Compile Data Set for Download or QSAR

PubMed code 29650463

Found 17 hits of Enzyme Inhibition Constant Data   

TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50461578(CHEMBL4227819)
Show SMILES FC(F)(F)c1cccc(c1)-c1cnn2c1[nH]nc(-c1cc[nH]n1)c2=O
Show InChI InChI=1S/C15H9F3N6O/c16-15(17,18)9-3-1-2-8(6-9)10-7-20-24-13(10)23-22-12(14(24)25)11-4-5-19-21-11/h1-7,23H,(H,19,21)
Affinity DataKi:  6.5nMAssay Description:Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha1/beta2/gamma2 receptor after 90 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50461573(CHEMBL4227473)
Show SMILES O=c1c(n[nH]c2c(cnn12)-c1ccccn1)-c1cc[nH]n1
Show InChI InChI=1S/C13H9N7O/c21-13-11(10-4-6-15-17-10)18-19-12-8(7-16-20(12)13)9-3-1-2-5-14-9/h1-7,19H,(H,15,17)
Affinity DataKi:  9.10nMAssay Description:Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha1/beta2/gamma2 receptor after 90 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50461577(CHEMBL4228914)
Show SMILES Brc1cccc(c1)-c1cnn2c1[nH]nc(-c1cc[nH]n1)c2=O
Show InChI InChI=1S/C14H9BrN6O/c15-9-3-1-2-8(6-9)10-7-17-21-13(10)20-19-12(14(21)22)11-4-5-16-18-11/h1-7,20H,(H,16,18)
Affinity DataKi:  21nMAssay Description:Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha1/beta2/gamma2 receptor after 90 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50461572(CHEMBL4225762)
Show SMILES O=c1c(n[nH]c2c(cnn12)-c1cccnc1)-c1cc[nH]n1
Show InChI InChI=1S/C13H9N7O/c21-13-11(10-3-5-15-17-10)18-19-12-9(7-16-20(12)13)8-2-1-4-14-6-8/h1-7,19H,(H,15,17)
Affinity DataKi:  51nMAssay Description:Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha1/beta2/gamma2 receptor after 90 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50461576(CHEMBL4228076)
Show SMILES Clc1cccc(c1)-c1cnn2c1[nH]nc(-c1cc[nH]n1)c2=O
Show InChI InChI=1S/C14H9ClN6O/c15-9-3-1-2-8(6-9)10-7-17-21-13(10)20-19-12(14(21)22)11-4-5-16-18-11/h1-7,20H,(H,16,18)
Affinity DataKi:  66nMAssay Description:Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha1/beta2/gamma2 receptor after 90 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50461571(CHEMBL4225681)
Show SMILES Fc1ccc(cc1)-c1cnn2c1[nH]nc(-c1cc[nH]n1)c2=O
Show InChI InChI=1S/C14H9FN6O/c15-9-3-1-8(2-4-9)10-7-17-21-13(10)20-19-12(14(21)22)11-5-6-16-18-11/h1-7,20H,(H,16,18)
Affinity DataKi:  77nMAssay Description:Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha1/beta2/gamma2 receptor after 90 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50461579(CHEMBL4227285)
Show SMILES Fc1cccc(c1)-c1cnn2c1[nH]nc(-c1cc[nH]n1)c2=O
Show InChI InChI=1S/C14H9FN6O/c15-9-3-1-2-8(6-9)10-7-17-21-13(10)20-19-12(14(21)22)11-4-5-16-18-11/h1-7,20H,(H,16,18)
Affinity DataKi:  100nMAssay Description:Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha1/beta2/gamma2 receptor after 90 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2(Rattus norvegicus (Rat))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50461578(CHEMBL4227819)
Show SMILES FC(F)(F)c1cccc(c1)-c1cnn2c1[nH]nc(-c1cc[nH]n1)c2=O
Show InChI InChI=1S/C15H9F3N6O/c16-15(17,18)9-3-1-2-8(6-9)10-7-20-24-13(10)23-22-12(14(24)25)11-4-5-19-21-11/h1-7,23H,(H,19,21)
Affinity DataKi:  144nMAssay Description:Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha5/beta3/gamma2 receptor after 90 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50461580(CHEMBL4229045)
Show SMILES O=c1c(n[nH]c2c(cnn12)-c1cccc2ccccc12)-c1cc[nH]n1
Show InChI InChI=1S/C18H12N6O/c25-18-16(15-8-9-19-21-15)22-23-17-14(10-20-24(17)18)13-7-3-5-11-4-1-2-6-12(11)13/h1-10,23H,(H,19,21)
