Compile Data Set for Download or QSAR
Found 2192 Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1D'
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50413549(CHEMBL513715)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3NC(=O)COc23)CC1
Show InChI InChI=1S/C24H26N4O2/c1-17-8-9-19-20(25-17)5-3-7-22(19)28-14-12-27(13-15-28)11-10-18-4-2-6-21-24(18)30-16-23(29)26-21/h2-9H,10-16H2,1H3,(H,26,29)
Affinity DataKi:  0.0501nMAssay Description:Antagonist activity at human 5HT1D assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HTMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50413549(CHEMBL513715)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3NC(=O)COc23)CC1
Show InChI InChI=1S/C24H26N4O2/c1-17-8-9-19-20(25-17)5-3-7-22(19)28-14-12-27(13-15-28)11-10-18-4-2-6-21-24(18)30-16-23(29)26-21/h2-9H,10-16H2,1H3,(H,26,29)
Affinity DataKi:  0.0501nMAssay Description:Antagonist activity at human 5-HT1D receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assayMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(RAT)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50280055(50285557 | 7-Methyl-4,6,6a,7,8,9,10,10a-octahydro-...)
Show SMILES CN1CC(CC2C1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)C3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O
Show InChI InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21?,23?,25?,26-,27?,32+,33-/m0/s1
Affinity DataKi:  0.0600nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(RAT)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50027065((5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)e...)
Show SMILES CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O
Show InChI InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1
Affinity DataKi:  0.0700nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50413560(CHEMBL469374)
Show SMILES CN1C(=O)COc2c(CCN3CCN(CC3)c3cc(F)cc4nc(C)ccc34)cccc12
Show InChI InChI=1S/C25H27FN4O2/c1-17-6-7-20-21(27-17)14-19(26)15-23(20)30-12-10-29(11-13-30)9-8-18-4-3-5-22-25(18)32-16-24(31)28(22)2/h3-7,14-15H,8-13,16H2,1-2H3
Affinity DataKi:  0.0794nMAssay Description:Antagonist activity at human 5HT1D assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HTMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50417409(CHEMBL1290487)
Show SMILES CN1C(=O)CCc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
Show InChI InChI=1S/C26H30N4O/c1-19-9-10-22-23(27-19)6-4-8-25(22)30-17-15-29(16-18-30)14-13-20-5-3-7-24-21(20)11-12-26(31)28(24)2/h3-10H,11-18H2,1-2H3
Affinity DataKi:  0.0794nMAssay Description:Antagonist activity at human 5-HT1D receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assayMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50054988(2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-N-[4-(4-{2-...)
Show SMILES NCCc1c[nH]c2ccc(OCC(=O)Nc3ccc(cc3)N3CCN(CC3)C(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
Show InChI InChI=1S/C34H39N7O4/c35-11-9-23-19-37-31-7-5-27(17-29(23)31)44-21-33(42)39-25-1-3-26(4-2-25)40-13-15-41(16-14-40)34(43)22-45-28-6-8-32-30(18-28)24(10-12-36)20-38-32/h1-8,17-20,37-38H,9-16,21-22,35-36H2,(H,39,42)
Affinity DataKi:  0.0900nMAssay Description:Ability to inhibit the forskolin-stimulated c-AMP formation mediated by human 5-hydroxytryptamine 1D receptor in CHO-K1 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50413550(CHEMBL469345)
Show SMILES CN1C(=O)COc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
Show InChI InChI=1S/C25H28N4O2/c1-18-9-10-20-21(26-18)6-4-7-22(20)29-15-13-28(14-16-29)12-11-19-5-3-8-23-25(19)31-17-24(30)27(23)2/h3-10H,11-17H2,1-2H3
Affinity DataKi:  0.100nMAssay Description:Antagonist activity at human 5-HT1D receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assayMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50413077(CHEMBL522257)
Show SMILES CN1C(=O)COc2ccc(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cc12
Show InChI InChI=1S/C25H28N4O2/c1-18-6-8-20-21(26-18)4-3-5-22(20)29-14-12-28(13-15-29)11-10-19-7-9-24-23(16-19)27(2)25(30)17-31-24/h3-9,16H,10-15,17H2,1-2H3
Affinity DataKi:  0.100nMAssay Description:Antagonist activity at human 5HT1D assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HTMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50417420(CHEMBL1290486)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3NC(=O)CCc23)CC1
Show InChI InChI=1S/C25H28N4O/c1-18-8-9-21-23(26-18)6-3-7-24(21)29-16-14-28(15-17-29)13-12-19-4-2-5-22-20(19)10-11-25(30)27-22/h2-9H,10-17H2,1H3,(H,27,30)
Affinity DataKi:  0.100nMAssay Description:Antagonist activity at human 5-HT1D receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assayMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50054981(2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-N-(4-{2-[3-...)
