Compile Data Set for Download or QSAR
Found 8559 Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor'
TargetHistamine H3 receptor(Macaca mulatta (Rhesus macaque))
Sanofi

US Patent
LigandPNGBDBM108297(US8604046, 77)
Show SMILES C[C@H]1CCCN1C1CCN(CC1)c1ccc(cc1)N1CCC2(CCN(CC2)C(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C29H44N4O3/c1-22-6-5-16-32(22)25-11-17-30(18-12-25)23-7-9-24(10-8-23)33-21-15-29(26(33)34)13-19-31(20-14-29)27(35)36-28(2,3)4/h7-10,22,25H,5-6,11-21H2,1-4H3/t22-/m0/s1
Affinity DataKi:  0.00800nMAssay Description:The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing r...More data for this Ligand-Target Pair
TargetHistamine H3 receptor(Rattus norvegicus (rat))
AbbVie Inc

US Patent
LigandPNGBDBM50434335(CHEMBL2386729 | US9181275, 3)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=C(C)N2Cc3ccccc3CN=C2S1
Show InChI InChI=1S/C26H31N3OS/c1-19-7-5-14-28(19)15-6-16-30-24-12-10-21(11-13-24)25-20(2)29-18-23-9-4-3-8-22(23)17-27-26(29)31-25/h3-4,8-13,19H,5-7,14-18H2,1-2H3/t19-/m1/s1
Affinity DataKi:  0.0200nM ΔG°:  -61.1kJ/moleT: 2°CAssay Description:To determine the effectiveness of representative compounds of this invention as histamine-3 receptor ligands (H3 receptor ligands), the following tes...More data for this Ligand-Target Pair
TargetHistamine H3 receptor(Rattus norvegicus (rat))
AbbVie Inc

US Patent
LigandPNGBDBM50434335(CHEMBL2386729 | US9181275, 3)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=C(C)N2Cc3ccccc3CN=C2S1
Show InChI InChI=1S/C26H31N3OS/c1-19-7-5-14-28(19)15-6-16-30-24-12-10-21(11-13-24)25-20(2)29-18-23-9-4-3-8-22(23)17-27-26(29)31-25/h3-4,8-13,19H,5-7,14-18H2,1-2H3/t19-/m1/s1
Affinity DataKi:  0.0200nMAssay Description:Binding affinity to histamine H3 receptor in rat cortical membranesMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(Rattus norvegicus (rat))
AbbVie Inc

US Patent
LigandPNGBDBM50434337(CHEMBL2386727 | US9181275, 1)
Show SMILES CC1=C(SC2=NCc3ccccc3CN12)c1ccc(OCCCN2CCC[C@H]2CO)cc1
Show InChI InChI=1S/C26H31N3O2S/c1-19-25(32-26-27-16-21-6-2-3-7-22(21)17-29(19)26)20-9-11-24(12-10-20)31-15-5-14-28-13-4-8-23(28)18-30/h2-3,6-7,9-12,23,30H,4-5,8,13-18H2,1H3/t23-/m0/s1
Affinity DataKi:  0.0300nMAssay Description:Binding affinity to histamine H3 receptor in rat cortical membranesMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(Homo sapiens (Human))
Suven Life Sciences Ltd

Curated by ChEMBL
LigandPNGBDBM50138119(CHEMBL3753475)
Show SMILES O=C1N(CCc2cc(OC3CCN(CC3)C3CCC3)ccc12)C1CCN(CC1)C1CCC1
Show InChI InChI=1S/C27H39N3O2/c31-27-26-8-7-25(32-24-12-16-29(17-13-24)22-5-2-6-22)19-20(26)9-18-30(27)23-10-14-28(15-11-23)21-3-1-4-21/h7-8,19,21-24H,1-6,9-18H2
Affinity DataKi:  0.0300nMAssay Description:Binding affinity to recombinant human H3 receptorMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(Macaca mulatta (Rhesus macaque))
Sanofi

