Compile Data Set for Download or QSAR
Found 487 with Last Name = 'imagawa' and Initial = 'a'
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553757(CHEMBL4746471)
Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC5)cnc4cc3OC(F)(F)F)cnc12
Show InChI InChI=1S/C20H18F3N5O3/c1-27-18(29)9-30-17-4-12(7-24-19(17)27)26-14-5-15-13(6-16(14)31-20(21,22)23)25-10-28(15)8-11-2-3-11/h4-7,10-11,26H,2-3,8-9H2,1H3
Affinity DataKi:  0.5nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553762(CHEMBL4758608)
Show SMILES Cc1cc(Nc2ccc(cn2)-c2cnc3ncccn23)nc2n(CC3CC3)cnc12
Show InChI InChI=1S/C22H20N8/c1-14-9-19(28-21-20(14)26-13-29(21)12-15-3-4-15)27-18-6-5-16(10-24-18)17-11-25-22-23-7-2-8-30(17)22/h2,5-11,13,15H,3-4,12H2,1H3,(H,24,27,28)
Affinity DataKi:  1nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553763(CHEMBL4785208)
Show SMILES Cc1cc(Nc2ccc(cn2)-n2ccnc2)nc2n(CC3CC3)cnc12
Show InChI InChI=1S/C19H19N7/c1-13-8-17(24-19-18(13)22-12-26(19)10-14-2-3-14)23-16-5-4-15(9-21-16)25-7-6-20-11-25/h4-9,11-12,14H,2-3,10H2,1H3,(H,21,23,24)
Affinity DataKi:  2nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553764(CHEMBL4749423)
Show SMILES Fc1cc(Nc2nc3n(CC4CC4)cnc3c(F)c2F)ccc1-n1ccnc1
Show InChI InChI=1S/C19H15F3N6/c20-13-7-12(3-4-14(13)27-6-5-23-9-27)25-18-16(22)15(21)17-19(26-18)28(10-24-17)8-11-1-2-11/h3-7,9-11H,1-2,8H2,(H,25,26)
Affinity DataKi:  2nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553754(CHEMBL4746482)
Show SMILES CN1C(=O)COc2cc(Nc3cc(c4ncn(CC5CC5)c4n3)C(F)(F)F)cnc12
Show InChI InChI=1S/C19H17F3N6O2/c1-27-15(29)8-30-13-4-11(6-23-17(13)27)25-14-5-12(19(20,21)22)16-18(26-14)28(9-24-16)7-10-2-3-10/h4-6,9-10H,2-3,7-8H2,1H3,(H,25,26)
Affinity DataKi:  2nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553761(CHEMBL4756857)
Show SMILES Cc1nnc(o1)-c1ccc(Nc2cc(C)c3ncn(CC4CC4)c3n2)nc1
Show InChI InChI=1S/C19H19N7O/c1-11-7-16(23-18-17(11)21-10-26(18)9-13-3-4-13)22-15-6-5-14(8-20-15)19-25-24-12(2)27-19/h5-8,10,13H,3-4,9H2,1-2H3,(H,20,22,23)
Affinity DataKi:  2nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553760(CHEMBL4757188)
Show SMILES FC(F)(F)c1cc(Nc2ccc(nc2)-n2cnc(Cl)c2)nc2n(cnc12)C1CC1
Show InChI InChI=1S/C18H13ClF3N7/c19-13-7-28(8-24-13)15-4-1-10(6-23-15)26-14-5-12(18(20,21)22)16-17(27-14)29(9-25-16)11-2-3-11/h1,4-9,11H,2-3H2,(H,26,27)
Affinity DataKi:  4nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553753(CHEMBL4799496)
Show SMILES CN1C(=O)COc2cc(Nc3cc(C)c4ncn(CC5CC5)c4n3)cnc12
Show InChI InChI=1S/C19H20N6O2/c1-11-5-15(23-19-17(11)21-10-25(19)8-12-3-4-12)22-13-6-14-18(20-7-13)24(2)16(26)9-27-14/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,22,23)
Affinity DataKi:  4nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553759(CHEMBL4760677)
Show SMILES Cc1cc(Nc2ccc(cn2)-c2ccncc2)nc2n(cnc12)C1CC1
Show InChI InChI=1S/C20H18N6/c1-13-10-18(25-20-19(13)23-12-26(20)16-3-4-16)24-17-5-2-15(11-22-17)14-6-8-21-9-7-14/h2,5-12,16H,3-4H2,1H3,(H,22,24,25)
Affinity DataKi:  7nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM400240(7-((1-(Cyclopropylmethyl)-5-fluoro-4-methyl-1H-ben...)
Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC5)cnc4c(C)c3F)cnc12
Show InChI InChI=1S/C20H20FN5O2/c1-11-18(21)14(6-15-19(11)23-10-26(15)8-12-3-4-12)24-13-5-16-20(22-7-13)25(2)17(27)9-28-16/h5-7,10,12,24H,3-4,8-9H2,1-2H3
Affinity DataKi:  7nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50526866(CHEMBL4581355)
Show SMILES Cc1c(F)c(Nc2ccc(cn2)-c2cn(C)cn2)cc2n(CC3CC3)cnc12
Show InChI InChI=1S/C21H21FN6/c1-13-20(22)16(7-18-21(13)25-12-28(18)9-14-3-4-14)26-19-6-5-15(8-23-19)17-10-27(2)11-24-17/h5-8,10-12,14H,3-4,9H2,1-2H3,(H,23,26)
