Compile Data Set for Download or QSAR
Found 351 of ki for UniProtKB: P62813
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM50001765(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)
Show SMILES Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12
Show InChI InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3
Affinity DataKi:  0.310nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM50001765(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)
Show SMILES Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12
Show InChI InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3
Affinity DataKi:  0.340nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM22040(4 -chlorodiazepam | 4' Cl-diazepam | 7-chloro-...)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3
Affinity DataKi:  0.410nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM86522(CAS_325715-02-4 | Indiplon)
Show SMILES CN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C(=O)c1cccs1
Show InChI InChI=1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3
Affinity DataKi:  0.450nMAssay Description:Displacement of [3H]Ro15-1788 from GABAA alpha1 receptor in Sprague-Dawley rat cerebral cortex membraneMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM50001765(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)
Show SMILES Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12
Show InChI InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3
Affinity DataKi:  0.450nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Heidelberg

Curated by ChEMBL
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:  0.5nMAssay Description:Binding affinity for rat GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
Affinity DataKi:  0.540nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM50001765(8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]tri...)
Show SMILES Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12
Show InChI InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3
Affinity DataKi:  0.550nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM86522(CAS_325715-02-4 | Indiplon)
Show SMILES CN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C(=O)c1cccs1
Show InChI InChI=1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3
Affinity DataKi:  0.550nMAssay Description:Displacement of [3H]Ro15-1788 from GABAA alpha-1 receptor in Sprague-Dawley rat cerebellar membraneMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM50026756(3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...)
Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
Affinity DataKi:  0.700nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM50293263(2-(5-benzyl-2-hydroxyphenyl)-6-methyl-4H-chromen-4...)
Show SMILES Cc1ccc2oc(cc(=O)c2c1)-c1cc(Cc2ccccc2)ccc1O
Show InChI InChI=1S/C23H18O3/c1-15-7-10-22-18(11-15)21(25)14-23(26-22)19-13-17(8-9-20(19)24)12-16-5-3-2-4-6-16/h2-11,13-14,24H,12H2,1H3
Affinity DataKi:  0.800nMAssay Description:Displacement of [3H]flumazenil in rat GABAAalpha1beta3gamma2 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Heidelberg

Curated by ChEMBL
LigandPNGBDBM50035527(3-Methyl-9H-beta-carboline | CHEMBL344859)
Show SMILES Cc1cc2c(c[nH]1)nc1ccccc21
Show InChI InChI=1S/C12H10N2/c1-8-6-10-9-4-2-3-5-11(9)14-12(10)7-13-8/h2-7,13H,1H3
Affinity DataKi:  0.800nMAssay Description:Binding affinity for rat GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM50026756(3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...)
Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
Affinity DataKi:  0.810nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
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:  0.870nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM84740(CAS_119194 | Imidazenil | NSC_119194)
Show SMILES NC(=O)c1ncn-2c1CN=C(c1ccccc1Br)c1cc(F)ccc-21
Show InChI InChI=1S/C18H12BrFN4O/c19-13-4-2-1-3-11(13)16-12-7-10(20)5-6-14(12)24-9-23-17(18(21)25)15(24)8-22-16/h1-7,9H,8H2,(H2,21,25)
Affinity DataKi:  0.900nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM84740(CAS_119194 | Imidazenil | NSC_119194)
Show SMILES NC(=O)c1ncn-2c1CN=C(c1ccccc1Br)c1cc(F)ccc-21
Show InChI InChI=1S/C18H12BrFN4O/c19-13-4-2-1-3-11(13)16-12-7-10(20)5-6-14(12)24-9-23-17(18(21)25)15(24)8-22-16/h1-7,9H,8H2,(H2,21,25)
In DepthDetails PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
Affinity DataKi:  1.06nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM86522(CAS_325715-02-4 | Indiplon)
Show SMILES CN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C(=O)c1cccs1
Show InChI InChI=1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3
Affinity DataKi:  1.20nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM86522(CAS_325715-02-4 | Indiplon)
Show SMILES CN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C(=O)c1cccs1
Show InChI InChI=1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3
Affinity DataKi:  1.20nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM50293262(2-(5-benzyl-2-hydroxyphenyl)-6-methylquinolin-4(1H...)
Show SMILES Cc1ccc2nc(cc(O)c2c1)-c1cc(Cc2ccccc2)ccc1O
Show InChI InChI=1S/C23H19NO2/c1-15-7-9-20-18(11-15)23(26)14-21(24-20)19-13-17(8-10-22(19)25)12-16-5-3-2-4-6-16/h2-11,13-14,25H,12H2,1H3,(H,24,26)
Affinity DataKi:  1.20nMAssay Description:Displacement of [3H]flumazenil in rat GABAAalpha1beta3gamma2 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM22040(4 -chlorodiazepam | 4' Cl-diazepam | 7-chloro-...)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3
Affinity DataKi:  1.24nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
Affinity DataKi:  1.37nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1F)[N+]([O-])=O
Show InChI InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
Affinity DataKi:  1.37nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
Affinity DataKi:  1.41nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM50017320(8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...)
Show SMILES CC(C)(C)OC(=O)c1ncn-2c1C1CCCN1C(=O)c1c(Br)cccc-21
Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3
Affinity DataKi:  1.5nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
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:  1.52nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM25878(5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...)
Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1F)[N+]([O-])=O
Show InChI InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
Affinity DataKi:  1.52nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Heidelberg

