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BDBM26265 (5S)-6-(5-chloropyridin-2-yl)-7-oxo-5H,6H,7H-pyrrolo[3,4-b]pyrazin-5-yl 4-methylpiperazine-1-carboxylate::ESZ::Estorra::Eszopiclone::Lunesta::cid_5735

SMILES: CN1CCN(CC1)C(=O)Oc1n(-c2ccc(Cl)cn2)c(=O)c2ncc[nH]c12

InChI Key: InChIKey=DZCUZLPTNNFSNM-UHFFFAOYSA-N

Data: 28 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 26265   
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
GABAA Receptor Mutant, alpha-1 (T206C), beta-2, gamma-2


(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
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PubMed
0.830 -12.4n/an/an/an/an/an/a25



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...


J Med Chem 51: 7243-52 (2008)


Article DOI: 10.1021/jm800889m
BindingDB Entry DOI: 10.7270/Q2R78CJM
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
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PubMed
22.4 -10.4n/an/an/an/an/an/a25



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...


J Med Chem 51: 7243-52 (2008)


Article DOI: 10.1021/jm800889m
BindingDB Entry DOI: 10.7270/Q2R78CJM
More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1 (T162C), beta-2, gamma-2


(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
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PubMed
33.8 -10.2n/an/an/an/an/an/a25



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...


J Med Chem 51: 7243-52 (2008)


Article DOI: 10.1021/jm800889m
BindingDB Entry DOI: 10.7270/Q2R78CJM
More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1 (S205C), beta-2, gamma-2


(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
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PubMed
34.9 -10.2n/an/an/an/an/an/a25



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...


J Med Chem 51: 7243-52 (2008)


Article DOI: 10.1021/jm800889m
BindingDB Entry DOI: 10.7270/Q2R78CJM
More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (L140C)


(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
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Article
PubMed
46.3 -10.0n/an/an/an/an/an/a25



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...


J Med Chem 51: 7243-52 (2008)


Article DOI: 10.1021/jm800889m
BindingDB Entry DOI: 10.7270/Q2R78CJM
More data for this
Ligand-Target Pair
GABAA Receptor, alpha-1, beta-2, gamma-2


(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
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Article
PubMed
50.1 -9.85n/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...


J Med Chem 51: 7243-52 (2008)


Article DOI: 10.1021/jm800889m
BindingDB Entry DOI: 10.7270/Q2R78CJM
More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1 (S204C), beta-2, gamma-2


(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
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Article
PubMed
57.9 -9.87n/an/an/an/an/an/a25



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...


J Med Chem 51: 7243-52 (2008)


Article DOI: 10.1021/jm800889m
BindingDB Entry DOI: 10.7270/Q2R78CJM
More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1 (A160C), beta-2, gamma-2


(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
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Article
PubMed
60.4 -9.84n/an/an/an/an/an/a25



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...


J Med Chem 51: 7243-52 (2008)


Article DOI: 10.1021/jm800889m
BindingDB Entry DOI: 10.7270/Q2R78CJM
More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1 (V211C), beta-2, gamma-2


(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
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Article
PubMed
62.4 -9.82n/an/an/an/an/an/a25



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...


J Med Chem 51: 7243-52 (2008)


Article DOI: 10.1021/jm800889m
BindingDB Entry DOI: 10.7270/Q2R78CJM
More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (R194C)


(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
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Article
PubMed
67 -9.78n/an/an/an/an/an/a25



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...


J Med Chem 51: 7243-52 (2008)


Article DOI: 10.1021/jm800889m
BindingDB Entry DOI: 10.7270/Q2R78CJM
More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (R185C)


(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
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PubMed
70.9 -9.75n/an/an/an/an/an/a25



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...


J Med Chem 51: 7243-52 (2008)


Article DOI: 10.1021/jm800889m
BindingDB Entry DOI: 10.7270/Q2R78CJM
More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (T126C)


(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
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Article
PubMed
71.9 -9.74n/an/an/an/an/an/a25



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...


J Med Chem 51: 7243-52 (2008)


Article DOI: 10.1021/jm800889m
BindingDB Entry DOI: 10.7270/Q2R78CJM
More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (T81C)


(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
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Article
PubMed
75.2 -9.71n/an/an/an/an/an/a25



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...


J Med Chem 51: 7243-52 (2008)


Article DOI: 10.1021/jm800889m
BindingDB Entry DOI: 10.7270/Q2R78CJM
More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (D56C)


(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
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Article
PubMed
82.4 -9.66n/an/an/an/an/an/a25



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...


