3/c1-3-21-16(19)15-11(9-20-2)14-10-6-4-5-7-12(10)18-13(14)8-17-15/h4-8,17H,3,9H2,1-2H3
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2.80n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50083906
PNG
(4-Ethyl-6-methoxy-9H-beta-carboline-3-carboxylic a...)
Show SMILES CCOC(=O)c1[nH]cc2nc3ccc(OC)cc3c2c1CC
Show InChI InChI=1S/C17H18N2O3/c1-4-11-15-12-8-10(21-3)6-7-13(12)19-14(15)9-18-16(11)17(20)22-5-2/h6-9,18H,4-5H2,1-3H3
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2.90n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50083895
PNG
(2-(4-Trimethylsilanylethynyl-phenyl)-2,5-dihydro-p...)
Show SMILES C[Si](C)(C)C#Cc1ccc(cc1)-n1[nH]c2c(cnc3ccccc23)c1=O
Show InChI InChI=1S/C21H19N3OSi/c1-26(2,3)13-12-15-8-10-16(11-9-15)24-21(25)18-14-22-19-7-5-4-6-17(19)20(18)23-24/h4-11,14,23H,1-3H3
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3.70n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50007553
PNG
(6-Benzyloxy-4-methoxymethyl-9H-beta-carboline-3-ca...)
Show SMILES CCOC(=O)c1[nH]cc2nc3ccc(OCc4ccccc4)cc3c2c1COC
Show InChI InChI=1S/C23H22N2O4/c1-3-28-23(26)22-18(14-27-2)21-17-11-16(29-13-15-7-5-4-6-8-15)9-10-19(17)25-20(21)12-24-22/h4-12,24H,3,13-14H2,1-2H3
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4.20n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50001486
PNG
((betaCCE)9H-beta-Carboline-3-carboxylic acid ethyl...)
Show SMILES CCOC(=O)c1cc2c(c[nH]1)nc1ccccc21
Show InChI InChI=1S/C14H12N2O2/c1-2-18-14(17)12-7-10-9-5-3-4-6-11(9)16-13(10)8-15-12/h3-8,15H,2H2,1H3
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4.90n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50010629
PNG
(6-Hydroxy-4-methoxymethyl-9H-beta-carboline-3-carb...)
Show SMILES CCOC(=O)c1[nH]cc2nc3ccc(O)cc3c2c1COC
Show InChI InChI=1S/C16H16N2O4/c1-3-22-16(20)15-11(8-21-2)14-10-6-9(19)4-5-12(10)18-13(14)7-17-15/h4-7,17,19H,3,8H2,1-2H3
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5.40n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50049737
PNG
(5-Methyl-6-oxo-8-propa-1,2-dienyl-5,6-dihydro-4H-2...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(C=C=C)ccc-21
Show InChI InChI=1S/C18H17N3O3/c1-4-6-12-7-8-14-13(9-12)17(22)20(3)10-15-16(18(23)24-5-2)19-11-21(14)15/h6-9,11H,1,5,10H2,2-3H3
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7.20n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50065229
PNG
(4-Ethyl-6,7-dimethoxy-9H-beta-carboline-3-carboxyl...)
Show SMILES CCc1c([nH]cc2nc3cc(OC)c(OC)cc3c12)C(=O)OC
Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,18H,5H2,1-4H3
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8.30n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50083911
PNG
(7-Bromo-1-methyl-5-phenyl-1,3-dihydro-benzo[e][1,4...)
Show SMILES CN1c2ccc(Br)cc2C(=NCC1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13BrN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
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9.30n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50067426
PNG
(5-Methyl-6-oxo-8-vinyl-5,6-dihydro-4H-2,5,10b-tria...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(C=C)ccc-21
Show InChI InChI=1S/C17H17N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h4,6-8,10H,1,5,9H2,2-3H3
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10n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50013815
PNG
(2-Fluoro-7,12-dihydro-5,7,12-triaza-indeno[1,2-a]f...)