US Patent
LigandPNGBDBM108281(US8604046, 61)
Show SMILES CC(C)(C)OC(=O)N1CCC2(CCCN(C2=O)c2ccc(cc2F)N2CC[C@@H](C2)N2CCCC2)CC1
Show InChI InChI=1S/C28H41FN4O3/c1-27(2,3)36-26(35)31-17-11-28(12-18-31)10-6-15-33(25(28)34)24-8-7-21(19-23(24)29)32-16-9-22(20-32)30-13-4-5-14-30/h7-8,19,22H,4-6,9-18,20H2,1-3H3/t22-/m0/s1
Affinity DataKi:  0.0300nMAssay Description:The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing r...More data for this Ligand-Target Pair
TargetHistamine H3 receptor(Homo sapiens (Human))
Suven Life Sciences Ltd

Curated by ChEMBL
LigandPNGBDBM50246381(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-3,8-di...)
Show SMILES Cc1cccc2c1nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O
Show InChI InChI=1S/C25H29N3O2/c1-17-5-3-8-22-23(17)26-24(27(2)25(22)29)18-9-11-20(12-10-18)30-21-13-15-28(16-14-21)19-6-4-7-19/h3,5,8-12,19,21H,4,6-7,13-16H2,1-2H3
Affinity DataKi:  0.0313nMAssay Description:Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assayMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(Rattus norvegicus (rat))
AbbVie Inc

US Patent
LigandPNGBDBM50434337(CHEMBL2386727 | US9181275, 1)
Show SMILES CC1=C(SC2=NCc3ccccc3CN12)c1ccc(OCCCN2CCC[C@H]2CO)cc1
Show InChI InChI=1S/C26H31N3O2S/c1-19-25(32-26-27-16-21-6-2-3-7-22(21)17-29(19)26)20-9-11-24(12-10-20)31-15-5-14-28-13-4-8-23(28)18-30/h2-3,6-7,9-12,23,30H,4-5,8,13-18H2,1H3/t23-/m0/s1
Affinity DataKi:  0.0320nM ΔG°:  -59.9kJ/moleT: 2°CAssay Description:To determine the effectiveness of representative compounds of this invention as histamine-3 receptor ligands (H3 receptor ligands), the following tes...More data for this Ligand-Target Pair
TargetHistamine H3 receptor(Macaca mulatta (Rhesus macaque))
Sanofi

US Patent
LigandPNGBDBM108294(US8604046, 74)
Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(cc1)N1CCCC2(CCN(CC2)C2CCOCC2)C1=O
Show InChI InChI=1S/C29H44N4O2/c1-23-4-2-15-32(23)27-9-17-31(22-27)24-5-7-26(8-6-24)33-16-3-12-29(28(33)34)13-18-30(19-14-29)25-10-20-35-21-11-25/h5-8,23,25,27H,2-4,9-22H2,1H3/t23-,27-/m0/s1
Affinity DataKi:  0.0400nMAssay Description:The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing r...More data for this Ligand-Target Pair
TargetHistamine H3 receptor(Macaca mulatta (Rhesus macaque))
Sanofi

US Patent
LigandPNGBDBM108315(US8604046, 95)
Show SMILES C[C@H]1CCCN1C1CCN(CC1)c1ccc(N2CCC3(CCN(CC4CC4)CC3)C2=O)c(F)c1
Show InChI InChI=1S/C28H41FN4O/c1-21-3-2-13-32(21)23-8-14-31(15-9-23)24-6-7-26(25(29)19-24)33-18-12-28(27(33)34)10-16-30(17-11-28)20-22-4-5-22/h6-7,19,21-23H,2-5,8-18,20H2,1H3/t21-/m0/s1
Affinity DataKi:  0.0400nMAssay Description:The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing r...More data for this Ligand-Target Pair
TargetHistamine H3 receptor(Homo sapiens (Human))
Suven Life Sciences Ltd

Curated by ChEMBL
LigandPNGBDBM50277100(4-(3-Piperidin-1-yl-propoxy)-benzoic acid 2-{4-[3-...)
Show SMILES FC(F)(F)c1ccc2Sc3ccccc3N(CCCN3CCN(CCOC(=O)c4ccc(OCCCN5CCCCC5)cc4)CC3)c2c1
Show InChI InChI=1S/C37H45F3N4O3S/c38-37(39,40)30-12-15-35-33(28-30)44(32-8-2-3-9-34(32)48-35)20-6-18-42-21-23-43(24-22-42)25-27-47-36(45)29-10-13-31(14-11-29)46-26-7-19-41-16-4-1-5-17-41/h2-3,8-15,28H,1,4-7,16-27H2
Affinity DataKi:  0.0420nMAssay Description:Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in CHO/HEK293 cellsMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(Homo sapiens (Human))
Suven Life Sciences Ltd