Curated by ChEMBL
LigandPNGBDBM50165326(8-Chloro-2-phenyl-5H-3,3a,5,9b-tetraaza-cyclopenta...)
Show SMILES Clc1ccc2[nH]c(=O)n3nc(-c4ccccc4)c(=O)n3c2c1
Show InChI InChI=1S/C15H9ClN4O2/c16-10-6-7-11-12(8-10)19-14(21)13(9-4-2-1-3-5-9)18-20(19)15(22)17-11/h1-8H,(H,17,22)
Affinity DataKi:  1.74nMAssay Description:Displacement of [3H]-flumazenil from rat GABA-A Gamma-aminobutyric acid A receptor alpha1-beta2-gamma2 expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM86522(CAS_325715-02-4 | Indiplon)
Show SMILES CN(C(C)=O)c1cccc(c1)-c1ccnc2c(cnn12)C(=O)c1cccs1
Show InChI InChI=1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3
Affinity DataKi:  1.80nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Heidelberg

Curated by ChEMBL
LigandPNGBDBM50165329(8-Chloro-2-(4-methoxy-phenyl)-5H-3,3a,5,9b-tetraaz...)
Show SMILES COc1ccc(cc1)-c1nn2n(c3cc(Cl)ccc3[nH]c2=O)c1=O
Show InChI InChI=1S/C16H11ClN4O3/c1-24-11-5-2-9(3-6-11)14-15(22)20-13-8-10(17)4-7-12(13)18-16(23)21(20)19-14/h2-8H,1H3,(H,18,23)
Affinity DataKi:  1.82nMAssay Description:Displacement of [3H]-flumazenil from rat GABA-A Gamma-aminobutyric acid A receptor alpha1-beta2-gamma2 expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
Affinity DataKi:  1.88nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Heidelberg

Curated by ChEMBL
LigandPNGBDBM50001478(9H-beta-Carboline-3-carboxylic acid methyl ester |...)
Show SMILES COC(=O)c1cc2c(c[nH]1)nc1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,14H,1H3
Affinity DataKi:  1.90nMAssay Description:Binding affinity for mutant rat GABA-A receptor alpha-1-(arg)-beta-2-gamma-2 subunits expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
Affinity DataKi:  2.04nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
Affinity DataKi:  2.20nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM50019213(1,3-dihydro-7-nitro-5-(2-chlorophenyl)-2H-1,4.benz...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1
Show InChI InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
Affinity DataKi:  2.40nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Heidelberg

