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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'GABAA Receptor, alpha-4, beta-3, gamma-2' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
GABAA Receptor, alpha-4, 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
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
5.30 -43.9n/an/an/an/an/a7.44



University of Wisconsin-Milwaukee



Assay Description
The affinity of compounds for human recombinant GABA (A) receptors was measured by competition binding using [3H]flunitrazepam. Assays were carried o...


Citation and Details
More data for this
Ligand-Target Pair
GABAA Receptor, alpha-4, beta-3, gamma-2


(Homo sapiens (human))
BDBM25883
PNG
(ethyl 12-ethynyl-9-phenyl-2,4,8-triazatricyclo[8.4...)
Show SMILES CCOC(=O)c1ncn-2c1CN=C(c1ccccc1)c1cc(ccc-21)C#C
Show InChI InChI=1S/C22H17N3O2/c1-3-15-10-11-18-17(12-15)20(16-8-6-5-7-9-16)23-13-19-21(22(26)27-4-2)24-14-25(18)19/h1,5-12,14H,4,13H2,2H3
KEGG

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
1.50E+3 -30.9n/an/an/an/an/a7.44



University of Wisconsin-Milwaukee



Assay Description
The affinity of compounds for human recombinant GABA (A) receptors was measured by competition binding using [3H]flunitrazepam. Assays were carried o...


Citation and Details
More data for this
Ligand-Target Pair
GABAA Receptor, alpha-4, beta-3, gamma-2


(Homo sapiens (human))
BDBM25879
PNG
(3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo...)
Show SMILES CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OCCCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C
Show InChI InChI=1S/C33H26N6O6/c1-5-20-8-10-24-22(14-20)30(40)36(3)16-26-28(34-18-38(24)26)32(42)44-12-7-13-45-33(43)29-27-17-37(4)31(41)23-15-21(6-2)9-11-25(23)39(27)19-35-29/h1-2,8-11,14-15,18-19H,7,12-13,16-17H2,3-4H3
KEGG

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
1.55E+3 -30.8n/an/an/an/an/a7.44



University of Wisconsin-Milwaukee



Assay Description
The affinity of compounds for human recombinant GABA (A) receptors was measured by competition binding using [3H]flunitrazepam. Assays were carried o...


Citation and Details
More data for this
Ligand-Target Pair
GABAA Receptor, alpha-4, beta-3, gamma-2


(Homo sapiens (human))
BDBM25885
PNG
(3-({12-ethynyl-9-phenyl-2,4,8-triazatricyclo[8.4.0...)
Show SMILES O=C(OCCCOC(=O)c1ncn-2c1CN=C(c1ccccc1)c1cc(ccc-21)C#C)c1ncn-2c1CN=C(c1ccccc1)c1cc(ccc-21)C#C
Show InChI InChI=1S/C43H30N6O4/c1-3-28-16-18-34-32(22-28)38(30-12-7-5-8-13-30)44-24-36-40(46-26-48(34)36)42(50)52-20-11-21-53-43(51)41-37-25-45-39(31-14-9-6-10-15-31)33-23-29(4-2)17-19-35(33)49(37)27-47-41/h1-2,5-10,12-19,22-23,26-27H,11,20-21,24-25H2
KEGG

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
>5.00E+3>-28.1n/an/an/an/an/a7.44



University of Wisconsin-Milwaukee



Assay Description
The affinity of compounds for human recombinant GABA (A) receptors was measured by competition binding using [3H]flunitrazepam. Assays were carried o...


Citation and Details
More data for this
Ligand-Target Pair