Curated by ChEMBL
LigandPNGBDBM50492784(CHEMBL2413837)
Show SMILES C(COc1ccc(cc1)-c1ccccc1CN1CCCCC1)CN1CCCCC1
Show InChI InChI=1S/C26H36N2O/c1-5-16-27(17-6-1)20-9-21-29-25-14-12-23(13-15-25)26-11-4-3-10-24(26)22-28-18-7-2-8-19-28/h3-4,10-15H,1-2,5-9,16-22H2
Affinity DataKi:  0.0450nMAssay Description:Displacement of [125I]iodoproxyfan from histamine H3 receptor (unknown origin) expressed in CHO cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHistamine H3 receptor(Rattus norvegicus (rat))
AbbVie Inc

US Patent
LigandPNGBDBM50434336(CHEMBL2386728 | US9181275, 2)
Show SMILES CC1=C(SC2=NCc3ccccc3CN12)c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C26H31N3OS/c1-20-25(31-26-27-18-22-8-3-4-9-23(22)19-29(20)26)21-10-12-24(13-11-21)30-17-7-16-28-14-5-2-6-15-28/h3-4,8-13H,2,5-7,14-19H2,1H3
Affinity DataKi:  0.0500nMAssay Description:Binding affinity to histamine H3 receptor in rat cortical membranesMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(Rattus norvegicus (rat))
AbbVie Inc

US Patent
LigandPNGBDBM50374100(CHEMBL270011)
Show SMILES C(Cc1ccc(cc1)C1=CC[C@H]2CN(Cc3ccccc3)C[C@@H]12)N1CCCC1
Show InChI InChI=1S/C26H32N2/c1-2-6-22(7-3-1)18-28-19-24-12-13-25(26(24)20-28)23-10-8-21(9-11-23)14-17-27-15-4-5-16-27/h1-3,6-11,13,24,26H,4-5,12,14-20H2/t24-,26+/m0/s1
Affinity DataKi:  0.0500nMAssay Description:Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortexMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(Rattus norvegicus (rat))
AbbVie Inc

US Patent
LigandPNGBDBM50374104(CHEMBL255962)
Show SMILES CC1CCCN1CCc1ccc(cc1)C1=CCC2CN(Cc3ccccc3)CC12
Show InChI InChI=1S/C27H34N2/c1-21-6-5-16-29(21)17-15-22-9-11-24(12-10-22)26-14-13-25-19-28(20-27(25)26)18-23-7-3-2-4-8-23/h2-4,7-12,14,21,25,27H,5-6,13,15-20H2,1H3
Affinity DataKi:  0.0500nMAssay Description:Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortexMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(Rattus norvegicus (rat))
AbbVie Inc

US Patent
LigandPNGBDBM50434336(CHEMBL2386728 | US9181275, 2)
Show SMILES CC1=C(SC2=NCc3ccccc3CN12)c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C26H31N3OS/c1-20-25(31-26-27-18-22-8-3-4-9-23(22)19-29(20)26)21-10-12-24(13-11-21)30-17-7-16-28-14-5-2-6-15-28/h3-4,8-13H,2,5-7,14-19H2,1H3
Affinity DataKi:  0.0500nM ΔG°:  -58.8kJ/moleT: 2°CAssay Description:To determine the effectiveness of representative compounds of this invention as histamine-3 receptor ligands (H3 receptor ligands), the following tes...More data for this Ligand-Target Pair
TargetHistamine H3 receptor(Homo sapiens (Human))
Suven Life Sciences Ltd

Curated by ChEMBL
LigandPNGBDBM50319536((R)-2-(4-methylpiperidin-1-yl)-6-(2-(2-methylpyrro...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)N1CCC(C)CC1
Show InChI InChI=1S/C22H31N3/c1-17-9-13-25(14-10-17)22-8-6-20-16-19(5-7-21(20)23-22)11-15-24-12-3-4-18(24)2/h5-8,16-18H,3-4,9-15H2,1-2H3/t18-/m1/s1
Affinity DataKi:  0.0500nMAssay Description:Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assayMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(Homo sapiens (Human))
Suven Life Sciences Ltd

