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Compile Data Set for Download or QSAR

Found 302 hits with Last Name = 'fodor' and Initial = 'l'   
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
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50610205
PNG
(CHEMBL5268764)
Show SMILES CCOC(=O)c1ncn2c1c(=O)n(Cc1cccnc1)c1ccccc21
PDB

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0.300n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50610205
PNG
(CHEMBL5268764)
Show SMILES CCOC(=O)c1ncn2c1c(=O)n(Cc1cccnc1)c1ccccc21
PDB

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0.400n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50144861
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12
Show InChI InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3
PDB

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0.400n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605870
PNG
(CHEMBL5196475)
Show SMILES Cc1onc(c1COc1cc2CCNC(=O)c2cn1)-c1ccc(F)cc1
PDB

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0.490n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50144861
PNG
(3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...)
Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12
Show InChI InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3
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0.5n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50610197
PNG
(CHEMBL5283158)
Show SMILES Cc1ncc(Cn2c3ccccc3n3cncc3c2=O)cn1
PDB

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1.70n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605882
PNG
(CHEMBL5202280)
Show SMILES CC(=O)N1CCc2nc(OCc3c(C)onc3-c3ccc(F)cc3)ccc2C1
PDB

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1.90n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50610218
PNG
(CHEMBL5279431)
Show SMILES CCOC(=O)c1ncn2c1c(=O)n(Cc1cccnc1)c1cccc(Cl)c21
PDB

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2n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605891
PNG
(CHEMBL5174560)
Show SMILES CN(C)C(=O)N1CCc2nc(OCc3c(C)onc3-c3ccc(F)cc3)ccc2C1
PDB

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2.70n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605874
PNG
(CHEMBL5207799)
Show SMILES CN1CCc2nc(OCc3c(C)onc3-c3ccc(F)cc3)ccc2C1=O
PDB

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2.80n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605904
PNG
(CHEMBL5179688)
Show SMILES CC(=O)N1Cc2ccc(OCc3c(C)nnn3-c3ccc(F)cc3)nc2C1
PDB

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3.20n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605888
PNG
(CHEMBL5179759)
Show SMILES Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)C1CCS(=O)(=O)CC1)-c1ccc(F)cc1
PDB

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3.60n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50610197
PNG
(CHEMBL5283158)
Show SMILES Cc1ncc(Cn2c3ccccc3n3cncc3c2=O)cn1
PDB

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3.60n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605869
PNG
(CHEMBL5185502)
Show SMILES Cc1onc(c1COc1ccc2C(=O)NCCc2n1)-c1ccc(F)cc1
PDB

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4.10n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605868
PNG
(CHEMBL5186978)
Show SMILES Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)CS(C)(=O)=O)-c1ccc(F)cc1
PDB

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4.10n/an/an/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM133427
PNG
(US8846719, 112)
Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)N1CCS(=O)(=O)CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H20FN3O5S/c1-14-18(20(24-30-14)15-2-5-17(22)6-3-15)13-29-19-7-4-16(12-23-19)21(26)25-8-10-31(27,28)11-9-25/h2-7,12H,8-11,13H2,1H3
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4.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM133427
PNG
(US8846719, 112)
Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)N1CCS(=O)(=O)CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H20FN3O5S/c1-14-18(20(24-30-14)15-2-5-17(22)6-3-15)13-29-19-7-4-16(12-23-19)21(26)25-8-10-31(27,28)11-9-25/h2-7,12H,8-11,13H2,1H3
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4.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605890
PNG
(CHEMBL5200451)
Show SMILES Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)c1ccno1)-c1ccc(F)cc1
PDB

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4.60n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605894
PNG
(CHEMBL5176630)
Show SMILES Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)N1CCOCC1)-c1ccc(F)cc1
PDB

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4.60n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50610203
PNG
(CHEMBL5267248)
Show SMILES Clc1ncn2c1c(=O)n(Cc1ccccn1)c1ccccc21
PDB

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5.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605885
PNG
(CHEMBL5181374)
Show SMILES Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)C1CCOC1)-c1ccc(F)cc1
PDB

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7n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50610218
PNG
(CHEMBL5279431)
Show SMILES CCOC(=O)c1ncn2c1c(=O)n(Cc1cccnc1)c1cccc(Cl)c21
PDB

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7n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605892
PNG
(CHEMBL5178153)
Show SMILES Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)N1CCCC1)-c1ccc(F)cc1
PDB

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7.30n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605881
PNG
(CHEMBL5189787)
Show SMILES Cc1onc(c1COc1ccc2C(=O)N(CCS(C)(=O)=O)CCc2n1)-c1ccc(F)cc1
PDB

