Compile Data Set for Download or QSAR
Found 1689 with Last Name = 'storer' and Initial = 'ri'
TargetGamma-aminobutyric acid receptor subunit alpha-5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Show SMILES CCOC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc-21
Show InChI InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3/t14-/m0/s1
Affinity DataKi:  0.450nMAssay Description:Positive allosteric modulation of GABAA alpha5 (unknown origin)More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50086246(CHEMBL3425758)
Show SMILES C(Nc1nc(Cc2ccccc2)cc2CCNCCc12)C1CC1
Show InChI InChI=1S/C20H25N3/c1-2-4-15(5-3-1)12-18-13-17-8-10-21-11-9-19(17)20(23-18)22-14-16-6-7-16/h1-5,13,16,21H,6-12,14H2,(H,22,23)
Affinity DataKi:  0.5nMAssay Description:Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-3(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50142570(9-(4-Methyl-thiazol-2-yl)-11-pyridin-4-yl-6,7-dihy...)
Show SMILES Cc1csc(n1)-c1cc(-c2ccncc2)c2-c3cnccc3CCCn2c1=O
Show InChI InChI=1S/C22H18N4OS/c1-14-13-28-21(25-14)18-11-17(16-4-7-23-8-5-16)20-19-12-24-9-6-15(19)3-2-10-26(20)22(18)27/h4-9,11-13H,2-3,10H2,1H3
Affinity DataKi:  0.5nMAssay Description:Positive allosteric modulation of GABAA alpha3 (unknown origin)More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50142570(9-(4-Methyl-thiazol-2-yl)-11-pyridin-4-yl-6,7-dihy...)
Show SMILES Cc1csc(n1)-c1cc(-c2ccncc2)c2-c3cnccc3CCCn2c1=O
Show InChI InChI=1S/C22H18N4OS/c1-14-13-28-21(25-14)18-11-17(16-4-7-23-8-5-16)20-19-12-24-9-6-15(19)3-2-10-26(20)22(18)27/h4-9,11-13H,2-3,10H2,1H3
Affinity DataKi:  0.600nMAssay Description:Positive allosteric modulation of GABAA alpha2 (unknown origin)More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50179998(7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1cc(F)ccc1F
Show InChI InChI=1S/C19H19F2N7O/c1-19(2,3)13-8-15-24-25-17(12-7-11(20)5-6-14(12)21)28(15)26-18(13)29-9-16-22-10-23-27(16)4/h5-8,10H,9H2,1-4H3
Affinity DataKi:  0.700nMAssay Description:Positive allosteric modulation of GABAA alpha2 (unknown origin)More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-3(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50179998(7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1cc(F)ccc1F
Show InChI InChI=1S/C19H19F2N7O/c1-19(2,3)13-8-15-24-25-17(12-7-11(20)5-6-14(12)21)28(15)26-18(13)29-9-16-22-10-23-27(16)4/h5-8,10H,9H2,1-4H3
Affinity DataKi:  0.700nMAssay Description:Positive allosteric modulation of GABAA alpha3 (unknown origin)More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-3(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50156083(3-tert-Butyl-7-(5-methyl-isoxazol-3-yl)-2-(2-methy...)
Show SMILES Cc1cc(no1)-c1nncc2c(c(OCc3ncnn3C)nn12)C(C)(C)C
Show InChI InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3
Affinity DataKi:  0.800nMAssay Description:Positive allosteric modulation of GABAA alpha3 (unknown origin)More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50156083(3-tert-Butyl-7-(5-methyl-isoxazol-3-yl)-2-(2-methy...)
Show SMILES Cc1cc(no1)-c1nncc2c(c(OCc3ncnn3C)nn12)C(C)(C)C
Show InChI InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3
Affinity DataKi:  0.800nMAssay Description:Positive allosteric modulation of GABAA alpha1 (unknown origin)More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50156083(3-tert-Butyl-7-(5-methyl-isoxazol-3-yl)-2-(2-methy...)
Show SMILES Cc1cc(no1)-c1nncc2c(c(OCc3ncnn3C)nn12)C(C)(C)C
Show InChI InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3
Affinity DataKi:  0.800nMAssay Description:Positive allosteric modulation of GABAA alpha2 (unknown origin)More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50142570(9-(4-Methyl-thiazol-2-yl)-11-pyridin-4-yl-6,7-dihy...)