Curated by ChEMBL
LigandPNGBDBM50319536((R)-2-(4-methylpiperidin-1-yl)-6-(2-(2-methylpyrro...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)N1CCC(C)CC1
Show InChI InChI=1S/C22H31N3/c1-17-9-13-25(14-10-17)22-8-6-20-16-19(5-7-21(20)23-22)11-15-24-12-3-4-18(24)2/h5-8,16-18H,3-4,9-15H2,1-2H3/t18-/m1/s1
Affinity DataKi:  0.0500nMAssay Description:Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptorMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(Homo sapiens (Human))
Suven Life Sciences Ltd

Curated by ChEMBL
LigandPNGBDBM50174619(CHEMBL197747 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(Nc3ccc(cn3)[N+]([O-])=O)ccc2o1
Show InChI InChI=1S/C20H22N4O3/c1-14-3-2-9-23(14)10-8-18-12-15-11-16(4-6-19(15)27-18)22-20-7-5-17(13-21-20)24(25)26/h4-7,11-14H,2-3,8-10H2,1H3,(H,21,22)/t14-/m1/s1
Affinity DataKi:  0.0500nMAssay Description:In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamineMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(Homo sapiens (Human))
Suven Life Sciences Ltd

Curated by ChEMBL
LigandPNGBDBM50492781(CHEMBL2413835)
Show SMILES C(COc1ccc(cc1)-c1ccc(\C=C/CN2CCCCC2)cc1)CN1CCCCC1
Show InChI InChI=1S/C28H38N2O/c1-3-18-29(19-4-1)22-7-9-25-10-12-26(13-11-25)27-14-16-28(17-15-27)31-24-8-23-30-20-5-2-6-21-30/h7,9-17H,1-6,8,18-24H2/b9-7-
Affinity DataKi:  0.0570nMAssay Description:Displacement of [125I]iodoproxyfan from histamine H3 receptor (unknown origin) expressed in CHO cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHistamine H3 receptor(Macaca mulatta (Rhesus macaque))
Sanofi

US Patent
LigandPNGBDBM108295(US8604046, 75)
Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(N2CCCC3(CCN(Cc4ccccc4)CC3)C2=O)c(F)c1
Show InChI InChI=1S/C31H41FN4O/c1-24-7-5-16-35(24)27-12-18-34(23-27)26-10-11-29(28(32)21-26)36-17-6-13-31(30(36)37)14-19-33(20-15-31)22-25-8-3-2-4-9-25/h2-4,8-11,21,24,27H,5-7,12-20,22-23H2,1H3/t24-,27-/m0/s1
Affinity DataKi:  0.0600nMAssay Description:The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing r...More data for this Ligand-Target Pair
TargetHistamine H3 receptor(Macaca mulatta (Rhesus macaque))
Sanofi

US Patent
LigandPNGBDBM108284(US8604046, 64)
Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(N2CCCC3(CCNCC3)C2=O)c(F)c1
Show InChI InChI=1S/C24H35FN4O/c1-18-4-2-13-28(18)20-7-15-27(17-20)19-5-6-22(21(25)16-19)29-14-3-8-24(23(29)30)9-11-26-12-10-24/h5-6,16,18,20,26H,2-4,7-15,17H2,1H3/t18-,20-/m0/s1
Affinity DataKi:  0.0600nMAssay Description:The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing r...More data for this Ligand-Target Pair
TargetHistamine H3 receptor(Homo sapiens (Human))
Suven Life Sciences Ltd

Curated by ChEMBL
LigandPNGBDBM50159110(1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piper...)
Show SMILES C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1
Show InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2
Affinity DataKi:  0.0603nMAssay Description:Binding affinity in Nluc-hH3R assessed in HEK293 cells by NanoBRET binding assayMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(Homo sapiens (Human))
Suven Life Sciences Ltd

Curated by ChEMBL
LigandPNGBDBM50246382(8-chloro-2-(4-(1-cyclobutylpiperidin-4-yloxy)pheny...)
Show SMILES Cn1c(nc2c(Cl)cccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C24H26ClN3O2/c1-27-23(26-22-20(24(27)29)6-3-7-21(22)25)16-8-10-18(11-9-16)30-19-12-14-28(15-13-19)17-4-2-5-17/h3,6-11,17,19H,2,4-5,12-15H2,1H3
Affinity DataKi:  0.0625nMAssay Description:Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assayMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(Homo sapiens (Human))
Suven Life Sciences Ltd