Show SMILES Fc1ccc2c(c1)[nH]c1c2[nH]cc2nc3ccccc3c12
Show InChI InChI=1S/C17H10FN3/c18-9-5-6-11-13(7-9)21-17-15-10-3-1-2-4-12(10)20-14(15)8-19-16(11)17/h1-8,19,21H
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10n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50044947
PNG
(8-Bromo-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tria...)
Show SMILES CN1Cc2c(ncn2-c2ccc(Br)cc2C1=O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C17H18BrN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3
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11n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50044951
PNG
(8-Iodo-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-triaz...)
Show SMILES CN1Cc2c(ncn2-c2ccc(I)cc2C1=O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C17H18IN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3
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11n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50021753
PNG
(2-Methoxy-7,12-dihydro-5,7,12-triaza-indeno[1,2-a]...)
Show SMILES COc1ccc2c(c1)[nH]c1c2[nH]cc2nc3ccccc3c12
Show InChI InChI=1S/C18H13N3O/c1-22-10-6-7-12-14(8-10)21-18-16-11-4-2-3-5-13(11)20-15(16)9-19-17(12)18/h2-9,19,21H,1H3
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12n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50083902
PNG
(7,12-Dihydro-1,5,7,12-tetraaza-indeno[1,2-a]fluore...)
Show SMILES c1ccc2c(c1)[nH]c1c[nH]c3c4cccnc4nc3c21
Show InChI InChI=1S/C16H8N4/c1-2-6-11-9(4-1)13-12(19-11)8-18-14-10-5-3-7-17-16(10)20-15(13)14/h1-8H
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12n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50013836
PNG
(2-Chloro-7,12-dihydro-5,7,12-triaza-indeno[1,2-a]f...)
Show SMILES Clc1ccc2c(c1)[nH]c1c2[nH]cc2nc3ccccc3c12
Show InChI InChI=1S/C17H10ClN3/c18-9-5-6-11-13(7-9)21-17-15-10-3-1-2-4-12(10)20-14(15)8-19-16(11)17/h1-8,19,21H
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12n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50067444
PNG
(CHEMBL336728 | ethyl 7-(1-ethynyl)-9-oxo-(12aS)-12...)
Show SMILES CCOC(=O)c1ncn-2c1[C@@H]1CCN1C(=O)c1cc(ccc-21)C#C
Show InChI InChI=1S/C18H15N3O3/c1-3-11-5-6-13-12(9-11)17(22)20-8-7-14(20)16-15(18(23)24-4-2)19-10-21(13)16/h1,5-6,9-10,14H,4,7-8H2,2H3/t14-/m0/s1
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12n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50067432
PNG
(CHEMBL341398 | ethyl 7-bromo-9-oxo-(12aS)-12,12a-d...)
Show SMILES CCOC(=O)c1ncn-2c1[C@@H]1CCN1C(=O)c1cc(Br)ccc-21
Show InChI InChI=1S/C16H14BrN3O3/c1-2-23-16(22)13-14-12-5-6-19(12)15(21)10-7-9(17)3-4-11(10)20(14)8-18-13/h3-4,7-8,12H,2,5-6H2,1H3/t12-/m0/s1
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13n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50083878
PNG
(7-Chloro-1-methyl-5-thiophen-2-yl-1,3-dihydro-benz...)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1cccs1 |c:10|
Show InChI InChI=1S/C14H11ClN2OS/c1-17-11-5-4-9(15)7-10(11)14(16-8-13(17)18)12-3-2-6-19-12/h2-7H,8H2,1H3
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13n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50065238
PNG
(6-Benzyloxy-4-methoxymethyl-9H-beta-carboline-3-ca...)
Show SMILES COCc1c([nH]cc2nc3ccc(OCc4ccccc4)cc3c12)C(=O)OC(C)C
Show InChI InChI=1S/C24H24N2O4/c1-15(2)30-24(27)23-19(14-28-3)22-18-11-17(29-13-16-7-5-4-6-8-16)9-10-20(18)26-21(22)12-25-23/h4-12,15,25H,13-14H2,1-3H3
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15n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50001479
PNG
(9H-beta-Carboline-3-carboxylic acid tert-butyl est...)
