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PubMed code 8917654

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM50048855
PNG
(3-(5-Cyclopropyl-[1,2,4]oxadiazol-3-yl)-4H-imidazo...)
Show SMILES CN(C)C(=O)N1Cc2c(ncn2-c2ccccc12)-c1noc(n1)C1CC1
Show InChI InChI=1S/C18H18N6O2/c1-22(2)18(25)23-9-14-15(16-20-17(26-21-16)11-7-8-11)19-10-24(14)13-6-4-3-5-12(13)23/h3-6,10-11H,7-9H2,1-2H3
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PubMed
13.2n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-4513 from alpha6 beta2 gamma2 subunits of Rat GABA-A receptor expressed in Sf-9 insect cell membranes


J Med Chem 39: 4654-66 (1996)


Article DOI: 10.1021/jm960401i
BindingDB Entry DOI: 10.7270/Q20K27NN
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM50054660
PNG
(8-(5-Cyclopropyl-[1,2,4]oxadiazol-3-yl)-4,5-dihydr...)
Show SMILES O=C1CCc2cccc-3c2N1Cc1c(ncn-31)-c1noc(n1)C1CC1
Show InChI InChI=1S/C18H15N5O2/c24-14-7-6-10-2-1-3-12-16(10)22(14)8-13-15(19-9-23(12)13)17-20-18(25-21-17)11-4-5-11/h1-3,9,11H,4-8H2
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>589n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-4513 from alpha6 beta2 gamma2 subunits of Rat GABA-A receptor expressed in Sf-9 insect cell membranes


J Med Chem 39: 4654-66 (1996)


Article DOI: 10.1021/jm960401i
BindingDB Entry DOI: 10.7270/Q20K27NN
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM50054662
PNG
(8-(5-Cyclopropyl-[1,2,4]oxadiazol-3-yl)-4,4-dimeth...)
Show SMILES CC1(C)CC(=O)N2Cc3c(ncn3-c3cccc1c23)-c1noc(n1)C1CC1
Show InChI InChI=1S/C20H19N5O2/c1-20(2)8-15(26)24-9-14-16(18-22-19(27-23-18)11-6-7-11)21-10-25(14)13-5-3-4-12(20)17(13)24/h3-5,10-11H,6-9H2,1-2H3
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>589n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-4513 from alpha6 beta2 gamma2 subunits of Rat GABA-A receptor expressed in Sf-9 insect cell membranes


J Med Chem 39: 4654-66 (1996)


Article DOI: 10.1021/jm960401i
BindingDB Entry DOI: 10.7270/Q20K27NN
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM50054663
PNG
(7-(5-Cyclopropyl-[1,2,4]oxadiazol-3-yl)-4-methoxy-...)
Show SMILES COn1c2cccc3-n4cnc(-c5noc(n5)C5CC5)c4Cn(c23)c1=O
Show InChI InChI=1S/C17H14N6O3/c1-25-23-11-4-2-3-10-14(11)21(17(23)24)7-12-13(18-8-22(10)12)15-19-16(26-20-15)9-5-6-9/h2-4,8-9H,5-7H2,1H3
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>589n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-4513 from alpha6 beta2 gamma2 subunits of Rat GABA-A receptor expressed in Sf-9 insect cell membranes


J Med Chem 39: 4654-66 (1996)


Article DOI: 10.1021/jm960401i
BindingDB Entry DOI: 10.7270/Q20K27NN
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM50054659
PNG
(8-(5-Cyclopropyl-[1,2,4]oxadiazol-3-yl)-4H,7H-5-ox...)
Show SMILES O=C1OCc2cccc-3c2N1Cc1c(ncn-31)-c1noc(n1)C1CC1
Show InChI InChI=1S/C17H13N5O3/c23-17-21-6-12-13(15-19-16(25-20-15)9-4-5-9)18-8-22(12)11-3-1-2-10(7-24-17)14(11)21/h1-3,8-9H,4-7H2
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>589n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-4513 from alpha6 beta2 gamma2 subunits of Rat GABA-A receptor expressed in Sf-9 insect cell membranes


J Med Chem 39: 4654-66 (1996)


Article DOI: 10.1021/jm960401i
BindingDB Entry DOI: 10.7270/Q20K27NN
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM50054656
PNG
(8-(5-Cyclopropyl-[1,2,4]oxadiazol-3-yl)-5-isopropy...)
Show SMILES CC(C)N1Cc2cccc-3c2N(Cc2c(ncn-32)-c2noc(n2)C2CC2)C1=O
Show InChI InChI=1S/C20H20N6O2/c1-11(2)24-8-13-4-3-5-14-17(13)25(20(24)27)9-15-16(21-10-26(14)15)18-22-19(28-23-18)12-6-7-12/h3-5,10-12H,6-9H2,1-2H3
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PubMed
>589n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-4513 from alpha6 beta2 gamma2 subunits of Rat GABA-A receptor expressed in Sf-9 insect cell membranes


J Med Chem 39: 4654-66 (1996)


Article DOI: 10.1021/jm960401i
BindingDB Entry DOI: 10.7270/Q20K27NN
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM50054661
PNG
(8-(5-Cyclopropyl-[1,2,4]oxadiazol-3-yl)-5-methyl-4...)
Show SMILES CN1Cc2cccc-3c2N(Cc2c(ncn-32)-c2noc(n2)C2CC2)C1=O
Show InChI InChI=1S/C18H16N6O2/c1-22-7-11-3-2-4-12-15(11)23(18(22)25)8-13-14(19-9-24(12)13)16-20-17(26-21-16)10-5-6-10/h2-4,9-10H,5-8H2,1H3
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PubMed
>589n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-4513 from alpha6 beta2 gamma2 subunits of Rat GABA-A receptor expressed in Sf-9 insect cell membranes


J Med Chem 39: 4654-66 (1996)


Article DOI: 10.1021/jm960401i
BindingDB Entry DOI: 10.7270/Q20K27NN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%