Curated by ChEMBL
LigandPNGBDBM50278495(4-chloro-1-(4-(3-(piperidin-1-yl)propoxy)benzyl)pi...)
Show SMILES ClC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
Show InChI InChI=1S/C20H31ClN2O/c21-19-9-14-23(15-10-19)17-18-5-7-20(8-6-18)24-16-4-13-22-11-2-1-3-12-22/h5-8,19H,1-4,9-17H2
Affinity DataKi:  0.0680nMAssay Description:Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in HEL293 cellsMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(Homo sapiens (Human))
Suven Life Sciences Ltd

Curated by ChEMBL
LigandPNGBDBM50246290(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-3-meth...)
Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C24H27N3O2/c1-26-23(25-22-8-3-2-7-21(22)24(26)28)17-9-11-19(12-10-17)29-20-13-15-27(16-14-20)18-5-4-6-18/h2-3,7-12,18,20H,4-6,13-16H2,1H3
Affinity DataKi:  0.0688nMAssay Description:Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assayMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(Rattus norvegicus (rat))
AbbVie Inc

US Patent
LigandPNGBDBM50232355((3aR,6aR)-2-(cyclopropylmethyl)-6-(4-(2-(pyrrolidi...)
Show SMILES C(Cc1ccc(cc1)C1=CC[C@H]2CN(CC3CC3)C[C@@H]12)N1CCCC1
Show InChI InChI=1S/C23H32N2/c1-2-13-24(12-1)14-11-18-5-7-20(8-6-18)22-10-9-21-16-25(17-23(21)22)15-19-3-4-19/h5-8,10,19,21,23H,1-4,9,11-17H2/t21-,23+/m0/s1
Affinity DataKi:  0.0700nMAssay Description:Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortexMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(Macaca mulatta (Rhesus macaque))
Sanofi

US Patent
LigandPNGBDBM108282(US8604046, 62)
Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(N2CCCC3(CCNCC3)C2=O)c(C)c1
Show InChI InChI=1S/C25H38N4O/c1-19-17-21(27-16-8-22(18-27)28-14-3-5-20(28)2)6-7-23(19)29-15-4-9-25(24(29)30)10-12-26-13-11-25/h6-7,17,20,22,26H,3-5,8-16,18H2,1-2H3/t20-,22-/m0/s1
Affinity DataKi:  0.0700nMAssay Description:The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing r...More data for this Ligand-Target Pair
TargetHistamine H3 receptor(Rattus norvegicus (rat))
AbbVie Inc

US Patent
LigandPNGBDBM50232355((3aR,6aR)-2-(cyclopropylmethyl)-6-(4-(2-(pyrrolidi...)
Show SMILES C(Cc1ccc(cc1)C1=CC[C@H]2CN(CC3CC3)C[C@@H]12)N1CCCC1
Show InChI InChI=1S/C23H32N2/c1-2-13-24(12-1)14-11-18-5-7-20(8-6-18)22-10-9-21-16-25(17-23(21)22)15-19-3-4-19/h5-8,10,19,21,23H,1-4,9,11-17H2/t21-,23+/m0/s1
Affinity DataKi:  0.0700nMAssay Description:Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membraneMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(Homo sapiens (Human))
Suven Life Sciences Ltd

Curated by ChEMBL
LigandPNGBDBM50246434(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-8-fluo...)
Show SMILES Cn1c(nc2c(F)cccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C24H26FN3O2/c1-27-23(26-22-20(24(27)29)6-3-7-21(22)25)16-8-10-18(11-9-16)30-19-12-14-28(15-13-19)17-4-2-5-17/h3,6-11,17,19H,2,4-5,12-15H2,1H3
Affinity DataKi:  0.0781nMAssay Description:Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assayMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(Rattus norvegicus (rat))
AbbVie Inc