Show SMILES CC(C)(C)OC(=O)c1cc2c(c[nH]1)nc1ccccc21
Show InChI InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)13-8-11-10-6-4-5-7-12(10)18-14(11)9-17-13/h4-9,17H,1-3H3
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15n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50034839
PNG
(8-Chloro-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tri...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(Cl)ccc-21
Show InChI InChI=1S/C15H14ClN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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16n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50001474
PNG
(1-(9H-beta-Carbolin-3-yl)-butan-1-one | CHEMBL6971...)
Show SMILES CCCC(=O)c1cc2c(c[nH]1)nc1ccccc21
Show InChI InChI=1S/C15H14N2O/c1-2-5-15(18)13-8-11-10-6-3-4-7-12(10)17-14(11)9-16-13/h3-4,6-9,16H,2,5H2,1H3
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16n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50083909
PNG
(6-Cyclohexylamino-9H-beta-carboline-3-carboxylic a...)
Show SMILES COC(=O)c1cc2c(c[nH]1)nc1ccc(NC3CCCCC3)cc21
Show InChI InChI=1S/C19H21N3O2/c1-24-19(23)17-10-15-14-9-13(21-12-5-3-2-4-6-12)7-8-16(14)22-18(15)11-20-17/h7-12,20-21H,2-6H2,1H3
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17n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50065240
PNG
(4-Ethyl-6,7-dimethoxy-9H-beta-carboline-3-carboxyl...)
Show SMILES CCOC(=O)c1[nH]cc2nc3cc(OC)c(OC)cc3c2c1CC
Show InChI InChI=1S/C18H20N2O4/c1-5-10-16-11-7-14(22-3)15(23-4)8-12(11)20-13(16)9-19-17(10)18(21)24-6-2/h7-9,19H,5-6H2,1-4H3
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19n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
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20n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM25877
PNG
(CHEMBL286594 | RY-80, 1 | ethyl 12-ethynyl-8-methy...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C
Show InChI InChI=1S/C17H15N3O3/c1-4-11-6-7-13-12(8-11)16(21)19(3)9-14-15(17(22)23-5-2)18-10-20(13)14/h1,6-8,10H,5,9H2,2-3H3
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21n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50034816
PNG
(8-Chloro-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tri...)
Show SMILES CN1Cc2c(ncn2-c2ccc(Cl)cc2C1=O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C17H18ClN3O3/c1-17(2,3)24-16(23)14-13-8-20(4)15(22)11-7-10(18)5-6-12(11)21(13)9-19-14/h5-7,9H,8H2,1-4H3
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22n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50044941
PNG
(8-Azido-5-methyl-6-oxo-5,6-dihydro-4H-2,5,10b-tria...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)N=[N+]=[N-])C(=O)OC(C)(C)C
Show InChI InChI=1S/C17H18N6O3/c1-17(2,3)26-16(25)14-13-8-22(4)15(24)11-7-10(20-21-18)5-6-12(11)23(13)9-19-14/h5-7,9H,8H2,1-4H3
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22n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50049740
PNG
(5-Methyl-6-oxo-8-prop-1-ynyl-5,6-dihydro-4H-2,5,10...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#CC
Show InChI InChI=1S/C18H17N3O3/c1-4-6-12-7-8-14-13(9-12)17(22)20(3)10-15-16(18(23)24-5-2)19-11-21(14)15/h7-9,11H,5,10H2,1-3H3
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22n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50083891
PNG
(7,12-Dihydro-2,5,7,12-tetraaza-indeno[1,2-a]fluore...)
Show SMILES c1ccc2c(c1)[nH]c1c[nH]c3c4ccncc4nc3c21
Show InChI InChI=1S/C16H8N4/c1-2-4-11-9(3-1)14-13(19-11)8-18-15-10-5-6-17-7-12(10)20-16(14)15/h1-8H
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24n/an/an/an/an/an/an/an/a



University of Wisconsin-Milwaukee

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha-2-beta-3-gamma-2


J Med Chem 43: 71-95 (2000)


BindingDB Entry DOI: 10.7270/Q2W37X0J
More data for this
Ligand-Target Pair
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