Show SMILES Cc1csc(n1)-c1cc(-c2ccncc2)c2-c3cnccc3CCCn2c1=O
Show InChI InChI=1S/C22H18N4OS/c1-14-13-28-21(25-14)18-11-17(16-4-7-23-8-5-16)20-19-12-24-9-6-15(19)3-2-10-26(20)22(18)27/h4-9,11-13H,2-3,10H2,1H3
Affinity DataKi:  1.30nMAssay Description:Positive allosteric modulation of GABAA alpha1 (unknown origin)More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50156083(3-tert-Butyl-7-(5-methyl-isoxazol-3-yl)-2-(2-methy...)
Show SMILES Cc1cc(no1)-c1nncc2c(c(OCc3ncnn3C)nn12)C(C)(C)C
Show InChI InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3
Affinity DataKi:  1.40nMAssay Description:Positive allosteric modulation of GABAA alpha5 (unknown origin)More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-5(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50179998(7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...)
Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1cc(F)ccc1F
Show InChI InChI=1S/C19H19F2N7O/c1-19(2,3)13-8-15-24-25-17(12-7-11(20)5-6-14(12)21)28(15)26-18(13)29-9-16-22-10-23-27(16)4/h5-8,10H,9H2,1-4H3
Affinity DataKi:  2.30nMAssay Description:Positive allosteric modulation of GABAA alpha5 (unknown origin)More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50086248(CHEMBL3425756)
Show SMILES CCNc1nc(Cc2ccccc2)cc2CCNCCc12
Show InChI InChI=1S/C18H23N3/c1-2-20-18-17-9-11-19-10-8-15(17)13-16(21-18)12-14-6-4-3-5-7-14/h3-7,13,19H,2,8-12H2,1H3,(H,20,21)
Affinity DataKi:  3nMAssay Description:Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50086249(CHEMBL3425755)
Show SMILES CNc1nc(Cc2ccccc2)cc2CCNCCc12
Show InChI InChI=1S/C17H21N3/c1-18-17-16-8-10-19-9-7-14(16)12-15(20-17)11-13-5-3-2-4-6-13/h2-6,12,19H,7-11H2,1H3,(H,18,20)
Affinity DataKi:  3nMAssay Description:Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50086250(CHEMBL3425759)
Show SMILES CCCNc1nc(Cc2ccccc2)cc2CCNCCc12
Show InChI InChI=1S/C19H25N3/c1-2-10-21-19-18-9-12-20-11-8-16(18)14-17(22-19)13-15-6-4-3-5-7-15/h3-7,14,20H,2,8-13H2,1H3,(H,21,22)
Affinity DataKi:  4nMAssay Description:Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50019696(CHEMBL3286557)
Show SMILES CNc1nc(nc2CCNCCc12)C(F)(F)c1ccccc1
Show InChI InChI=1S/C16H18F2N4/c1-19-14-12-7-9-20-10-8-13(12)21-15(22-14)16(17,18)11-5-3-2-4-6-11/h2-6,20H,7-10H2,1H3,(H,19,21,22)
Affinity DataKi:  8nMAssay Description:Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assayMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50301297(2-benzyl-6,7,8,9-tetrahydro-2H-pyridazino[4,3-d]az...)
Show SMILES O=c1cc2CCNCCc2nn1Cc1ccccc1
Show InChI InChI=1S/C15H17N3O/c19-15-10-13-6-8-16-9-7-14(13)17-18(15)11-12-4-2-1-3-5-12/h1-5,10,16H,6-9,11H2
Affinity DataKi:  10nMAssay Description:Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50301297(2-benzyl-6,7,8,9-tetrahydro-2H-pyridazino[4,3-d]az...)