Show SMILES NCCc1c[nH]c2ccc(OCC(=O)Nc3ccc(NC(=O)COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12
Show InChI InChI=1S/C30H32N6O4/c31-11-9-19-15-33-27-7-5-23(13-25(19)27)39-17-29(37)35-21-1-2-22(4-3-21)36-30(38)18-40-24-6-8-28-26(14-24)20(10-12-32)16-34-28/h1-8,13-16,33-34H,9-12,17-18,31-32H2,(H,35,37)(H,36,38)
Affinity DataKi:  0.110nMAssay Description:Ability to inhibit the forskolin-stimulated c-AMP formation mediated by human 5-hydroxytryptamine 1D receptor in CHO-K1 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50054974(2-(5-((4-((3-(2-aminoethyl)-1H-indol-5-yloxy)methy...)
Show SMILES NCCc1c[nH]c2ccc(OCc3ccc(COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12
Show InChI InChI=1S/C28H30N4O2/c29-11-9-21-15-31-27-7-5-23(13-25(21)27)33-17-19-1-2-20(4-3-19)18-34-24-6-8-28-26(14-24)22(10-12-30)16-32-28/h1-8,13-16,31-32H,9-12,17-18,29-30H2
Affinity DataKi:  0.110nMAssay Description:Ability to inhibit the forskolin-stimulated c-AMP formation mediated by human 5-hydroxytryptamine 1D receptor in CHO-K1 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50054974(2-(5-((4-((3-(2-aminoethyl)-1H-indol-5-yloxy)methy...)
Show SMILES NCCc1c[nH]c2ccc(OCc3ccc(COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12
Show InChI InChI=1S/C28H30N4O2/c29-11-9-21-15-31-27-7-5-23(13-25(21)27)33-17-19-1-2-20(4-3-19)18-34-24-6-8-28-26(14-24)22(10-12-30)16-32-28/h1-8,13-16,31-32H,9-12,17-18,29-30H2
Affinity DataKi:  0.110nMAssay Description:Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation countingMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM79215(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
Affinity DataKi:  0.120nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM79215(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
Affinity DataKi:  0.126nMAssay Description:Binding affinity against 5-hydroxytryptamine 1D receptor betaMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50417411(CHEMBL1290715)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3[nH]c(=O)ccc23)CC1
Show InChI InChI=1S/C25H26N4O/c1-18-8-9-21-23(26-18)6-3-7-24(21)29-16-14-28(15-17-29)13-12-19-4-2-5-22-20(19)10-11-25(30)27-22/h2-11H,12-17H2,1H3,(H,27,30)
Affinity DataKi:  0.126nMAssay Description:Antagonist activity at human 5-HT1D receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assayMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50417424(CHEMBL1289394)
Show SMILES C[C@@H]1CN(CCN1CCc1cccc2n(C)c(=O)ccc12)c1cc(F)cc2nc(C)ccc12
Show InChI InChI=1S/C27H29FN4O/c1-18-7-8-23-24(29-18)15-21(28)16-26(23)32-14-13-31(19(2)17-32)12-11-20-5-4-6-25-22(20)9-10-27(33)30(25)3/h4-10,15-16,19H,11-14,17H2,1-3H3/t19-/m1/s1
Affinity DataKi:  0.126nMAssay Description:Antagonist activity at human 5-HT1D receptor expressed in CHO cells assessed as inhibition of GTPgammaS binding by scintillation proximity assayMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50280055(50285557 | 7-Methyl-4,6,6a,7,8,9,10,10a-octahydro-...)