US Patent
LigandPNGBDBM50074627(4-[2-(5,5-Dimethyl-hex-1-ynyl)-cyclopropyl]-1H-imi...)
Show SMILES CC(C)(C)CCC#CC1CC1c1cnc[nH]1
Show InChI InChI=1S/C14H20N2/c1-14(2,3)7-5-4-6-11-8-12(11)13-9-15-10-16-13/h9-12H,5,7-8H2,1-3H3,(H,15,16)
Affinity DataKi:  0.0800nMAssay Description:In vitro binding affinity was determined as displacement of [3H]N-R-methylhistamine from C6 cell membranes expressing rat histamine H3 receptorMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(Homo sapiens (Human))
Suven Life Sciences Ltd

Curated by ChEMBL
LigandPNGBDBM50174627(CHEMBL199245 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(Nc3cncnc3)ccc2o1
Show InChI InChI=1S/C19H22N4O/c1-14-3-2-7-23(14)8-6-18-10-15-9-16(4-5-19(15)24-18)22-17-11-20-13-21-12-17/h4-5,9-14,22H,2-3,6-8H2,1H3/t14-/m1/s1
Affinity DataKi:  0.0800nMAssay Description:In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamineMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(Rattus norvegicus (rat))
AbbVie Inc

US Patent
LigandPNGBDBM50374110(CHEMBL401954)
Show SMILES C(Cc1ccc(cc1)C1=CC[C@H]2CN(C[C@@H]12)C1CCCC1)N1CCCC1
Show InChI InChI=1S/C24H34N2/c1-2-6-22(5-1)26-17-21-11-12-23(24(21)18-26)20-9-7-19(8-10-20)13-16-25-14-3-4-15-25/h7-10,12,21-22,24H,1-6,11,13-18H2/t21-,24+/m0/s1
Affinity DataKi:  0.0800nMAssay Description:Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortexMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(Homo sapiens (Human))
Suven Life Sciences Ltd

Curated by ChEMBL
LigandPNGBDBM50158590(1-(3-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-b...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1cccc(c1)C(C)=O
Show InChI InChI=1S/C23H25NO2/c1-16-5-4-11-24(16)12-10-22-15-21-14-20(8-9-23(21)26-22)19-7-3-6-18(13-19)17(2)25/h3,6-9,13-16H,4-5,10-12H2,1-2H3/t16-/m1/s1
Affinity DataKi:  0.0800nMAssay Description:In vitro binding affinity was determined as displacement of [3H]N-R-methylhistamine from C6 cell membranes expressing human histamine H3 receptorMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(Macaca mulatta (Rhesus macaque))
Sanofi

US Patent
LigandPNGBDBM108310(US8604046, 90)
Show SMILES C[C@H]1CCCN1C1CCN(CC1)c1ccc(cc1)N1CCC2(CCN(CC2)C(=O)c2ccc(F)cc2)C1=O
Show InChI InChI=1S/C31H39FN4O2/c1-23-3-2-17-35(23)28-12-18-33(19-13-28)26-8-10-27(11-9-26)36-22-16-31(30(36)38)14-20-34(21-15-31)29(37)24-4-6-25(32)7-5-24/h4-11,23,28H,2-3,12-22H2,1H3/t23-/m0/s1
Affinity DataKi:  0.0800nMAssay Description:The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing r...More data for this Ligand-Target Pair
TargetHistamine H3 receptor(Rattus norvegicus (rat))
AbbVie Inc

US Patent
LigandPNGBDBM50319536((R)-2-(4-methylpiperidin-1-yl)-6-(2-(2-methylpyrro...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)N1CCC(C)CC1
Show InChI InChI=1S/C22H31N3/c1-17-9-13-25(14-10-17)22-8-6-20-16-19(5-7-21(20)23-22)11-15-24-12-3-4-18(24)2/h5-8,16-18H,3-4,9-15H2,1-2H3/t18-/m1/s1
Affinity DataKi:  0.0800nMAssay Description:Displacement of [3H]-N-alpha-methylhistamine from rat cloned histamine H3 receptorMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(GUINEA PIG)
The James Black Foundation

Curated by ChEMBL
LigandPNGBDBM50215536((R)-Alpha-Methylhistamine | CHEBI:73337 | CHEMBL26...)
Show SMILES C[C@@H](N)Cc1c[nH]cn1
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
Affinity DataKi:  0.0851nMAssay Description:Binding affinity towards histamine H3 receptor using [3H](R)-alpha-methylhistamine as radioligand in guinea pig cortical homogenatesMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(Homo sapiens (Human))
Suven Life Sciences Ltd

Curated by ChEMBL
LigandPNGBDBM50110291((7-Chloro-quinolin-4-yl)-[4-(3-piperidin-1-yl-prop...)
Show SMILES Clc1ccc2c(Nc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1
Show InChI InChI=1S/C23H26ClN3O/c24-18-5-10-21-22(11-12-25-23(21)17-18)26-19-6-8-20(9-7-19)28-16-4-15-27-13-2-1-3-14-27/h5-12,17H,1-4,13-16H2,(H,25,26)
Affinity DataKi:  0.0860nMAssay Description:Affinity for displacement of [125I]-iodoproxyfan from human histamine H3 receptors stably expressed in CHO cellsMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(Homo sapiens (Human))
Suven Life Sciences Ltd

Curated by ChEMBL
LigandPNGBDBM50158588((3,5-Difluoro-phenyl)-{2-[2-((R)-2-methyl-pyrrolid...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C22H21F2NO2/c1-14-3-2-7-25(14)8-6-20-12-16-9-15(4-5-21(16)27-20)22(26)17-10-18(23)13-19(24)11-17/h4-5,9-14H,2-3,6-8H2,1H3/t14-/m1/s1
Affinity DataKi:  0.0900nMAssay Description:In vitro binding affinity was determined as displacement of [3H]N-R-methylhistamine from C6 cell membranes expressing human histamine H3 receptorMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(Macaca mulatta (Rhesus macaque))
Sanofi

US Patent
LigandPNGBDBM108328(US8604046, 108)
Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(N2CCC3(CCNCC3)C2=O)c(c1)C(F)(F)F
Show InChI InChI=1S/C24H33F3N4O/c1-17-3-2-12-30(17)19-6-13-29(16-19)18-4-5-21(20(15-18)24(25,26)27)31-14-9-23(22(31)32)7-10-28-11-8-23/h4-5,15,17,19,28H,2-3,6-14,16H2,1H3/t17-,19-/m0/s1
Affinity DataKi:  0.0900nMAssay Description:The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing r...More data for this Ligand-Target Pair
TargetHistamine H3 receptor(Homo sapiens (Human))
Suven Life Sciences Ltd

Curated by ChEMBL
LigandPNGBDBM50110288(CHEMBL15153 | N-(4-(3-(piperidin-1-yl)propoxy)phen...)
Show SMILES C(COc1ccc(Nc2ccnc3ccccc23)cc1)CN1CCCCC1
Show InChI InChI=1S/C23H27N3O/c1-4-15-26(16-5-1)17-6-18-27-20-11-9-19(10-12-20)25-23-13-14-24-22-8-3-2-7-21(22)23/h2-3,7-14H,1,4-6,15-18H2,(H,24,25)
Affinity DataKi:  0.0910nMAssay Description:Affinity for displacement of [125I]-iodoproxyfan from human histamine H3 receptors stably expressed in CHO cellsMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(Homo sapiens (Human))
Suven Life Sciences Ltd

Curated by ChEMBL
LigandPNGBDBM50278350(4-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)benzyl)pi...)
Show SMILES FC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
Show InChI InChI=1S/C20H31FN2O/c21-19-9-14-23(15-10-19)17-18-5-7-20(8-6-18)24-16-4-13-22-11-2-1-3-12-22/h5-8,19H,1-4,9-17H2
Affinity DataKi:  0.0933nMAssay Description:Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cells after 90 minsMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(Homo sapiens (Human))
Suven Life Sciences Ltd

Curated by ChEMBL
LigandPNGBDBM50246334(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-7-meth...)
Show SMILES COc1ccc2c(c1)nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O
Show InChI InChI=1S/C25H29N3O3/c1-27-24(26-23-16-21(30-2)10-11-22(23)25(27)29)17-6-8-19(9-7-17)31-20-12-14-28(15-13-20)18-4-3-5-18/h6-11,16,18,20H,3-5,12-15H2,1-2H3
Affinity DataKi:  0.0938nMAssay Description:Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assayMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(Homo sapiens (Human))
Suven Life Sciences Ltd

