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Compile Data Set for Download or QSAR

Found 207 hits with Last Name = 'kristiansen' and Initial = 'u'   
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/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50588336
PNG
(CHEMBL5186739)
Show SMILES O=C(Nc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1)c1cccs1
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50588336
PNG
(CHEMBL5186739)
Show SMILES O=C(Nc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1)c1cccs1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta


(Homo sapiens (Human))
BDBM50588336
PNG
(CHEMBL5186739)
Show SMILES O=C(Nc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1)c1cccs1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta


(Homo sapiens (Human))
BDBM50588339
PNG
(CHEMBL5187612)
Show SMILES Cc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50588337
PNG
(CHEMBL5177970)
Show SMILES CC(=O)Nc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50588336
PNG
(CHEMBL5186739)
Show SMILES O=C(Nc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1)c1cccs1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50588339
PNG
(CHEMBL5187612)
Show SMILES Cc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50588339
PNG
(CHEMBL5187612)
Show SMILES Cc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50588337
PNG
(CHEMBL5177970)
Show SMILES CC(=O)Nc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50588336
PNG
(CHEMBL5186739)
Show SMILES O=C(Nc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1)c1cccs1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta


(Homo sapiens (Human))
BDBM50588337
PNG
(CHEMBL5177970)
Show SMILES CC(=O)Nc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta


(Homo sapiens (Human))
BDBM50588340
PNG
(CHEMBL5204910)
Show SMILES Cc1ccc(cc1)C(=O)N1CCC2(CCNCC2)CC1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50588340
PNG
(CHEMBL5204910)
Show SMILES Cc1ccc(cc1)C(=O)N1CCC2(CCNCC2)CC1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50588339
PNG
(CHEMBL5187612)
Show SMILES Cc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50588337
PNG
(CHEMBL5177970)
Show SMILES CC(=O)Nc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50588340
PNG
(CHEMBL5204910)
Show SMILES Cc1ccc(cc1)C(=O)N1CCC2(CCNCC2)CC1
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50588338
PNG
(CHEMBL5186559)
Show SMILES [H][C@]1(OCC2=C1C=CC1OCOC21)[C@@]1([H])N(C)CCc2cc3OCOc3cc12 |r,c:4,7|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/delta


(Homo sapiens (Human))
BDBM50588339
PNG
(CHEMBL5187612)
Show SMILES Cc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50588337
PNG
(CHEMBL5177970)
Show SMILES CC(=O)Nc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/delta


(Homo sapiens (Human))
BDBM50588337
PNG
(CHEMBL5177970)
Show SMILES CC(=O)Nc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50588339
PNG
(CHEMBL5187612)
Show SMILES Cc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50588340
PNG
(CHEMBL5204910)
Show SMILES Cc1ccc(cc1)C(=O)N1CCC2(CCNCC2)CC1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/delta


(Homo sapiens (Human))
BDBM50588340
PNG
(CHEMBL5204910)
Show SMILES Cc1ccc(cc1)C(=O)N1CCC2(CCNCC2)CC1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50588340
PNG
(CHEMBL5204910)
Show SMILES Cc1ccc(cc1)C(=O)N1CCC2(CCNCC2)CC1
PDB

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2.53E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/delta


(Homo sapiens (Human))
BDBM50588336
PNG
(CHEMBL5186739)
Show SMILES O=C(Nc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1)c1cccs1
PDB

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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid type B receptor subunit 1/2


(Rattus norvegicus (Rat))
BDBM24183
PNG
(4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...)
Show SMILES NCCCC(O)=O
Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
PDB

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PubMed
n/an/a 30n/an/an/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of Gamma-aminobutyric acid type B receptor of rat cortex


J Med Chem 38: 3287-96 (1995)


BindingDB Entry DOI: 10.7270/Q2B858S0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50588336
PNG
(CHEMBL5186739)
Show SMILES O=C(Nc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1)c1cccs1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50588336
PNG
(CHEMBL5186739)
Show SMILES O=C(Nc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1)c1cccs1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta


(Homo sapiens (Human))
BDBM50588339
PNG
(CHEMBL5187612)
Show SMILES Cc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/delta


(Homo sapiens (Human))
BDBM50588336
PNG
(CHEMBL5186739)
Show SMILES O=C(Nc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1)c1cccs1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50588337
PNG
(CHEMBL5177970)
Show SMILES CC(=O)Nc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50588336
PNG
(CHEMBL5186739)
Show SMILES O=C(Nc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1)c1cccs1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50588339
PNG
(CHEMBL5187612)
Show SMILES Cc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50588339
PNG
(CHEMBL5187612)
Show SMILES Cc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50411311
PNG
(CHEMBL2113267)
Show SMILES C[C@H]1[C@H]2[C@@H](OC1=O)[C@H](O)[C@]13C4OC(=O)[C@]21OC1OC(=O)[C@H](O)C31[C@@H]([C@H]4O)C(C)(C)C
Show InChI InChI=1S/C20H24O10/c1-5-6-8(27-13(5)24)10(22)19-12-7(21)9(17(2,3)4)18(19)11(23)14(25)29-16(18)30-20(6,19)15(26)28-12/h5-12,16,21-23H,1-4H3/t5-,6?,7+,8+,9-,10-,11-,12?,16?,18?,19+,20+/m0/s1
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n/an/a 560n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at human alpha1betaGlyR expressed in HEK293 cells by FMP assay