Show SMILES O=c1cc2CCNCCc2nn1Cc1ccccc1
Show InChI InChI=1S/C15H17N3O/c19-15-10-13-6-8-16-9-7-14(13)17-18(15)11-12-4-2-1-3-5-12/h1-5,10,16H,6-9,11H2
Affinity DataKi:  10nMAssay Description:Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50086252(CHEMBL3425762)
Show SMILES CN(C)c1nc(Cc2ccccc2)cc2CCNCCc12
Show InChI InChI=1S/C18H23N3/c1-21(2)18-17-9-11-19-10-8-15(17)13-16(20-18)12-14-6-4-3-5-7-14/h3-7,13,19H,8-12H2,1-2H3
Affinity DataKi:  12nMAssay Description:Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50086247(CHEMBL3425757)
Show SMILES CC(C)CNc1nc(Cc2ccccc2)cc2CCNCCc12
Show InChI InChI=1S/C20H27N3/c1-15(2)14-22-20-19-9-11-21-10-8-17(19)13-18(23-20)12-16-6-4-3-5-7-16/h3-7,13,15,21H,8-12,14H2,1-2H3,(H,22,23)
Affinity DataKi:  12nMAssay Description:Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50086251(CHEMBL3425760)
Show SMILES CC(C)Nc1nc(Cc2ccccc2)cc2CCNCCc12
Show InChI InChI=1S/C19H25N3/c1-14(2)21-19-18-9-11-20-10-8-16(18)13-17(22-19)12-15-6-4-3-5-7-15/h3-7,13-14,20H,8-12H2,1-2H3,(H,21,22)
Affinity DataKi:  13nMAssay Description:Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50161646((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
Affinity DataKi:  15nMAssay Description:Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293 cells by scintillation countingMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50019685(CHEMBL3286556)
Show SMILES CNc1nc(Cc2ccccc2)nc2[C@@H](C)CNCCc12
Show InChI InChI=1S/C17H22N4/c1-12-11-19-9-8-14-16(12)20-15(21-17(14)18-2)10-13-6-4-3-5-7-13/h3-7,12,19H,8-11H2,1-2H3,(H,18,20,21)/t12-/m0/s1
Affinity DataKi:  15nMAssay Description:Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assayMore data for this Ligand-Target Pair
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM185975(US9163008, 64 | US9656968, Compound 64)
Show SMILES C[C@H](Nc1cc(nc(n1)-c1ccc(Oc2ccc(Cl)cc2F)cc1)C(N)=O)C(N)=O
Show InChI InChI=1S/C20H17ClFN5O3/c1-10(18(23)28)25-17-9-15(19(24)29)26-20(27-17)11-2-5-13(6-3-11)30-16-7-4-12(21)8-14(16)22/h2-10H,1H3,(H2,23,28)(H2,24,29)(H,25,26,27)/t10-/m0/s1
Affinity DataKi:  16nMAssay Description:Inhibition of human Nav1.7 expressed in HEK293 cells by electrophysiology methodMore data for this Ligand-Target Pair
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50393023(CHEMBL2152688)
Show SMILES CS(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C24H22FN5O4S/c1-35(32,33)30-22(13-18-14-26-15-27-18)24(31)29-23-4-2-3-21(28-23)16-5-9-19(10-6-16)34-20-11-7-17(25)8-12-20/h2-12,14-15,22,30H,13H2,1H3,(H,26,27)(H,28,29,31)/t22-/m0/s1
Affinity DataKi:  19nMAssay Description:Inhibition of human Nav1.7 expressed in HEK293 cells by electrophysiology methodMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50019682(CHEMBL3286564)
Show SMILES C(c1ccccc1)c1nc2CCNCCc2c(n1)N1CCOCC1
Show InChI InChI=1S/C19H24N4O/c1-2-4-15(5-3-1)14-18-21-17-7-9-20-8-6-16(17)19(22-18)23-10-12-24-13-11-23/h1-5,20H,6-14H2
Affinity DataKi:  20nMAssay Description:Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assayMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50086245(CHEMBL3425761)
Show SMILES C(Nc1nc(Cc2ccccc2)cc2CCNCCc12)c1ccccc1
Show InChI InChI=1S/C23H25N3/c1-3-7-18(8-4-1)15-21-16-20-11-13-24-14-12-22(20)23(26-21)25-17-19-9-5-2-6-10-19/h1-10,16,24H,11-15,17H2,(H,25,26)
Affinity DataKi:  22nMAssay Description:Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi...More data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-3(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Show SMILES CCOC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc-21
Show InChI InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3/t14-/m0/s1
Affinity DataKi:  25nMAssay Description:Positive allosteric modulation of GABAA alpha3 (unknown origin)More data for this Ligand-Target Pair
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50497932(CHEMBL3341989)
Show SMILES NC(=O)c1cnc(nc1[C@@H](O)CO)-c1ccc(Oc2cc(F)cc(Cl)c2)cc1