Affinity DataKi:  8nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553765(CHEMBL4754539)
Show SMILES Cc1c(F)c(Nc2ccc(nc2)-n2ccnc2)nc2n(CC3CC3)cnc12
Show InChI InChI=1S/C19H18FN7/c1-12-16(20)18(25-19-17(12)23-11-27(19)9-13-2-3-13)24-14-4-5-15(22-8-14)26-7-6-21-10-26/h4-8,10-11,13H,2-3,9H2,1H3,(H,24,25)
Affinity DataKi:  9nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553749(CHEMBL4761336)
Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC5)cnc4cn3)ncc12
Show InChI InChI=1S/C18H18N6O2/c1-23-14-7-20-17(5-15(14)26-9-18(23)25)22-16-4-13-12(6-19-16)21-10-24(13)8-11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,20,22)
Affinity DataKi:  11nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553747(CHEMBL4753738)
Show SMILES CN1C(=O)C(F)(F)Oc2cc(Nc3cc4n(CC5CC5)cnc4cn3)ccc12
Show InChI InChI=1S/C19H17F2N5O2/c1-25-14-5-4-12(6-16(14)28-19(20,21)18(25)27)24-17-7-15-13(8-22-17)23-10-26(15)9-11-2-3-11/h4-8,10-11H,2-3,9H2,1H3,(H,22,24)
Affinity DataKi:  11nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553758(CHEMBL4800521)
Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC5)cnc4cc3F)cnc12
Show InChI InChI=1S/C19H18FN5O2/c1-24-18(26)9-27-17-4-12(7-21-19(17)24)23-14-6-16-15(5-13(14)20)22-10-25(16)8-11-2-3-11/h4-7,10-11,23H,2-3,8-9H2,1H3
Affinity DataKi:  12nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553756(CHEMBL4785991)
Show SMILES CN1C(=O)COc2cc(Nc3nc(C)c4ncn(CC5CC5)c4n3)cnc12
Show InChI InChI=1S/C18H19N7O2/c1-10-15-17(25(9-20-15)7-11-3-4-11)23-18(21-10)22-12-5-13-16(19-6-12)24(2)14(26)8-27-13/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,21,22,23)
Affinity DataKi:  14nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM400242(N-(6-(1H-Imidazol-1-yl)pyridin-3-yl)-3-(cyclopropy...)
Show SMILES Cc1cc(Nc2ccc(nc2)-n2ccnc2)nc2n(CC3CC3)cnc12
Show InChI InChI=1S/C19H19N7/c1-13-8-16(24-19-18(13)22-12-26(19)10-14-2-3-14)23-15-4-5-17(21-9-15)25-7-6-20-11-25/h4-9,11-12,14H,2-3,10H2,1H3,(H,23,24)
Affinity DataKi:  15nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553745(CHEMBL4785872)
Show SMILES CN1C(=O)CCc2cc(Nc3cc4n(CC5CC5)cnc4cn3)ccc12
Show InChI InChI=1S/C20H21N5O/c1-24-17-6-5-15(8-14(17)4-7-20(24)26)23-19-9-18-16(10-21-19)22-12-25(18)11-13-2-3-13/h5-6,8-10,12-13H,2-4,7,11H2,1H3,(H,21,23)
Affinity DataKi:  16nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553746(CHEMBL4764668)
Show SMILES CC1Oc2cc(Nc3cc4n(CC5CC5)cnc4cn3)ccc2N(C)C1=O
Show InChI InChI=1S/C20H21N5O2/c1-12-20(26)24(2)16-6-5-14(7-18(16)27-12)23-19-8-17-15(9-21-19)22-11-25(17)10-13-3-4-13/h5-9,11-13H,3-4,10H2,1-2H3,(H,21,23)
Affinity DataKi:  17nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553741(CHEMBL4748984)
Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC5)cnc4cn3)ccc12
Show InChI InChI=1S/C19H19N5O2/c1-23-15-5-4-13(6-17(15)26-10-19(23)25)22-18-7-16-14(8-20-18)21-11-24(16)9-12-2-3-12/h4-8,11-12H,2-3,9-10H2,1H3,(H,20,22)
Affinity DataKi:  17nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553755(CHEMBL4794600)
Show SMILES CN1C(=O)COc2cc(Nc3ncc4ncn(CC5CC5)c4n3)cnc12
Show InChI InChI=1S/C17H17N7O2/c1-23-14(25)8-26-13-4-11(5-18-16(13)23)21-17-19-6-12-15(22-17)24(9-20-12)7-10-2-3-10/h4-6,9-10H,2-3,7-8H2,1H3,(H,19,21,22)
Affinity DataKi:  17nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553752(CHEMBL4796770)
Show SMILES CN1C(=O)COc2cc(Nc3ccc4ncn(CC5CC5)c4n3)cnc12
Show InChI InChI=1S/C18H18N6O2/c1-23-16(25)9-26-14-6-12(7-19-18(14)23)21-15-5-4-13-17(22-15)24(10-20-13)8-11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,22)
Affinity DataKi:  19nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553750(CHEMBL4761610)
Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC5)cnc4cn3)cnc12
Show InChI InChI=1S/C18H18N6O2/c1-23-17(25)9-26-15-4-12(6-20-18(15)23)22-16-5-14-13(7-19-16)21-10-24(14)8-11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,22)
Affinity DataKi:  38nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553742(CHEMBL4759403)
Show SMILES O=C1COc2cc(Nc3cc4n(CC5CC5)cnc4cn3)ccc2N1
Show InChI InChI=1S/C18H17N5O2/c24-18-9-25-16-5-12(3-4-13(16)22-18)21-17-6-15-14(7-19-17)20-10-23(15)8-11-1-2-11/h3-7,10-11H,1-2,8-9H2,(H,19,21)(H,22,24)
Affinity DataKi:  42nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553748(CHEMBL4794167)
Show SMILES CN1C(=O)COc2nc(Nc3cc4n(CC5CC5)cnc4cn3)ccc12
Show InChI InChI=1S/C18H18N6O2/c1-23-13-4-5-15(22-18(13)26-9-17(23)25)21-16-6-14-12(7-19-16)20-10-24(14)8-11-2-3-11/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,21,22)
Affinity DataKi:  45nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553751(CHEMBL4759785)
Show SMILES CN1C(=O)COc2cc(Nc3cc4n(CC5CC5)cnc4c(C)n3)cnc12
Show InChI InChI=1S/C19H20N6O2/c1-11-18-14(25(10-21-18)8-12-3-4-12)6-16(22-11)23-13-5-15-19(20-7-13)24(2)17(26)9-27-15/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,22,23)
Affinity DataKi:  58nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553744(CHEMBL4741416)
Show SMILES Cn1c2ccc(Nc3cc4n(CC5CC5)cnc4cn3)cc2oc1=O
Show InChI InChI=1S/C18H17N5O2/c1-22-14-5-4-12(6-16(14)25-18(22)24)21-17-7-15-13(8-19-17)20-10-23(15)9-11-2-3-11/h4-8,10-11H,2-3,9H2,1H3,(H,19,21)
Affinity DataKi:  62nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553743(CHEMBL4760815)
Show SMILES CN1C(=O)COc2ccc(Nc3cc4n(CC5CC5)cnc4cn3)cc12
Show InChI InChI=1S/C19H19N5O2/c1-23-16-6-13(4-5-17(16)26-10-19(23)25)22-18-7-15-14(8-20-18)21-11-24(15)9-12-2-3-12/h4-8,11-12H,2-3,9-10H2,1H3,(H,20,22)
Affinity DataKi:  65nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553734(CHEMBL4778552)
Show SMILES COc1ccc(Nc2cc3n(CC4CC4)cnc3cn2)c(OC)c1
Show InChI InChI=1S/C18H20N4O2/c1-23-13-5-6-14(17(7-13)24-2)21-18-8-16-15(9-19-18)20-11-22(16)10-12-3-4-12/h5-9,11-12H,3-4,10H2,1-2H3,(H,19,21)
Affinity DataKi:  76nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553740(CHEMBL4776208)
Show SMILES Cc1nc2cc(Nc3cc4n(CC5CC5)cnc4cn3)ccc2o1
Show InChI InChI=1S/C18H17N5O/c1-11-21-14-6-13(4-5-17(14)24-11)22-18-7-16-15(8-19-18)20-10-23(16)9-12-2-3-12/h4-8,10,12H,2-3,9H2,1H3,(H,19,22)
Affinity DataKi:  85nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553738(CHEMBL4747349)
Show SMILES C(C1CC1)n1cnc2cnc(Nc3cccc(c3)N3CCOCC3)cc12
Show InChI InChI=1S/C20H23N5O/c1-2-16(10-17(3-1)24-6-8-26-9-7-24)23-20-11-19-18(12-21-20)22-14-25(19)13-15-4-5-15/h1-3,10-12,14-15H,4-9,13H2,(H,21,23)
Affinity DataKi:  119nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553739(CHEMBL4585261)
Show SMILES CC(=O)Nc1cccc(Nc2cc3n(CC4CC4)cnc3cn2)c1
Show InChI InChI=1S/C18H19N5O/c1-12(24)21-14-3-2-4-15(7-14)22-18-8-17-16(9-19-18)20-11-23(17)10-13-5-6-13/h2-4,7-9,11,13H,5-6,10H2,1H3,(H,19,22)(H,21,24)
Affinity DataKi:  319nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553735(CHEMBL4792380)
Show SMILES COc1ccc(Nc2cc3n(CC4CC4)cnc3cn2)cc1
Show InChI InChI=1S/C17H18N4O/c1-22-14-6-4-13(5-7-14)20-17-8-16-15(9-18-17)19-11-21(16)10-12-2-3-12/h4-9,11-12H,2-3,10H2,1H3,(H,18,20)
Affinity DataKi:  459nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553736(CHEMBL4798572)
Show SMILES C(C1CC1)n1cnc2cnc(Nc3ccccc3)cc12
Show InChI InChI=1S/C16H16N4/c1-2-4-13(5-3-1)19-16-8-15-14(9-17-16)18-11-20(15)10-12-6-7-12/h1-5,8-9,11-12H,6-7,10H2,(H,17,19)
Affinity DataKi:  972nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Charles River Discovery Research Services