Show SMILES CN1CC(CC2C1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)C3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O
Show InChI InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21?,23?,25?,26-,27?,32+,33-/m0/s1
Affinity DataKi:  0.130nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50280055(50285557 | 7-Methyl-4,6,6a,7,8,9,10,10a-octahydro-...)
Show SMILES CN1CC(CC2C1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)C3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O
Show InChI InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21?,23?,25?,26-,27?,32+,33-/m0/s1
Affinity DataKi:  0.130nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50413555(CHEMBL469568)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3N(C4CC4)C(=O)COc23)CC1
Show InChI InChI=1S/C27H30N4O2/c1-19-8-11-22-23(28-19)5-3-6-24(22)30-16-14-29(15-17-30)13-12-20-4-2-7-25-27(20)33-18-26(32)31(25)21-9-10-21/h2-8,11,21H,9-10,12-18H2,1H3
Affinity DataKi:  0.158nMAssay Description:Antagonist activity at human 5HT1D assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HTMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50413084(CHEMBL521506)
Show SMILES Cc1ccc2c(cc(Cl)cc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H25ClN4O2/c1-16-2-4-19-20(26-16)13-18(25)14-22(19)29-10-8-28(9-11-29)7-6-17-3-5-23-21(12-17)27-24(30)15-31-23/h2-5,12-14H,6-11,15H2,1H3,(H,27,30)
Affinity DataKi:  0.158nMAssay Description:Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50413078(CHEMBL491839)
Show SMILES CC1(C)Cc2cccc(N3CCN(CCc4ccc5OCC(=O)Nc5c4)CC3)c2O1
Show InChI InChI=1S/C24H29N3O3/c1-24(2)15-18-4-3-5-20(23(18)30-24)27-12-10-26(11-13-27)9-8-17-6-7-21-19(14-17)25-22(28)16-29-21/h3-7,14H,8-13,15-16H2,1-2H3,(H,25,28)
Affinity DataKi:  0.158nMAssay Description:Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50412441(CHEMBL490417 | SB-744185)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H26N4O2/c1-17-5-7-19-20(25-17)3-2-4-22(19)28-13-11-27(12-14-28)10-9-18-6-8-23-21(15-18)26-24(29)16-30-23/h2-8,15H,9-14,16H2,1H3,(H,26,29)
Affinity DataKi:  0.158nMAssay Description:Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50054987(2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-(4-{2-[3-...)
Show SMILES NCCc1c[nH]c2ccc(OCCN3CCN(CC3)C(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
Show InChI InChI=1S/C28H36N6O3/c29-7-5-20-17-31-26-3-1-22(15-24(20)26)36-14-13-33-9-11-34(12-10-33)28(35)19-37-23-2-4-27-25(16-23)21(6-8-30)18-32-27/h1-4,15-18,31-32H,5-14,19,29-30H2
Affinity DataKi:  0.160nMAssay Description:Ability to inhibit the forskolin-stimulated c-AMP formation mediated by human 5-hydroxytryptamine 1D receptor in CHO-K1 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50054976(2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-N-{2-[3-(2-...)