Show InChI InChI=1S/C19H15ClFN3O4/c20-11-5-12(21)7-14(6-11)28-13-3-1-10(2-4-13)19-23-8-15(18(22)27)17(24-19)16(26)9-25/h1-8,16,25-26H,9H2,(H2,22,27)/t16-/m0/s1
Affinity DataKi:  27nMAssay Description:Inhibition of human Nav1.7 expressed in HEK293 cells by electrophysiology methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Show SMILES CCOC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc-21
Show InChI InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3/t14-/m0/s1
Affinity DataKi:  27nMAssay Description:Positive allosteric modulation of GABAA alpha2 (unknown origin)More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50019664(CHEMBL3286562)
Show SMILES CCNc1nc(Cc2ccccc2)nc2CCNCCc12
Show InChI InChI=1S/C17H22N4/c1-2-19-17-14-8-10-18-11-9-15(14)20-16(21-17)12-13-6-4-3-5-7-13/h3-7,18H,2,8-12H2,1H3,(H,19,20,21)
Affinity DataKi:  29nMAssay Description:Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assayMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50019691(CHEMBL3286565)
Show SMILES CNc1nc(nc2CCNCCc12)C(C)c1ccccc1
Show InChI InChI=1S/C17H22N4/c1-12(13-6-4-3-5-7-13)16-20-15-9-11-19-10-8-14(15)17(18-2)21-16/h3-7,12,19H,8-11H2,1-2H3,(H,18,20,21)
Affinity DataKi:  30nMAssay Description:Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assayMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50019663(CHEMBL3286561)
Show SMILES CNc1nc(Cc2ccccc2)nc2CCNCCc12
Show InChI InChI=1S/C16H20N4/c1-17-16-13-7-9-18-10-8-14(13)19-15(20-16)11-12-5-3-2-4-6-12/h2-6,18H,7-11H2,1H3,(H,17,19,20)
Affinity DataKi:  31nMAssay Description:Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assayMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50086253(CHEMBL3425763)
Show SMILES C(c1ccccc1)c1cc2CCNCCc2cn1
Show InChI InChI=1S/C16H18N2/c1-2-4-13(5-3-1)10-16-11-14-6-8-17-9-7-15(14)12-18-16/h1-5,11-12,17H,6-10H2
Affinity DataKi:  35nMAssay Description:Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50019662(CHEMBL3286560)
Show SMILES COc1nc(Cc2ccccc2)nc2CCNCCc12
Show InChI InChI=1S/C16H19N3O/c1-20-16-13-7-9-17-10-8-14(13)18-15(19-16)11-12-5-3-2-4-6-12/h2-6,17H,7-11H2,1H3
Affinity DataKi:  36nMAssay Description:Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assayMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50019691(CHEMBL3286565)
Show SMILES CNc1nc(nc2CCNCCc12)C(C)c1ccccc1
Show InChI InChI=1S/C17H22N4/c1-12(13-6-4-3-5-7-13)16-20-15-9-11-19-10-8-14(15)17(18-2)21-16/h3-7,12,19H,8-11H2,1-2H3,(H,18,20,21)
Affinity DataKi:  38nMAssay Description:Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assayMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50067424((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...)
Show SMILES CCOC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc-21
Show InChI InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3/t14-/m0/s1
Affinity DataKi:  49nMAssay Description:Positive allosteric modulation of GABAA alpha1 (unknown origin)More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50019692(CHEMBL3286566)
Show SMILES CNc1nc(nc2CCNCCc12)C(C)(C)c1ccccc1
Show InChI InChI=1S/C18H24N4/c1-18(2,13-7-5-4-6-8-13)17-21-15-10-12-20-11-9-14(15)16(19-3)22-17/h4-8,20H,9-12H2,1-3H3,(H,19,21,22)
Affinity DataKi:  50nMAssay Description:Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assayMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Rattus norvegicus (Rat))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50066789(3-((S)-1-Azetidin-2-ylmethoxy)-5-iodo-pyridine | A...)
Show SMILES Ic1cncc(OC[C@@H]2CCN2)c1
Show InChI InChI=1S/C9H11IN2O/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8/h3-5,8,12H,1-2,6H2/t8-/m0/s1
Affinity DataKi:  50nMAssay Description:Displacement of [3H]epibatidine from alpha4beta2 nAChR in rat brain membraneMore data for this Ligand-Target Pair
TargetNeuronal acetylcholine receptor subunit alpha-4/beta-2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50166908(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...)
