Compile Data Set for Download or QSAR
Found 87 Enz. Inhib. hit(s) with all data for entry = 2945
TargetGamma-aminobutyric acid receptor subunit alpha-1 [G157C]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin at Madison

LigandPNGBDBM26263(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
Affinity DataKi:  0.190nM ΔG°:  -55.5kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1 [T206C]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin at Madison

LigandPNGBDBM26265((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
Affinity DataKi:  0.830nM ΔG°:  -51.8kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1 [V202C]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin at Madison

LigandPNGBDBM26263(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
Affinity DataKi:  1.5nM ΔG°:  -50.4kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-5 [32-462]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin at Madison

LigandPNGBDBM26263(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
Affinity DataKi:  2nM ΔG°:  -49.2kJ/molepH: 7.4 T: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1 [T206C]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin at Madison

LigandPNGBDBM26263(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
Affinity DataKi:  2.10nM ΔG°:  -49.5kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1 [T162C]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin at Madison

LigandPNGBDBM26263(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
Affinity DataKi:  2.20nM ΔG°:  -49.4kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1 [G200C]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin at Madison

LigandPNGBDBM26263(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
Affinity DataKi:  3nM ΔG°:  -48.6kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-4 [36-554]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin at Madison

LigandPNGBDBM26267(RO-154513 | Ro15-4513 | [3H]Ro15-4513 | ethyl 12-a...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-]
Show InChI InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3
Affinity DataKi:  3.10nM ΔG°:  -48.1kJ/molepH: 7.4 T: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
LigandPNGBDBM26263(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
Affinity DataKi:  3.10nM ΔG°:  -48.6kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin at Madison

LigandPNGBDBM26263(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
Affinity DataKi:  3.30nM ΔG°:  -47.9kJ/molepH: 7.4 T: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
LigandPNGBDBM26263(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
Affinity DataKi:  3.30nM ΔG°:  -48.4kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
LigandPNGBDBM26263(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
Affinity DataKi:  3.70nM ΔG°:  -48.1kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
LigandPNGBDBM26263(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
Affinity DataKi:  3.80nM ΔG°:  -48.1kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1 [A160C]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin at Madison

LigandPNGBDBM26263(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
Affinity DataKi:  4nM ΔG°:  -47.9kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
LigandPNGBDBM26263(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
Affinity DataKi:  4.10nM ΔG°:  -47.9kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1 [V211C]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin at Madison

LigandPNGBDBM26263(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
Affinity DataKi:  4.10nM ΔG°:  -47.9kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
LigandPNGBDBM26263(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
Affinity DataKi:  4.40nM ΔG°:  -47.7kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
LigandPNGBDBM26263(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
Affinity DataKi:  4.40nM ΔG°:  -47.7kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-6 [20-453]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin at Madison

LigandPNGBDBM26267(RO-154513 | Ro15-4513 | [3H]Ro15-4513 | ethyl 12-a...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)N=[N+]=[N-]
Show InChI InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3
Affinity DataKi:  5.10nM ΔG°:  -46.9kJ/molepH: 7.4 T: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-2 [29-451]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin at Madison

LigandPNGBDBM26263(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
Affinity DataKi:  5.70nM ΔG°:  -46.6kJ/molepH: 7.4 T: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1 [S205C]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin at Madison

LigandPNGBDBM26263(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
Affinity DataKi:  6.5nM ΔG°:  -46.7kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-3 [29-492]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin at Madison

LigandPNGBDBM26263(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
Affinity DataKi:  8.10nM ΔG°:  -45.7kJ/molepH: 7.4 T: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1 [S204C]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin at Madison

LigandPNGBDBM26263(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
Affinity DataKi:  8.80nM ΔG°:  -46.0kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
LigandPNGBDBM26263(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
Affinity DataKi:  9.20nM ΔG°:  -45.9kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
LigandPNGBDBM26263(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
Affinity DataKi:  9.20nM ΔG°:  -45.9kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
LigandPNGBDBM26263(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
Affinity DataKi:  9.60nM ΔG°:  -45.8kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
LigandPNGBDBM26263(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
Affinity DataKi:  13nM ΔG°:  -45.0kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
LigandPNGBDBM26263(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
Affinity DataKi:  13.8nM ΔG°:  -44.9kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1 [F99C]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin at Madison

LigandPNGBDBM26263(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
Affinity DataKi:  15nM ΔG°:  -44.2kJ/molepH: 7.4 T: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
LigandPNGBDBM26266(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
Affinity DataKi:  15.5nM ΔG°:  -44.6kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
LigandPNGBDBM26265((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
Affinity DataKi:  22.4nM ΔG°:  -43.7kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1 [T162C]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin at Madison

LigandPNGBDBM26265((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
Affinity DataKi:  33.8nM ΔG°:  -42.6kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1 [S205C]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin at Madison

LigandPNGBDBM26265((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
Affinity DataKi:  34.9nM ΔG°:  -42.6kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
LigandPNGBDBM26266(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
Affinity DataKi:  35.8nM ΔG°:  -42.5kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
LigandPNGBDBM26266(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
Affinity DataKi:  38nM ΔG°:  -42.4kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1 [S205C]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin at Madison

LigandPNGBDBM26266(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
Affinity DataKi:  41.2nM ΔG°:  -42.2kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
LigandPNGBDBM26265((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
Affinity DataKi:  46.3nM ΔG°:  -41.9kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin at Madison

LigandPNGBDBM26265((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
Affinity DataKi:  50.1nM ΔG°:  -41.2kJ/molepH: 7.4 T: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1 [S204C]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin at Madison

LigandPNGBDBM26265((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
Affinity DataKi:  57.9nM ΔG°:  -41.3kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1 [A160C]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin at Madison

LigandPNGBDBM26265((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
Affinity DataKi:  60.4nM ΔG°:  -41.2kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1 [28-456]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin at Madison

LigandPNGBDBM26266(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
Affinity DataKi:  61.9nM ΔG°:  -40.7kJ/molepH: 7.4 T: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1 [V211C]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin at Madison

LigandPNGBDBM26265((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
Affinity DataKi:  62.4nM ΔG°:  -41.1kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
LigandPNGBDBM26266(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
Affinity DataKi:  62.6nM ΔG°:  -41.1kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
LigandPNGBDBM26266(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
Affinity DataKi:  63.1nM ΔG°:  -41.1kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
LigandPNGBDBM26265((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
Affinity DataKi:  67nM ΔG°:  -40.9kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
LigandPNGBDBM26266(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
Affinity DataKi:  67.4nM ΔG°:  -40.9kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
LigandPNGBDBM26266(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
Affinity DataKi:  67.6nM ΔG°:  -40.9kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1 [V211C]/beta-2 [26-512]/gamma-2 [40-467](Homo sapiens (Human))
University of Wisconsin at Madison

LigandPNGBDBM26266(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
Affinity DataKi:  67.8nM ΔG°:  -40.9kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
LigandPNGBDBM26265((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
Affinity DataKi:  70.9nM ΔG°:  -40.8kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
LigandPNGBDBM26265((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
Affinity DataKi:  71.9nM ΔG°:  -40.8kJ/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
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