Show SMILES NCCc1c[nH]c2ccc(OCCNC(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
Show InChI InChI=1S/C24H29N5O3/c25-7-5-16-13-28-22-3-1-18(11-20(16)22)31-10-9-27-24(30)15-32-19-2-4-23-21(12-19)17(6-8-26)14-29-23/h1-4,11-14,28-29H,5-10,15,25-26H2,(H,27,30)
Affinity DataKi:  0.180nMAssay Description:Ability to inhibit the forskolin-stimulated c-AMP formation mediated by human 5-hydroxytryptamine 1D receptor in CHO-K1 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50413553(CHEMBL472290)
Show SMILES CCN1C(=O)COc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
Show InChI InChI=1S/C26H30N4O2/c1-3-30-24-9-4-6-20(26(24)32-18-25(30)31)12-13-28-14-16-29(17-15-28)23-8-5-7-22-21(23)11-10-19(2)27-22/h4-11H,3,12-18H2,1-2H3
Affinity DataKi:  0.200nMAssay Description:Antagonist activity at human 5HT1D assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HTMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50413087(CHEMBL497980)
Show SMILES Cc1ccc2c(ccc(Cl)c2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H25ClN4O2/c1-16-2-4-18-21(6-5-19(25)24(18)26-16)29-12-10-28(11-13-29)9-8-17-3-7-22-20(14-17)27-23(30)15-31-22/h2-7,14H,8-13,15H2,1H3,(H,27,30)
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50413698(CHEMBL459282)
Show SMILES CN1CCC(CC1)c1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Show InChI InChI=1S/C30H39N3O/c1-23-9-10-28-29(31-23)7-4-8-30(28)34-20-19-33-17-11-24(12-18-33)21-25-5-3-6-27(22-25)26-13-15-32(2)16-14-26/h3-10,22,24,26H,11-21H2,1-2H3
Affinity DataKi:  0.200nMAssay Description:Displacement of 3H]5HT from human 5HT1D receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50413079(CHEMBL444398)
Show SMILES Cc1cc2c(cccc2[nH]1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C23H26N4O2/c1-16-13-18-19(24-16)3-2-4-21(18)27-11-9-26(10-12-27)8-7-17-5-6-22-20(14-17)25-23(28)15-29-22/h2-6,13-14,24H,7-12,15H2,1H3,(H,25,28)
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50413085(CHEMBL485491)
Show SMILES Cc1ccc2c(cc(F)cc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H25FN4O2/c1-16-2-4-19-20(26-16)13-18(25)14-22(19)29-10-8-28(9-11-29)7-6-17-3-5-23-21(12-17)27-24(30)15-31-23/h2-5,12-14H,6-11,15H2,1H3,(H,27,30)
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50413075(CHEMBL489394)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cc(F)c3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H25FN4O2/c1-16-5-6-18-20(26-16)3-2-4-22(18)29-11-9-28(10-12-29)8-7-17-13-19(25)24-21(14-17)27-23(30)15-31-24/h2-6,13-14H,7-12,15H2,1H3,(H,27,30)
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50412441(CHEMBL490417 | SB-744185)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H26N4O2/c1-17-5-7-19-20(25-17)3-2-4-22(19)28-13-11-27(12-14-28)10-9-18-6-8-23-21(15-18)26-24(29)16-30-23/h2-8,15H,9-14,16H2,1H3,(H,26,29)
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]5HT from human cloned 5HT1D receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50090516(5-tert-Butyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C(C)(C)C
Show InChI InChI=1S/C18H26N2/c1-18(2,3)14-7-8-17-16(11-14)13(12-19-17)10-15-6-5-9-20(15)4/h7-8,11-12,15,19H,5-6,9-10H2,1-4H3/t15-/m1/s1
