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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (Chimera)' 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 Mutant, alpha-1, beta-2, gamma-2 (Chimera)


(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
KEGG

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CHEMBL
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KEGG
PC cid
PC sid
UniChem

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DrugBank
Article
PubMed
9.60 -45.3n/an/an/an/an/a7.422



University of Wisconsin at Madison



Assay Description
Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...


Citation and Details
More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (Chimera)


(Homo sapiens (human))
BDBM26265
PNG
((5S)-6-(5-chloropyridin-2-yl)-7-oxo-5H,6H,7H-pyrro...)
Show SMILES CN1CCN(CC1)C(=O)Oc1n(-c2ccc(Cl)cn2)c(=O)c2ncc[nH]c12
Show InChI InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,20H,6-9H2,1H3
KEGG

DrugBank
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Patents


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AffyNet 
Article
PubMed
22.4 -43.2n/an/an/an/an/a7.422



University of Wisconsin at Madison



Assay Description
Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...


Citation and Details
More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (Chimera)


(Homo sapiens (human))
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
KEGG

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
DrugBank
Article
PubMed
427 -36.0n/an/an/an/an/a7.422



University of Wisconsin at Madison



Assay Description
Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...


Citation and Details
More data for this
Ligand-Target Pair