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7.70n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50610199
PNG
(CHEMBL5279584)
Show SMILES Cc1ncn2c1c(=O)n(Cc1cccnc1)c1ccccc21
PDB

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TBA



Citation and Details
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605879
PNG
(CHEMBL5176141)
Show SMILES Cc1onc(c1COc1ccc2C(=O)N(CCc2n1)C1CCOC1)-c1ccc(F)cc1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605883
PNG
(CHEMBL5189320)
Show SMILES Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)C1CC1)-c1ccc(F)cc1
PDB

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8.30n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605877
PNG
(CHEMBL5176939)
Show SMILES Cc1onc(c1COc1ccc2C(=O)N(Cc3ccno3)CCc2n1)-c1ccc(F)cc1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605887
PNG
(CHEMBL5193778)
Show SMILES Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)C1CCOCC1)-c1ccc(F)cc1
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9.20n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605886
PNG
(CHEMBL5197478)
Show SMILES Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)C1CCCO1)-c1ccc(F)cc1
PDB

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9.90n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605871
PNG
(CHEMBL5181809)
Show SMILES Cc1onc(c1COc1ccc2C(=O)NCCc2c1)-c1ccc(F)cc1
PDB

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10n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50610212
PNG
(CHEMBL5276178)
Show SMILES Clc1ccc2c(c1)n(Cc1cccnc1)c(=O)c1cncn21
PDB

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11n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50610203
PNG
(CHEMBL5267248)
Show SMILES Clc1ncn2c1c(=O)n(Cc1ccccn1)c1ccccc21
PDB

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Citation and Details
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605884
PNG
(CHEMBL5193523)
Show SMILES Cc1onc(c1COc1ccc2CN(CCc2n1)C(=O)C1CCC1)-c1ccc(F)cc1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605875
PNG
(CHEMBL5208183)
Show SMILES CC(C)N1CCc2nc(OCc3c(C)onc3-c3ccc(F)cc3)ccc2C1=O
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605872
PNG
(CHEMBL5173957)
Show SMILES CN1C(=O)CCc2cc(OCc3c(C)onc3-c3ccc(F)cc3)ccc12
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605873
PNG
(CHEMBL5182859)
Show SMILES CN1C(=O)COc2cc(OCc3c(C)onc3-c3ccc(F)cc3)ccc12
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50610189
PNG
(CHEMBL5267241)
Show SMILES O=c1n(Cc2cncnc2)c2ccccc2n2cncc12
PDB

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Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50610212
PNG
(CHEMBL5276178)
Show SMILES Clc1ccc2c(c1)n(Cc1cccnc1)c(=O)c1cncn21
PDB

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Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50610196
PNG
(CHEMBL5283624)
Show SMILES Cc1ccc(Cn2c3ccccc3n3cncc3c2=O)cn1
PDB

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Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50610198
PNG
(CHEMBL5285179)
Show SMILES Cc1ncn2c1c(=O)n(Cc1ccccn1)c1ccccc21
PDB

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Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50610193
PNG
(CHEMBL5281879)
Show SMILES Cc1ccncc1Cn1c2ccccc2n2cncc2c1=O
PDB

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Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50610194
PNG
(CHEMBL5282000)
Show SMILES Cc1cncc(Cn2c3ccccc3n3cncc3c2=O)c1
PDB

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Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50610199
PNG
(CHEMBL5279584)
Show SMILES Cc1ncn2c1c(=O)n(Cc1cccnc1)c1ccccc21
PDB

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Citation and Details
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5


(Homo sapiens (Human))
BDBM50610213
PNG
(CHEMBL5276982)
Show SMILES COc1ccc2c(c1)n(Cc1cccnc1)c(=O)c1cncn21
PDB

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Citation and Details
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605876
PNG
(CHEMBL5170797)
Show SMILES Cc1onc(c1COc1ccc2C(=O)N(Cc3ccco3)CCc2n1)-c1ccc(F)cc1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605880
PNG
(CHEMBL5174424)
Show SMILES Cc1onc(c1COc1ccc2C(=O)N(CC3CCCS3(=O)=O)CCc2n1)-c1ccc(F)cc1
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605878
PNG
(CHEMBL5180133)
Show SMILES Cc1onc(c1COc1ccc2C(=O)N(CC3CCCO3)CCc2n1)-c1ccc(F)cc1
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50610202
PNG
(CHEMBL5289385)
Show SMILES O=c1n(Cc2ccccn2)c2ccccc2n2cnc(CC3CC3)c12
PDB

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23n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50605901
PNG
(CHEMBL5207798)
Show SMILES CC(=O)N1CCc2nc(OCc3c(C)nnn3-c3ccc(F)cc3)ccc2C1
PDB

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28n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01
More data for this
Ligand-Target Pair
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