Affinity DataKi:  150nMAssay Description:Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha1/beta2/gamma2 receptor after 90 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2(Rattus norvegicus (Rat))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50461580(CHEMBL4229045)
Show SMILES O=c1c(n[nH]c2c(cnn12)-c1cccc2ccccc12)-c1cc[nH]n1
Show InChI InChI=1S/C18H12N6O/c25-18-16(15-8-9-19-21-15)22-23-17-14(10-20-24(17)18)13-7-3-5-11-4-1-2-6-12(11)13/h1-10,23H,(H,19,21)
Affinity DataKi:  159nMAssay Description:Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha5/beta3/gamma2 receptor after 90 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50461574(CHEMBL4228009)
Show SMILES O=c1c(n[nH]c2c(cnn12)-c1cccs1)-c1cc[nH]n1
Show InChI InChI=1S/C12H8N6OS/c19-12-10(8-3-4-13-15-8)16-17-11-7(6-14-18(11)12)9-2-1-5-20-9/h1-6,17H,(H,13,15)
Affinity DataKi:  285nMAssay Description:Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha1/beta2/gamma2 receptor after 90 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2(Rattus norvegicus (Rat))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50461575(CHEMBL4228455)
Show SMILES O=c1c(n[nH]c2c(cnn12)-c1ccccc1)-c1cc[nH]n1
Show InChI InChI=1S/C14H10N6O/c21-14-12(11-6-7-15-17-11)18-19-13-10(8-16-20(13)14)9-4-2-1-3-5-9/h1-8,19H,(H,15,17)
Affinity DataKi:  408nMAssay Description:Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha5/beta3/gamma2 receptor after 90 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50461575(CHEMBL4228455)
Show SMILES O=c1c(n[nH]c2c(cnn12)-c1ccccc1)-c1cc[nH]n1
Show InChI InChI=1S/C14H10N6O/c21-14-12(11-6-7-15-17-11)18-19-13-10(8-16-20(13)14)9-4-2-1-3-5-9/h1-8,19H,(H,15,17)
Affinity DataKi:  420nMAssay Description:Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha1/beta2/gamma2 receptor after 90 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2(Rattus norvegicus (Rat))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50461574(CHEMBL4228009)
Show SMILES O=c1c(n[nH]c2c(cnn12)-c1cccs1)-c1cc[nH]n1
Show InChI InChI=1S/C12H8N6OS/c19-12-10(8-3-4-13-15-8)16-17-11-7(6-14-18(11)12)9-2-1-5-20-9/h1-6,17H,(H,13,15)
Affinity DataKi:  662nMAssay Description:Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha5/beta3/gamma2 receptor after 90 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2(Rattus norvegicus (Rat))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50461571(CHEMBL4225681)
Show SMILES Fc1ccc(cc1)-c1cnn2c1[nH]nc(-c1cc[nH]n1)c2=O
Show InChI InChI=1S/C14H9FN6O/c15-9-3-1-8(2-4-9)10-7-17-21-13(10)20-19-12(14(21)22)11-5-6-16-18-11/h1-7,20H,(H,16,18)
Affinity DataKi:  1.11E+3nMAssay Description:Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha5/beta3/gamma2 receptor after 90 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2(Rattus norvegicus (Rat))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50461577(CHEMBL4228914)
Show SMILES Brc1cccc(c1)-c1cnn2c1[nH]nc(-c1cc[nH]n1)c2=O
Show InChI InChI=1S/C14H9BrN6O/c15-9-3-1-2-8(6-9)10-7-17-21-13(10)20-19-12(14(21)22)11-4-5-16-18-11/h1-7,20H,(H,16,18)
Affinity DataKi:  1.12E+3nMAssay Description:Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha5/beta3/gamma2 receptor after 90 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2(Rattus norvegicus (Rat))
Universit£ degli Studi di Firenze

Curated by ChEMBL
LigandPNGBDBM50461572(CHEMBL4225762)
Show SMILES O=c1c(n[nH]c2c(cnn12)-c1cccnc1)-c1cc[nH]n1
Show InChI InChI=1S/C13H9N7O/c21-13-11(10-3-5-15-17-10)18-19-12-9(7-16-20(12)13)8-2-1-4-14-6-8/h1-7,19H,(H,15,17)
Affinity DataKi:  1.24E+3nMAssay Description:Displacement of [3H]Ro15-1788 from recombinant rat GABAAalpha5/beta3/gamma2 receptor after 90 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
* indicates data uncertainty>20%