Curated by ChEMBL
LigandPNGBDBM50553737(CHEMBL4796860)
Show SMILES C(Nc1cc2n(CC3CC3)cnc2cn1)C1CC1
Show InChI InChI=1S/C14H18N4/c1-2-10(1)6-15-14-5-13-12(7-16-14)17-9-18(13)8-11-3-4-11/h5,7,9-11H,1-4,6,8H2,(H,15,16)
Affinity DataKi: >1.50E+4nMAssay Description:Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 by scintillation proximity assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Setsunan University

Curated by ChEMBL
LigandPNGBDBM50104905(CHEMBL3597618)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C34H34ClNO5/c1-23-26(9-6-13-31(23)35)8-3-4-21-41-28-19-16-25(17-20-28)15-18-27-10-5-12-30-29(11-7-14-32(37)38)24(2)36(34(27)30)22-33(39)40/h5-6,9-10,12-13,16-17,19-20H,3-4,7-8,11,14,21-22H2,1-2H3,(H,37,38)(H,39,40)
Affinity DataIC50: 0.220nMAssay Description:Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Setsunan University

Curated by ChEMBL
LigandPNGBDBM50104904(CHEMBL3597617)
Show SMILES Cc1c(CCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C33H32ClNO5/c1-22-25(8-6-11-30(22)34)7-3-4-20-40-27-16-13-24(14-17-27)12-15-26-9-5-10-29-28(18-19-31(36)37)23(2)35(33(26)29)21-32(38)39/h5-6,8-11,13-14,16-17H,3-4,7,18-21H2,1-2H3,(H,36,37)(H,38,39)
Affinity DataIC50: 0.320nMAssay Description:Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Setsunan University