Curated by ChEMBL
LigandPNGBDBM50246333(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-6-meth...)
Show SMILES COc1ccc2nc(-c3ccc(OC4CCN(CC4)C4CCC4)cc3)n(C)c(=O)c2c1
Show InChI InChI=1S/C25H29N3O3/c1-27-24(26-23-11-10-21(30-2)16-22(23)25(27)29)17-6-8-19(9-7-17)31-20-12-14-28(15-13-20)18-4-3-5-18/h6-11,16,18,20H,3-5,12-15H2,1-2H3
Affinity DataKi:  0.0938nMAssay Description:Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assayMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(Homo sapiens (Human))
Suven Life Sciences Ltd

Curated by ChEMBL
LigandPNGBDBM50246435(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-8-meth...)
Show SMILES COc1nccc2c1nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O
Show InChI InChI=1S/C24H28N4O3/c1-27-22(26-21-20(24(27)29)10-13-25-23(21)30-2)16-6-8-18(9-7-16)31-19-11-14-28(15-12-19)17-4-3-5-17/h6-10,13,17,19H,3-5,11-12,14-15H2,1-2H3
Affinity DataKi:  0.0938nMAssay Description:Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assayMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(Homo sapiens (Human))
Suven Life Sciences Ltd

Curated by ChEMBL
LigandPNGBDBM50278350(4-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)benzyl)pi...)
Show SMILES FC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
Show InChI InChI=1S/C20H31FN2O/c21-19-9-14-23(15-10-19)17-18-5-7-20(8-6-18)24-16-4-13-22-11-2-1-3-12-22/h5-8,19H,1-4,9-17H2
Affinity DataKi:  0.0940nMAssay Description:Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cells after 90 minsMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(Homo sapiens (Human))
Suven Life Sciences Ltd

Curated by ChEMBL
LigandPNGBDBM50278350(4-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)benzyl)pi...)
Show SMILES FC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
Show InChI InChI=1S/C20H31FN2O/c21-19-9-14-23(15-10-19)17-18-5-7-20(8-6-18)24-16-4-13-22-11-2-1-3-12-22/h5-8,19H,1-4,9-17H2
Affinity DataKi:  0.0940nMAssay Description:Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in HEL293 cellsMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(Homo sapiens (Human))
Suven Life Sciences Ltd

Curated by ChEMBL
LigandPNGBDBM50246287(3-benzyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl)qu...)
Show SMILES O=c1n(Cc2ccccc2)c(nc2ccccc12)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H31N3O2/c33-29-26-12-5-6-13-27(26)30-28(32(29)22-23-10-3-1-4-11-23)24-14-16-25(17-15-24)34-21-9-20-31-18-7-2-8-19-31/h1,3-6,10-17H,2,7-9,18-22H2
Affinity DataKi:  0.0969nMAssay Description:Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assayMore data for this Ligand-Target Pair
TargetHistamine H3 receptor(Homo sapiens (Human))
Suven Life Sciences Ltd

Curated by ChEMBL
LigandPNGBDBM50492783(CHEMBL2413824)
Show SMILES C(COc1ccc(cc1)-c1ccc(OCCCN2CCCCC2)cc1)CN1CCCCC1
Show InChI InChI=1S/C28H40N2O2/c1-3-17-29(18-4-1)21-7-23-31-27-13-9-25(10-14-27)26-11-15-28(16-12-26)32-24-8-22-30-19-5-2-6-20-30/h9-16H,1-8,17-24H2
Affinity DataKi:  0.100nMAssay Description:Displacement of [125I]iodoproxyfan from histamine H3 receptor (unknown origin) expressed in CHO cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHistamine H3 receptor(Macaca mulatta (Rhesus macaque))
Sanofi

US Patent
LigandPNGBDBM108316(US8604046, 96)
Show SMILES C[C@H]1CCCN1C1CCN(CC1)c1ccc(N2CCC3(CCN(CC4CCCC4)CC3)C2=O)c(F)c1
Show InChI InChI=1S/C30H45FN4O/c1-23-5-4-15-34(23)25-10-16-33(17-11-25)26-8-9-28(27(31)21-26)35-20-14-30(29(35)36)12-18-32(19-13-30)22-24-6-2-3-7-24/h8-9,21,23-25H,2-7,10-20,22H2,1H3/t23-/m0/s1
Affinity DataKi:  0.100nMAssay Description:The compounds of this invention have been demonstrated to displace [3H]- methylhistamine radioligand binding to mammalian cell membranes expressing r...More data for this Ligand-Target Pair
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