Curated by ChEMBL
LigandPNGBDBM50205615(3-iodo-8-ethoxypyrazolo[5,1-c][1,2,4]benzotriazine...)
Show SMILES CCOc1ccc2n[n+]([O-])c3c(I)cnn3c2c1
Show InChI InChI=1S/C11H9IN4O2/c1-2-18-7-3-4-9-10(5-7)15-11(16(17)14-9)8(12)6-13-15/h3-6H,2H2,1H3
Affinity DataKi:  2.60nMAssay Description:Displacement of [3H]Ro15-1788 from rat recombinant GABAalpha1beta2gamma2 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM50017320(8-Bromo-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-tria...)
Show SMILES CC(C)(C)OC(=O)c1ncn-2c1C1CCCN1C(=O)c1c(Br)cccc-21
Show InChI InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3
Affinity DataKi:  2.60nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Heidelberg

Curated by ChEMBL
LigandPNGBDBM50122013(8-Chloro-5-oxy-benzo[e]pyrazolo[5,1-c][1,2,4]triaz...)
Show SMILES [O-][n+]1nc2c(cnn2c2cc(Cl)ccc12)C(=O)OCc1cccs1
Show InChI InChI=1S/C15H9ClN4O3S/c16-9-3-4-12-13(6-9)19-14(18-20(12)22)11(7-17-19)15(21)23-8-10-2-1-5-24-10/h1-7H,8H2
Affinity DataKi:  3nMAssay Description:Displacement of [3H]-Ro-15-1788 from rat GABA-A receptor alpha1-beta2-gamma2 subunits expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Heidelberg

Curated by ChEMBL
LigandPNGBDBM50165325(2-(4-Methoxy-phenyl)-5H-3,3a,5,9b-tetraaza-cyclope...)
Show SMILES COc1ccc(cc1)-c1nn2n(c3ccccc3[nH]c2=O)c1=O
Show InChI InChI=1S/C16H12N4O3/c1-23-11-8-6-10(7-9-11)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)
Affinity DataKi:  3.76nMAssay Description:Displacement of [3H]-flumazenil from rat GABA-A Gamma-aminobutyric acid A receptor alpha1-beta2-gamma2 expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM22032(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)
Show SMILES CCC(C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Heidelberg

Curated by ChEMBL
LigandPNGBDBM50205622(8-ethoxy-3-iodo-benzo[e]pyrazolo[5,1-c][1,2,4]tria...)
Show SMILES CCOc1ccc2[n+]([O-])nc3c(I)cnn3c2c1
Show InChI InChI=1S/C11H9IN4O2/c1-2-18-7-3-4-9-10(5-7)15-11(14-16(9)17)8(12)6-13-15/h3-6H,2H2,1H3
Affinity DataKi:  4.10nMAssay Description:Displacement of [3H]Ro15-1788 from rat recombinant GABAalpha1beta2gamma2 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM22040(4 -chlorodiazepam | 4' Cl-diazepam | 7-chloro-...)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3
Affinity DataKi:  4.10nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Rattus norvegicus (Rat))
Heidelberg

Curated by ChEMBL
LigandPNGBDBM50078032(8-Chloro-3-thiophen-3-yl-benzo[e]pyrazolo[5,1-c][1...)
Show SMILES [O-][n+]1nc2c(cnn2c2cc(Cl)ccc12)-c1ccsc1
Show InChI InChI=1S/C13H7ClN4OS/c14-9-1-2-11-12(5-9)17-13(16-18(11)19)10(6-15-17)8-3-4-20-7-8/h1-7H
Affinity DataKi:  4.10nMAssay Description:Displacement of [3H]-Ro-15-1788 from rat GABA-A receptor alpha1-beta2-gamma2 subunits expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM22040(4 -chlorodiazepam | 4' Cl-diazepam | 7-chloro-...)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3
Affinity DataKi:  4.70nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM22040(4 -chlorodiazepam | 4' Cl-diazepam | 7-chloro-...)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3
Affinity DataKi:  4.80nMMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
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
In DepthDetails PubMed
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
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
TargetGamma-aminobutyric acid receptor subunit alpha-1(Rattus norvegicus (Rat))
Neurocrine Biosciences Inc

Curated by PDSP Ki Database
LigandPNGBDBM50129952(2-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-c...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1
Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-33,35-37H
Affinity DataKi:  6.17nMMore data for this Ligand-Target Pair
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