Curated by ChEMBL
LigandPNGBDBM50104883(CHEMBL3597616)
Show SMILES Cc1c(CC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C32H30ClNO5/c1-21-24(8-6-11-29(21)33)7-3-4-18-39-26-16-13-23(14-17-26)12-15-25-9-5-10-27-28(19-30(35)36)22(2)34(32(25)27)20-31(37)38/h5-6,8-11,13-14,16-17H,3-4,7,18-20H2,1-2H3,(H,35,36)(H,37,38)
Affinity DataIC50: 0.470nMAssay Description:Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Setsunan University

Curated by ChEMBL
LigandPNGBDBM50104872(CHEMBL3597535)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(\C=C\c3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C34H36ClNO5/c1-23-26(9-6-13-31(23)35)8-3-4-21-41-28-19-16-25(17-20-28)15-18-27-10-5-12-30-29(11-7-14-32(37)38)24(2)36(34(27)30)22-33(39)40/h5-6,9-10,12-13,15-20H,3-4,7-8,11,14,21-22H2,1-2H3,(H,37,38)(H,39,40)/b18-15+
Affinity DataIC50: 0.560nMAssay Description:Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...More data for this Ligand-Target Pair
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50578122(CHEMBL4849848)
Show SMILES Cc1cc(C)cc(c1)-c1cncc(-c2nc3cc(ccc3[nH]2)C(F)(F)F)c1N1CCC(N)CC1
Show InChI InChI=1S/C26H26F3N5/c1-15-9-16(2)11-17(10-15)20-13-31-14-21(24(20)34-7-5-19(30)6-8-34)25-32-22-4-3-18(26(27,28)29)12-23(22)33-25/h3-4,9-14,19H,5-8,30H2,1-2H3,(H,32,33)
Affinity DataIC50: 0.600nMAssay Description:Inhibition of human ERG expressed in CHO-K1 cells with holding potential -80 mV incubated for 5 mins by patch-clamp assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Setsunan University

Curated by ChEMBL
LigandPNGBDBM50104864(CHEMBL3597527)
Show SMILES Cc1c(Cl)cccc1CCCCOc1ccc(\C=C\c2cccc3c(CCCC(O)=O)cn(CC(O)=O)c23)cc1
Show InChI InChI=1S/C33H34ClNO5/c1-23-25(8-5-12-30(23)34)7-2-3-20-40-28-18-15-24(16-19-28)14-17-26-9-4-11-29-27(10-6-13-31(36)37)21-35(33(26)29)22-32(38)39/h4-5,8-9,11-12,14-19,21H,2-3,6-7,10,13,20,22H2,1H3,(H,36,37)(H,38,39)/b17-14+
Affinity DataIC50: 0.620nMAssay Description:Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Setsunan University

Curated by ChEMBL
LigandPNGBDBM50104910(CHEMBL3597623)
Show SMILES Cc1c(CCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CCCC(O)=O
Show InChI InChI=1S/C35H36ClNO5/c1-24-27(9-6-12-32(24)36)8-3-4-23-42-29-18-15-26(16-19-29)14-17-28-10-5-11-31-30(20-21-34(40)41)25(2)37(35(28)31)22-7-13-33(38)39/h5-6,9-12,15-16,18-19H,3-4,7-8,13,20-23H2,1-2H3,(H,38,39)(H,40,41)
Affinity DataIC50: 0.790nMAssay Description:Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Setsunan University

Curated by ChEMBL
LigandPNGBDBM50104869(CHEMBL3597532)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(\C=C\c3ccc(OCCCCc4cc(F)c(F)c(F)c4F)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C33H31F4NO5/c1-20-25(8-5-10-28(39)40)26-9-4-7-22(33(26)38(20)19-29(41)42)14-11-21-12-15-24(16-13-21)43-17-3-2-6-23-18-27(34)31(36)32(37)30(23)35/h4,7,9,11-16,18H,2-3,5-6,8,10,17,19H2,1H3,(H,39,40)(H,41,42)/b14-11+
Affinity DataIC50: 0.800nMAssay Description:Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...More data for this Ligand-Target Pair
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50578109(CHEMBL4863880)
Show SMILES Cc1cc(C)cc(NC(=O)c2cncc(-c3cc(C)cc(C)c3)c2N2CCC(N)CC2)c1
Show InChI InChI=1S/C27H32N4O/c1-17-9-18(2)12-21(11-17)24-15-29-16-25(26(24)31-7-5-22(28)6-8-31)27(32)30-23-13-19(3)10-20(4)14-23/h9-16,22H,5-8,28H2,1-4H3,(H,30,32)
Affinity DataIC50: 0.800nMAssay Description:Inhibition of human ERG expressed in CHO-K1 cells with holding potential -80 mV incubated for 5 mins by patch-clamp assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCysteinyl leukotriene receptor 2(Homo sapiens (Human))
Setsunan University