J Med Chem 50: 1610-7 (2007)


Article DOI: 10.1021/jm070003n
BindingDB Entry DOI: 10.7270/Q2GB23QT
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50588337
PNG
(CHEMBL5177970)
Show SMILES CC(=O)Nc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50411311
PNG
(CHEMBL2113267)
Show SMILES C[C@H]1[C@H]2[C@@H](OC1=O)[C@H](O)[C@]13C4OC(=O)[C@]21OC1OC(=O)[C@H](O)C31[C@@H]([C@H]4O)C(C)(C)C
Show InChI InChI=1S/C20H24O10/c1-5-6-8(27-13(5)24)10(22)19-12-7(21)9(17(2,3)4)18(19)11(23)14(25)29-16(18)30-20(6,19)15(26)28-12/h5-12,16,21-23H,1-4H3/t5-,6?,7+,8+,9-,10-,11-,12?,16?,18?,19+,20+/m0/s1
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n/an/a 650n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at human alpha1GlyR expressed in HEK293 cells assessed as inhibition of 300 uM glycine-induced current by whole-cell patch clamp experiment


J Med Chem 50: 1610-7 (2007)


Article DOI: 10.1021/jm070003n
BindingDB Entry DOI: 10.7270/Q2GB23QT
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50292287
PNG
(CHEMBL465161 | GINKGOLIDE A | ginkgolide-A)
Show SMILES C[C@@H]1C(=O)O[C@H]2C[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@@]33[C@@H](O)C(=O)O[C@H]3O[C@@]4(C(=O)O5)[C@@]12O |r|
Show InChI InChI=1S/C20H24O9/c1-7-12(22)26-10-6-17-9-5-8(16(2,3)4)18(17)11(21)13(23)28-15(18)29-20(17,14(24)27-9)19(7,10)25/h7-11,15,21,25H,5-6H2,1-4H3/t7-,8+,9-,10+,11+,15+,17-,18+,19-,20-/m1/s1
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n/an/a 690n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at human alpha1betaGlyR expressed in HEK293 cells by FMP assay


J Med Chem 50: 1610-7 (2007)


Article DOI: 10.1021/jm070003n
BindingDB Entry DOI: 10.7270/Q2GB23QT
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50411311
PNG
(CHEMBL2113267)
Show SMILES C[C@H]1[C@H]2[C@@H](OC1=O)[C@H](O)[C@]13C4OC(=O)[C@]21OC1OC(=O)[C@H](O)C31[C@@H]([C@H]4O)C(C)(C)C
Show InChI InChI=1S/C20H24O10/c1-5-6-8(27-13(5)24)10(22)19-12-7(21)9(17(2,3)4)18(19)11(23)14(25)29-16(18)30-20(6,19)15(26)28-12/h5-12,16,21-23H,1-4H3/t5-,6?,7+,8+,9-,10-,11-,12?,16?,18?,19+,20+/m0/s1
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n/an/a 780n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at human alpha1GlyR expressed in HEK293 cells by FMP assay


J Med Chem 50: 1610-7 (2007)


Article DOI: 10.1021/jm070003n
BindingDB Entry DOI: 10.7270/Q2GB23QT
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50588336
PNG
(CHEMBL5186739)
Show SMILES O=C(Nc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1)c1cccs1
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta


(Homo sapiens (Human))
BDBM50588336
PNG
(CHEMBL5186739)
Show SMILES O=C(Nc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1)c1cccs1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta


(Homo sapiens (Human))
BDBM50588337
PNG
(CHEMBL5177970)
Show SMILES CC(=O)Nc1cccc(c1)C(=O)N1CCC2(CCNCC2)CC1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-4/beta-1/delta


(Homo sapiens (Human))
BDBM50588340
PNG
(CHEMBL5204910)
Show SMILES Cc1ccc(cc1)C(=O)N1CCC2(CCNCC2)CC1
PDB

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n/an/a 1.26E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-2


(Homo sapiens (Human))
BDBM50411311
PNG
(CHEMBL2113267)
Show SMILES C[C@H]1[C@H]2[C@@H](OC1=O)[C@H](O)[C@]13C4OC(=O)[C@]21OC1OC(=O)[C@H](O)C31[C@@H]([C@H]4O)C(C)(C)C
Show InChI InChI=1S/C20H24O10/c1-5-6-8(27-13(5)24)10(22)19-12-7(21)9(17(2,3)4)18(19)11(23)14(25)29-16(18)30-20(6,19)15(26)28-12/h5-12,16,21-23H,1-4H3/t5-,6?,7+,8+,9-,10-,11-,12?,16?,18?,19+,20+/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at human alpha2GlyR expressed in HEK293 cells by FMP assay


