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Compile Data Set for Download or QSAR

Found 8 hits of ic50 for UniProtKB: P47870   
Target/Host
(Institution)
LigandTarget/Host
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
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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UniChem
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PubMed
n/an/a 324n/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-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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UniChem
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PubMed
n/an/a 2.95E+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
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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UniProtKB/SwissProt

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PC sid
UniChem
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PubMed
n/an/a 7.41E+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
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

KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.51E+4n/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-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50454541
PNG
(CHEMBL4210493)
Show SMILES NC(=N)NCc1cnn(C[C@@H]2[C@H](NC(=O)C(=N/OC3(CC3)C(O)=O)\c3csc(N)n3)C(=O)N2S(O)(=O)=O)n1 |r|
Show InChI InChI=1S/C17H21N11O8S2/c18-15(19)21-3-7-4-22-27(25-7)5-9-11(13(30)28(9)38(33,34)35)24-12(29)10(8-6-37-16(20)23-8)26-36-17(1-2-17)14(31)32/h4,6,9,11H,1-3,5H2,(H2,20,23)(H,24,29)(H,31,32)(H4,18,19,21)(H,33,34,35)/b26-10-/t9-,11+/m1/s1
PDB

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UniChem
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PubMed
n/an/a 1.90E+5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GABA A alpha2beta2gamma2 receptor expressed in CHO-K1 cells incubated at room temperature for 15 mins before the GABA...


Bioorg Med Chem Lett 28: 748-755 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.006
BindingDB Entry DOI: 10.7270/Q2M32ZB2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50454543
PNG
(CHEMBL4217850)
Show SMILES NC(=N)NCc1cn(C[C@@H]2[C@H](NC(=O)C(=N/OC3(CC3)C(O)=O)\c3csc(N)n3)C(=O)N2S(O)(=O)=O)nn1 |r|
Show InChI InChI=1S/C17H21N11O8S2/c18-15(19)21-3-7-4-27(26-24-7)5-9-11(13(30)28(9)38(33,34)35)23-12(29)10(8-6-37-16(20)22-8)25-36-17(1-2-17)14(31)32/h4,6,9,11H,1-3,5H2,(H2,20,22)(H,23,29)(H,31,32)(H4,18,19,21)(H,33,34,35)/b25-10-/t9-,11+/m1/s1
PDB

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.90E+5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GABA A alpha2beta2gamma2 receptor expressed in CHO-K1 cells incubated at room temperature for 15 mins before the GABA...


Bioorg Med Chem Lett 28: 748-755 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.006
BindingDB Entry DOI: 10.7270/Q2M32ZB2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50454540
PNG
(CHEMBL4213450)
Show SMILES NC[C@@H]1CN(C[C@@H]2[C@H](NC(=O)C(=N/OC3(CC3)C(O)=O)\c3csc(N)n3)C(=O)N2S(O)(=O)=O)C(=O)O1 |r|
Show InChI InChI=1S/C17H21N7O10S2/c18-3-7-4-23(16(29)33-7)5-9-11(13(26)24(9)36(30,31)32)21-12(25)10(8-6-35-15(19)20-8)22-34-17(1-2-17)14(27)28/h6-7,9,11H,1-5,18H2,(H2,19,20)(H,21,25)(H,27,28)(H,30,31,32)/b22-10-/t7-,9-,11+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.34E+6n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GABA A alpha2beta2gamma2 receptor expressed in CHO-K1 cells incubated at room temperature for 15 mins before the GABA...


Bioorg Med Chem Lett 28: 748-755 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.006
BindingDB Entry DOI: 10.7270/Q2M32ZB2
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2/gamma-2


(Homo sapiens (Human))
BDBM50454542
PNG
(CHEMBL4206129)
Show SMILES Nc1nc(cs1)C(=N\OC1(CC1)C(O)=O)\C(=O)N[C@H]1[C@@H](CN2CCOC2=O)N(C1=O)S(O)(=O)=O |r|
Show InChI InChI=1S/C16H18N6O10S2/c17-14-18-7(6-33-14)9(20-32-16(1-2-16)13(25)26)11(23)19-10-8(5-21-3-4-31-15(21)27)22(12(10)24)34(28,29)30/h6,8,10H,1-5H2,(H2,17,18)(H,19,23)(H,25,26)(H,28,29,30)/b20-9-/t8-,10+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.40E+6n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GABA A alpha2beta2gamma2 receptor expressed in CHO-K1 cells incubated at room temperature for 15 mins before the GABA...


Bioorg Med Chem Lett 28: 748-755 (2018)


Article DOI: 10.1016/j.bmcl.2018.01.006
BindingDB Entry DOI: 10.7270/Q2M32ZB2
More data for this
Ligand-Target Pair