Curated by ChEMBL
LigandPNGBDBM50104905(CHEMBL3597618)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C34H34ClNO5/c1-23-26(9-6-13-31(23)35)8-3-4-21-41-28-19-16-25(17-20-28)15-18-27-10-5-12-30-29(11-7-14-32(37)38)24(2)36(34(27)30)22-33(39)40/h5-6,9-10,12-13,16-17,19-20H,3-4,7-8,11,14,21-22H2,1-2H3,(H,37,38)(H,39,40)
Affinity DataIC50: 0.880nMAssay Description:Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 2(Homo sapiens (Human))
Setsunan University

Curated by ChEMBL
LigandPNGBDBM50104883(CHEMBL3597616)
Show SMILES Cc1c(CC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C32H30ClNO5/c1-21-24(8-6-11-29(21)33)7-3-4-18-39-26-16-13-23(14-17-26)12-15-25-9-5-10-27-28(19-30(35)36)22(2)34(32(25)27)20-31(37)38/h5-6,8-11,13-14,16-17H,3-4,7,18-20H2,1-2H3,(H,35,36)(H,37,38)
Affinity DataIC50: 0.890nMAssay Description:Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...More data for this Ligand-Target Pair
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50578113(CHEMBL4854239)
Show SMILES NC1CCN(CC1)c1c(NC(=O)c2ccccc2)cncc1-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C23H22Cl2N4O/c24-17-10-16(11-18(25)12-17)20-13-27-14-21(22(20)29-8-6-19(26)7-9-29)28-23(30)15-4-2-1-3-5-15/h1-5,10-14,19H,6-9,26H2,(H,28,30)
Affinity DataIC50: 0.900nMAssay Description:Inhibition of human ERG expressed in CHO-K1 cells with holding potential -80 mV incubated for 5 mins by patch-clamp assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCysteinyl leukotriene receptor 2(Homo sapiens (Human))
Setsunan University

Curated by ChEMBL
LigandPNGBDBM50104867(CHEMBL3597530)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(\C=C\c3ccc(OCCCCc4c(F)ccc(F)c4F)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C33H32F3NO5/c1-21-25(8-5-10-30(38)39)26-9-4-6-23(33(26)37(21)20-31(40)41)14-11-22-12-15-24(16-13-22)42-19-3-2-7-27-28(34)17-18-29(35)32(27)36/h4,6,9,11-18H,2-3,5,7-8,10,19-20H2,1H3,(H,38,39)(H,40,41)/b14-11+
Affinity DataIC50: 1nMAssay Description:Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...More data for this Ligand-Target Pair
TargetCysteinyl leukotriene receptor 1(Homo sapiens (Human))
Setsunan University

Curated by ChEMBL
LigandPNGBDBM50104839(CHEMBL3597525)
Show SMILES OC(=O)CCCc1cn(CC(O)=O)c2c(\C=C\c3ccc(OCCCCc4c(F)ccc(F)c4F)cc3)cccc12
Show InChI InChI=1S/C32H30F3NO5/c33-27-16-17-28(34)31(35)26(27)7-1-2-18-41-24-14-11-21(12-15-24)10-13-22-5-3-8-25-23(6-4-9-29(37)38)19-36(32(22)25)20-30(39)40/h3,5,8,10-17,19H,1-2,4,6-7,9,18,20H2,(H,37,38)(H,39,40)/b13-10+
Affinity DataIC50: 1nMAssay Description:Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...More data for this Ligand-Target Pair
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
Ono Pharmaceutical Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50578123(CHEMBL4872591)
Show SMILES Cc1ccc2[nH]c(nc2c1)-c1cncc(-c2cc(C)cc(C)c2)c1N1CCC(N)CC1
Show InChI InChI=1S/C26H29N5/c1-16-4-5-23-24(13-16)30-26(29-23)22-15-28-14-21(19-11-17(2)10-18(3)12-19)25(22)31-8-6-20(27)7-9-31/h4-5,10-15,20H,6-9,27H2,1-3H3,(H,29,30)
Affinity DataIC50: 1nMAssay Description:Inhibition of human ERG expressed in CHO-K1 cells with holding potential -80 mV incubated for 5 mins by patch-clamp assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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