Show SMILES C1C2CNCC1c1cc3nccnc3cc21
Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2
Affinity DataKi:  60nMAssay Description:Binding affinity to alpha4beta2 nAChR in rat cortexMore data for this Ligand-Target Pair
TargetHigh affinity choline transporter 1(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50451447(CHEMBL4217988)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(Oc2ccc(cc2C#N)S(=O)(=O)Nc2ncns2)c(c1)-c1ccnc(CNCCC2CCNCC2)c1
Show InChI InChI=1S/C35H32F3N7O3S2/c36-35(37,38)28-3-1-2-24(16-28)25-4-6-33(48-32-7-5-30(18-27(32)20-39)50(46,47)45-34-43-22-44-49-34)31(19-25)26-11-15-42-29(17-26)21-41-14-10-23-8-12-40-13-9-23/h1-7,11,15-19,22-23,40-41H,8-10,12-14,21H2,(H,43,44,45)
Affinity DataKi:  68nMAssay Description:Displacement of [3H]hemicholinium-3 from recombinant human choline transporter after 60 mins by scintillation counting methodMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50532828(CHEMBL4460600)
Show SMILES C(c1ccccc1)c1cc2CCNCCc2nn1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-14-11-13-6-8-16-9-7-15(13)18-17-14/h1-5,11,16H,6-10H2
Affinity DataKi:  80nMAssay Description:Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50532828(CHEMBL4460600)
Show SMILES C(c1ccccc1)c1cc2CCNCCc2nn1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-14-11-13-6-8-16-9-7-15(13)18-17-14/h1-5,11,16H,6-10H2
Affinity DataKi:  80nMAssay Description:Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50019695(CHEMBL3286555)
Show SMILES CNc1nc(Cc2ccccc2)nc2[C@H](C)CNCCc12
Show InChI InChI=1S/C17H22N4/c1-12-11-19-9-8-14-16(12)20-15(21-17(14)18-2)10-13-6-4-3-5-7-13/h3-7,12,19H,8-11H2,1-2H3,(H,18,20,21)/t12-/m1/s1
Affinity DataKi:  80nMAssay Description:Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assayMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50342539(2-(3-chlorobenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Clc1cccc(Cc2ncc3CCNCCc3n2)c1
Show InChI InChI=1S/C15H16ClN3/c16-13-3-1-2-11(8-13)9-15-18-10-12-4-6-17-7-5-14(12)19-15/h1-3,8,10,17H,4-7,9H2
Affinity DataKi:  84nMAssay Description:Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assayMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50019694(CHEMBL3286554)
Show SMILES CNc1nc(nc2CCNCCc12)C1(CC1)c1ccccc1
Show InChI InChI=1S/C18H22N4/c1-19-16-14-7-11-20-12-8-15(14)21-17(22-16)18(9-10-18)13-5-3-2-4-6-13/h2-6,20H,7-12H2,1H3,(H,19,21,22)
Affinity DataKi:  102nMAssay Description:Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assayMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50532829(CHEMBL4571336)
Show SMILES O=c1[nH]c2CCNCCc2nc1Cc1ccccc1
Show InChI InChI=1S/C15H17N3O/c19-15-14(10-11-4-2-1-3-5-11)17-12-6-8-16-9-7-13(12)18-15/h1-5,16H,6-10H2,(H,18,19)
Affinity DataKi:  110nMAssay Description:Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50532829(CHEMBL4571336)
Show SMILES O=c1[nH]c2CCNCCc2nc1Cc1ccccc1
Show InChI InChI=1S/C15H17N3O/c19-15-14(10-11-4-2-1-3-5-11)17-12-6-8-16-9-7-13(12)18-15/h1-5,16H,6-10H2,(H,18,19)
Affinity DataKi:  110nMAssay Description:Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50532827(CHEMBL4571641)
Show SMILES Clc1ccc(Cc2cc3CCNCCc3nn2)cc1
Show InChI InChI=1S/C15H16ClN3/c16-13-3-1-11(2-4-13)9-14-10-12-5-7-17-8-6-15(12)19-18-14/h1-4,10,17H,5-9H2
Affinity DataKi:  120nMAssay Description:Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
University of Cambridge

Curated by ChEMBL
LigandPNGBDBM50532827(CHEMBL4571641)
Show SMILES Clc1ccc(Cc2cc3CCNCCc3nn2)cc1
Show InChI InChI=1S/C15H16ClN3/c16-13-3-1-11(2-4-13)9-14-10-12-5-7-17-8-6-15(12)19-18-14/h1-4,10,17H,5-9H2
Affinity DataKi:  120nMAssay Description:Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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