J Med Chem 51: 7243-52 (2008)


Article DOI: 10.1021/jm800889m
BindingDB Entry DOI: 10.7270/Q2R78CJM
More data for this
Ligand-Target Pair
GABAA Receptor, alpha-5, beta-2, gamma-2


(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
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Article
PubMed
102 -9.44n/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...


J Med Chem 51: 7243-52 (2008)


Article DOI: 10.1021/jm800889m
BindingDB Entry DOI: 10.7270/Q2R78CJM
More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (M130C)


(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
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PubMed
102 -9.53n/an/an/an/an/an/a25



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...


J Med Chem 51: 7243-52 (2008)


Article DOI: 10.1021/jm800889m
BindingDB Entry DOI: 10.7270/Q2R78CJM
More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (R132C)


(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
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Article
PubMed
110 -9.49n/an/an/an/an/an/a25



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...


J Med Chem 51: 7243-52 (2008)


Article DOI: 10.1021/jm800889m
BindingDB Entry DOI: 10.7270/Q2R78CJM
More data for this
Ligand-Target Pair
GABAA Receptor, alpha-2, beta-2, gamma-2


(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
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Article
PubMed
114 -9.37n/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...


J Med Chem 51: 7243-52 (2008)


Article DOI: 10.1021/jm800889m
BindingDB Entry DOI: 10.7270/Q2R78CJM
More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1 (G200C), beta-2, gamma-2


(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
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PubMed
119 -9.44n/an/an/an/an/an/a25



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...


J Med Chem 51: 7243-52 (2008)


Article DOI: 10.1021/jm800889m
BindingDB Entry DOI: 10.7270/Q2R78CJM
More data for this
Ligand-Target Pair
GABAA Receptor, alpha-3, beta-2, gamma-2


(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
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Article
PubMed
162 -9.16n/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...


J Med Chem 51: 7243-52 (2008)


Article DOI: 10.1021/jm800889m
BindingDB Entry DOI: 10.7270/Q2R78CJM
More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (R144C)


(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
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PubMed
174 -9.21n/an/an/an/an/an/a25



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...


J Med Chem 51: 7243-52 (2008)


Article DOI: 10.1021/jm800889m
BindingDB Entry DOI: 10.7270/Q2R78CJM
More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1 (V202C), beta-2, gamma-2


(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
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Article
PubMed
249 -9.00n/an/an/an/an/an/a25



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...


J Med Chem 51: 7243-52 (2008)


Article DOI: 10.1021/jm800889m
BindingDB Entry DOI: 10.7270/Q2R78CJM
More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (A79C)


(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
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Article
PubMed
393 -8.73n/an/an/an/an/an/a25



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...


J Med Chem 51: 7243-52 (2008)


Article DOI: 10.1021/jm800889m
BindingDB Entry DOI: 10.7270/Q2R78CJM
More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1 (F99C), beta-2, gamma-2


(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
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Article
PubMed
407 -8.62n/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...


J Med Chem 51: 7243-52 (2008)


Article DOI: 10.1021/jm800889m
BindingDB Entry DOI: 10.7270/Q2R78CJM
More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (T142C)


(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
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Article
PubMed
503 -8.59n/an/an/an/an/an/a25



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...


J Med Chem 51: 7243-52 (2008)


Article DOI: 10.1021/jm800889m
BindingDB Entry DOI: 10.7270/Q2R78CJM
More data for this
Ligand-Target Pair
GABAA Receptor Mutant, alpha-1 (G157C), beta-2, gamma-2


(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
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Article
PubMed
2.10E+3 -7.74n/an/an/an/an/an/a25



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...


J Med Chem 51: 7243-52 (2008)


Article DOI: 10.1021/jm800889m
BindingDB Entry DOI: 10.7270/Q2R78CJM
More data for this
Ligand-Target Pair
GABAA Receptor, alpha-4, beta-2, gamma-2


(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
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PubMed
>1.50E+4>-6.51n/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...


J Med Chem 51: 7243-52 (2008)


Article DOI: 10.1021/jm800889m
BindingDB Entry DOI: 10.7270/Q2R78CJM
More data for this
Ligand-Target Pair
GABAA Receptor, alpha-6, beta-2, gamma-2


(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
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Article
PubMed
>1.50E+4>-6.51n/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...


J Med Chem 51: 7243-52 (2008)


Article DOI: 10.1021/jm800889m
BindingDB Entry DOI: 10.7270/Q2R78CJM
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(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
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PCBioAssay
n/an/a>4.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair