Compile Data Set for Download or QSAR
Found 24 Enz. Inhib. hit(s) with all data for entry = 50030408
TargetHistamine H1 receptor(Homo sapiens (Human))
Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL
LigandPNGBDBM94597((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...)
Show SMILES CN1CCC(CC1)=C1c2ccsc2C(=O)Cc2ccccc12
Show InChI InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3
Affinity DataIC50: 1nMAssay Description:Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation countingMore data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL
LigandPNGBDBM50295714(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydr...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3Sc3ccc(cc23)C(O)=O)CC1
Show InChI InChI=1S/C27H31N5O4S/c1-28-24(18-25(33)29(2)27(28)36)31-13-5-11-30(15-16-31)12-6-14-32-20-7-3-4-8-22(20)37-23-10-9-19(26(34)35)17-21(23)32/h3-4,7-10,17-18H,5-6,11-16H2,1-2H3,(H,34,35)
Affinity DataIC50: 23nMAssay Description:Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation countingMore data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL
LigandPNGBDBM50295708(2-(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrah...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3Sc3ccc(CC(O)=O)cc23)CC1
Show InChI InChI=1S/C28H33N5O4S/c1-29-25(19-26(34)30(2)28(29)37)32-13-5-11-31(15-16-32)12-6-14-33-21-7-3-4-8-23(21)38-24-10-9-20(17-22(24)33)18-27(35)36/h3-4,7-10,17,19H,5-6,11-16,18H2,1-2H3,(H,35,36)
Affinity DataIC50: 23nMAssay Description:Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation countingMore data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL
LigandPNGBDBM50295718(6-(3-(4-(3,4-dichlorophenoxy)piperidin-1-yl)propyl...)
Show SMILES Cn1c(NCCCN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)cc(=O)n(C)c1=O
Show InChI InChI=1S/C20H26Cl2N4O3/c1-24-18(13-19(27)25(2)20(24)28)23-8-3-9-26-10-6-14(7-11-26)29-15-4-5-16(21)17(22)12-15/h4-5,12-14,23H,3,6-11H2,1-2H3
Affinity DataIC50: 28nMAssay Description:Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation countingMore data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL
LigandPNGBDBM50295710(10-(4-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydr...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCN(CCCCN2c3ccccc3Sc3ccc(cc23)C(O)=O)CC1
Show InChI InChI=1S/C27H31N5O4S/c1-28-24(18-25(33)29(2)27(28)36)31-15-13-30(14-16-31)11-5-6-12-32-20-7-3-4-8-22(20)37-23-10-9-19(26(34)35)17-21(23)32/h3-4,7-10,17-18H,5-6,11-16H2,1-2H3,(H,34,35)
Affinity DataIC50: 35nMAssay Description:Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation countingMore data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL
LigandPNGBDBM50295715(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydr...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(O)=O)CC1
Show InChI InChI=1S/C26H29N5O4S/c1-27-23(17-24(32)28(2)26(27)35)30-14-12-29(13-15-30)10-5-11-31-19-6-3-4-7-21(19)36-22-9-8-18(25(33)34)16-20(22)31/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H,33,34)
Affinity DataIC50: 37nMAssay Description:Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation countingMore data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL
LigandPNGBDBM50295709(2-(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrah...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCN(CCCN2c3ccccc3Sc3ccc(CC(O)=O)cc23)CC1
Show InChI InChI=1S/C27H31N5O4S/c1-28-24(18-25(33)29(2)27(28)36)31-14-12-30(13-15-31)10-5-11-32-20-6-3-4-7-22(20)37-23-9-8-19(16-21(23)32)17-26(34)35/h3-4,6-9,16,18H,5,10-15,17H2,1-2H3,(H,34,35)
Affinity DataIC50: 40nMAssay Description:Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation countingMore data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL
LigandPNGBDBM50295720(2-(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrah...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)C1=CCN(CCCN2c3ccccc3Sc3ccc(CC(O)=O)cc23)CC1
Show InChI InChI=1S/C28H30N4O4S/c1-29-22(18-26(33)30(2)28(29)36)20-10-14-31(15-11-20)12-5-13-32-21-6-3-4-7-24(21)37-25-9-8-19(16-23(25)32)17-27(34)35/h3-4,6-10,16,18H,5,11-15,17H2,1-2H3,(H,34,35)
Affinity DataIC50: 41nMAssay Description:Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation countingMore data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL
LigandPNGBDBM50295723(2-(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrah...)
Show SMILES CCC(C(O)=O)c1ccc2Sc3ccccc3N(CCCN3CCCN(CC3)c3cc(=O)n(C)c(=O)n3C)c2c1
Show InChI InChI=1S/C30H37N5O4S/c1-4-22(29(37)38)21-11-12-26-24(19-21)35(23-9-5-6-10-25(23)40-26)16-8-14-33-13-7-15-34(18-17-33)27-20-28(36)32(3)30(39)31(27)2/h5-6,9-12,19-20,22H,4,7-8,13-18H2,1-3H3,(H,37,38)
Affinity DataIC50: 41nMAssay Description:Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation countingMore data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL
LigandPNGBDBM50295717(10-((1-(3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahyd...)
Show SMILES Cn1c(NCCCN2CCC(CN3c4ccccc4Sc4ccc(cc34)C(O)=O)CC2)cc(=O)n(C)c1=O
Show InChI InChI=1S/C28H33N5O4S/c1-30-25(17-26(34)31(2)28(30)37)29-12-5-13-32-14-10-19(11-15-32)18-33-21-6-3-4-7-23(21)38-24-9-8-20(27(35)36)16-22(24)33/h3-4,6-9,16-17,19,29H,5,10-15,18H2,1-2H3,(H,35,36)
Affinity DataIC50: 46nMAssay Description:Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation countingMore data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL
LigandPNGBDBM50295716(10-((1-(3-((1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahy...)
Show SMILES CN(CCCN1CCC(CN2c3ccccc3Sc3ccc(cc23)C(O)=O)CC1)c1cc(=O)n(C)c(=O)n1C
Show InChI InChI=1S/C29H35N5O4S/c1-30(26-18-27(35)32(3)29(38)31(26)2)13-6-14-33-15-11-20(12-16-33)19-34-22-7-4-5-8-24(22)39-25-10-9-21(28(36)37)17-23(25)34/h4-5,7-10,17-18,20H,6,11-16,19H2,1-3H3,(H,36,37)
Affinity DataIC50: 53nMAssay Description:Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation countingMore data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL
LigandPNGBDBM50295718(6-(3-(4-(3,4-dichlorophenoxy)piperidin-1-yl)propyl...)
Show SMILES Cn1c(NCCCN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)cc(=O)n(C)c1=O
Show InChI InChI=1S/C20H26Cl2N4O3/c1-24-18(13-19(27)25(2)20(24)28)23-8-3-9-26-10-6-14(7-11-26)29-15-4-5-16(21)17(22)12-15/h4-5,12-14,23H,3,6-11H2,1-2H3
Affinity DataIC50: 58nMAssay Description:Inhibition of histamine H1 receptorMore data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL
LigandPNGBDBM50295726(3-(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrah...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3Sc3ccc(CCC(O)=O)cc23)CC1
Show InChI InChI=1S/C29H35N5O4S/c1-30-26(20-27(35)31(2)29(30)38)33-15-5-13-32(17-18-33)14-6-16-34-22-7-3-4-8-24(22)39-25-11-9-21(19-23(25)34)10-12-28(36)37/h3-4,7-9,11,19-20H,5-6,10,12-18H2,1-2H3,(H,36,37)
Affinity DataIC50: 69nMAssay Description:Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation countingMore data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL
LigandPNGBDBM50295725(2-(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrah...)