J Med Chem 50: 1610-7 (2007)


Article DOI: 10.1021/jm070003n
BindingDB Entry DOI: 10.7270/Q2GB23QT
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50588340
PNG
(CHEMBL5204910)
Show SMILES Cc1ccc(cc1)C(=O)N1CCC2(CCNCC2)CC1
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00290
BindingDB Entry DOI: 10.7270/Q2SB49PD
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50251276
PNG
(BN 52021 | CHEMBL514432 | GINKOLIDE B | Gingkolide...)
Show SMILES C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@@]33[C@@H](O)C(=O)O[C@H]3O[C@@]4(C(=O)O5)[C@@]12O |r|
Show InChI InChI=1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9+,10+,11+,15+,17+,18+,19-,20-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at human alpha1GlyR expressed in HEK293 cells assessed as inhibition of 300 uM glycine-induced current by whole-cell patch clamp experiment


J Med Chem 50: 1610-7 (2007)


Article DOI: 10.1021/jm070003n
BindingDB Entry DOI: 10.7270/Q2GB23QT
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50208073
PNG
(CHEMBL221821 | ginkgolide C)
Show SMILES C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34O[C@@H]5OC(=O)[C@H](O)[C@@]55[C@@H]([C@H](O)C(OC3=O)[C@@]45[C@@]12O)C(C)(C)C
Show InChI InChI=1S/C20H24O11/c1-5-12(24)28-11-8(22)19-14(26)29-10-6(21)7(16(2,3)4)17(20(10,19)18(5,11)27)9(23)13(25)30-15(17)31-19/h5-11,15,21-23,27H,1-4H3/t5-,6+,7+,8+,9+,10?,11+,15+,17+,18-,19-,20-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at human alpha1GlyR expressed in HEK293 cells assessed as inhibition of 300 uM glycine-induced current by whole-cell patch clamp experiment


J Med Chem 50: 1610-7 (2007)


Article DOI: 10.1021/jm070003n
BindingDB Entry DOI: 10.7270/Q2GB23QT
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50292287
PNG
(CHEMBL465161 | GINKGOLIDE A | ginkgolide-A)
Show SMILES C[C@@H]1C(=O)O[C@H]2C[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@@]33[C@@H](O)C(=O)O[C@H]3O[C@@]4(C(=O)O5)[C@@]12O |r|
Show InChI InChI=1S/C20H24O9/c1-7-12(22)26-10-6-17-9-5-8(16(2,3)4)18(17)11(21)13(23)28-15(18)29-20(17,14(24)27-9)19(7,10)25/h7-11,15,21,25H,5-6H2,1-4H3/t7-,8+,9-,10+,11+,15+,17-,18+,19-,20-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at human alpha1GlyR expressed in HEK293 cells by FMP assay


J Med Chem 50: 1610-7 (2007)


Article DOI: 10.1021/jm070003n
BindingDB Entry DOI: 10.7270/Q2GB23QT
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-2


(Homo sapiens (Human))
BDBM50292287
PNG
(CHEMBL465161 | GINKGOLIDE A | ginkgolide-A)
Show SMILES C[C@@H]1C(=O)O[C@H]2C[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@@]33[C@@H](O)C(=O)O[C@H]3O[C@@]4(C(=O)O5)[C@@]12O |r|
Show InChI InChI=1S/C20H24O9/c1-7-12(22)26-10-6-17-9-5-8(16(2,3)4)18(17)11(21)13(23)28-15(18)29-20(17,14(24)27-9)19(7,10)25/h7-11,15,21,25H,5-6H2,1-4H3/t7-,8+,9-,10+,11+,15+,17-,18+,19-,20-/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at human alpha2GlyR expressed in HEK293 cells by FMP assay


J Med Chem 50: 1610-7 (2007)


Article DOI: 10.1021/jm070003n
BindingDB Entry DOI: 10.7270/Q2GB23QT
More data for this
Ligand-Target Pair
Glycine receptor subunit alpha-1


(Homo sapiens (Human))
BDBM50251276
PNG
(BN 52021 | CHEMBL514432 | GINKOLIDE B | Gingkolide...)
Show SMILES C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@@]33[C@@H](O)C(=O)O[C@H]3O[C@@]4(C(=O)O5)[C@@]12O |r|
Show InChI InChI=1S/C20H24O10/c1-6-12(23)28-11-9(21)18-8-5-7(16(2,3)4)17(18)10(22)13(24)29-15(17)30-20(18,14(25)27-8)19(6,11)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9+,10+,11+,15+,17+,18+,19-,20-/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Activity at human alpha1betaGlyR expressed in HEK293 cells by FMP assay


J Med Chem 50: 1610-7 (2007)


Article DOI: 10.1021/jm070003n
BindingDB Entry DOI: 10.7270/Q2GB23QT
More data for this
Ligand-Target Pair
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