Show SMILES CC(C(O)=O)c1ccc2Sc3ccccc3N(CCCN3CCCN(CC3)c3cc(=O)n(C)c(=O)n3C)c2c1
Show InChI InChI=1S/C29H35N5O4S/c1-20(28(36)37)21-10-11-25-23(18-21)34(22-8-4-5-9-24(22)39-25)15-7-13-32-12-6-14-33(17-16-32)26-19-27(35)31(3)29(38)30(26)2/h4-5,8-11,18-20H,6-7,12-17H2,1-3H3,(H,36,37)
Affinity DataIC50: 72nMAssay Description:Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation countingMore data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL
LigandPNGBDBM22874(2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperi...)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)
Affinity DataIC50: 78nMAssay Description:Inhibition of histamine H1 receptorMore data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL
LigandPNGBDBM22874(2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperi...)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)
Affinity DataIC50: 78nMAssay Description:Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation countingMore data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL
LigandPNGBDBM50295722(2-(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrah...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3Sc3ccc(OCC(O)=O)cc23)CC1
Show InChI InChI=1S/C28H33N5O5S/c1-29-25(18-26(34)30(2)28(29)37)32-13-5-11-31(15-16-32)12-6-14-33-21-7-3-4-8-23(21)39-24-10-9-20(17-22(24)33)38-19-27(35)36/h3-4,7-10,17-18H,5-6,11-16,19H2,1-2H3,(H,35,36)
Affinity DataIC50: 88nMAssay Description:Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation countingMore data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL
LigandPNGBDBM50295727(3-(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrah...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCN(CCCN2c3ccccc3Sc3ccc(CCC(O)=O)cc23)CC1
Show InChI InChI=1S/C28H33N5O4S/c1-29-25(19-26(34)30(2)28(29)37)32-16-14-31(15-17-32)12-5-13-33-21-6-3-4-7-23(21)38-24-10-8-20(18-22(24)33)9-11-27(35)36/h3-4,6-8,10,18-19H,5,9,11-17H2,1-2H3,(H,35,36)
Affinity DataIC50: 105nMAssay Description:Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation countingMore data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL
LigandPNGBDBM50295724(2-(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrah...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3Sc3ccc(cc23)C(C)(C)C(O)=O)CC1
Show InChI InChI=1S/C30H37N5O4S/c1-30(2,28(37)38)21-11-12-25-23(19-21)35(22-9-5-6-10-24(22)40-25)16-8-14-33-13-7-15-34(18-17-33)26-20-27(36)32(4)29(39)31(26)3/h5-6,9-12,19-20H,7-8,13-18H2,1-4H3,(H,37,38)
Affinity DataIC50: 123nMAssay Description:Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation countingMore data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL
LigandPNGBDBM50295711(10-(2-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydr...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCN(CCN2c3ccccc3Sc3ccc(cc23)C(O)=O)CC1
Show InChI InChI=1S/C25H27N5O4S/c1-26-22(16-23(31)27(2)25(26)34)29-12-9-28(10-13-29)11-14-30-18-5-3-4-6-20(18)35-21-8-7-17(24(32)33)15-19(21)30/h3-8,15-16H,9-14H2,1-2H3,(H,32,33)
Affinity DataIC50: 124nMAssay Description:Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation countingMore data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL
LigandPNGBDBM50295721(3-(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrah...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3Sc3ccc(\C=C/C(O)=O)cc23)CC1
Show InChI InChI=1S/C29H33N5O4S/c1-30-26(20-27(35)31(2)29(30)38)33-15-5-13-32(17-18-33)14-6-16-34-22-7-3-4-8-24(22)39-25-11-9-21(19-23(25)34)10-12-28(36)37/h3-4,7-12,19-20H,5-6,13-18H2,1-2H3,(H,36,37)/b12-10-
Affinity DataIC50: 323nMAssay Description:Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation countingMore data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL
LigandPNGBDBM50295713(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydr...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3Sc3cccc(C(O)=O)c23)CC1
Show InChI InChI=1S/C27H31N5O4S/c1-28-23(18-24(33)29(2)27(28)36)31-14-6-12-30(16-17-31)13-7-15-32-20-9-3-4-10-21(20)37-22-11-5-8-19(25(22)32)26(34)35/h3-5,8-11,18H,6-7,12-17H2,1-2H3,(H,34,35)
Affinity DataIC50: 500nMAssay Description:Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation countingMore data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL
LigandPNGBDBM50295712(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydr...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3Sc3c2cccc3C(O)=O)CC1
Show InChI InChI=1S/C27H31N5O4S/c1-28-23(18-24(33)29(2)27(28)36)31-14-6-12-30(16-17-31)13-7-15-32-20-9-3-4-11-22(20)37-25-19(26(34)35)8-5-10-21(25)32/h3-5,8-11,18H,6-7,12-17H2,1-2H3,(H,34,35)
Affinity DataIC50: 500nMAssay Description:Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation countingMore data for this Ligand-Target Pair
TargetHistamine H1 receptor(Homo sapiens (Human))
Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL
LigandPNGBDBM50295719(5-chloro-2-(1-(3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-t...)
Show SMILES Cn1c(NCCCN2CCC(CC2)Oc2ccc(Cl)cc2C(O)=O)cc(=O)n(C)c1=O
Show InChI InChI=1S/C21H27ClN4O5/c1-24-18(13-19(27)25(2)21(24)30)23-8-3-9-26-10-6-15(7-11-26)31-17-5-4-14(22)12-16(17)20(28)29/h4-5,12-13,15,23H,3,6-11H2,1-2H3,(H,28,29)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of histamine H1 receptorMore data for this Ligand-Target Pair