Affinity DataKi:  0.25nMAssay Description:Binding affinity for human 5-hydroxytryptamine 1D receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50413081(CHEMBL523095)
Show SMILES O=C1COc2ccc(CCN3CCN(CC3)c3cccc4cccnc34)cc2N1
Show InChI InChI=1S/C23H24N4O2/c28-22-16-29-21-7-6-17(15-19(21)25-22)8-10-26-11-13-27(14-12-26)20-5-1-3-18-4-2-9-24-23(18)20/h1-7,9,15H,8,10-14,16H2,(H,25,28)
Affinity DataKi:  0.251nMAssay Description:Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50413554(CHEMBL469567)
Show SMILES CC(C)N1C(=O)COc2c(CCN3CCN(CC3)c3cccc4nc(C)ccc34)cccc12
Show InChI InChI=1S/C27H32N4O2/c1-19(2)31-25-9-4-6-21(27(25)33-18-26(31)32)12-13-29-14-16-30(17-15-29)24-8-5-7-23-22(24)11-10-20(3)28-23/h4-11,19H,12-18H2,1-3H3
Affinity DataKi:  0.251nMAssay Description:Antagonist activity at human 5HT1D assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HTMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50413082(CHEMBL490211)
Show SMILES O=C1COc2ccc(CCN3CCN(CC3)c3nccc4ccccc34)cc2N1
Show InChI InChI=1S/C23H24N4O2/c28-22-16-29-21-6-5-17(15-20(21)25-22)8-10-26-11-13-27(14-12-26)23-19-4-2-1-3-18(19)7-9-24-23/h1-7,9,15H,8,10-14,16H2,(H,25,28)
Affinity DataKi:  0.251nMAssay Description:Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50413074(CHEMBL496317)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cc3NC(=O)COc3cc2F)CC1
Show InChI InChI=1S/C24H25FN4O2/c1-16-5-6-18-20(26-16)3-2-4-22(18)29-11-9-28(10-12-29)8-7-17-13-21-23(14-19(17)25)31-15-24(30)27-21/h2-6,13-14H,7-12,15H2,1H3,(H,27,30)
Affinity DataKi:  0.251nMAssay Description:Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50475186(CHEMBL190298)
Show SMILES Cc1ccc2c(OCCN3CCN(Cc4cccc5[nH]cnc45)CC3)cccc2n1
Show InChI InChI=1S/C24H27N5O/c1-18-8-9-20-21(27-18)5-3-7-23(20)30-15-14-28-10-12-29(13-11-28)16-19-4-2-6-22-24(19)26-17-25-22/h2-9,17H,10-16H2,1H3,(H,25,26)
Affinity DataKi:  0.251nMAssay Description:Displacement of [3H]5-HT from human 5-hydroxytryptamine 1D receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50412126(CHEMBL525362)
Show SMILES CCNC(=O)Nc1cccc(CC2CCN(CCOc3cccc4nc(C)ccc34)CC2)c1
Show InChI InChI=1S/C27H34N4O2/c1-3-28-27(32)30-23-7-4-6-22(19-23)18-21-12-14-31(15-13-21)16-17-33-26-9-5-8-25-24(26)11-10-20(2)29-25/h4-11,19,21H,3,12-18H2,1-2H3,(H2,28,30,32)
Affinity DataKi:  0.251nMAssay Description:Displacement of [3H]5HT from human recombinant 5HT1D receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50369048(CHEMBL1203216)
Show SMILES CN(C)S(=O)(=O)Nc1ccc(cc1)N1CCN(CC1)C(=O)COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C24H32N6O4S/c1-28(2)35(32,33)27-19-3-5-20(6-4-19)29-11-13-30(14-12-29)24(31)17-34-21-7-8-23-22(15-21)18(9-10-25)16-26-23/h3-8,15-16,26-27H,9-14,17,25H2,1-2H3
Affinity DataKi:  0.260nMAssay Description:Binding affinity to recombinant human 5-hydroxytryptamine 1D receptor alphaMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50054980(2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-(1'-{2-[3...)
Show SMILES NCCc1c[nH]c2ccc(OCC(=O)N3CCC(CC3)C3CCN(CC3)C(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
Show InChI InChI=1S/C34H44N6O4/c35-11-5-25-19-37-31-3-1-27(17-29(25)31)43-21-33(41)39-13-7-23(8-14-39)24-9-15-40(16-10-24)34(42)22-44-28-2-4-32-30(18-28)26(6-12-36)20-38-32/h1-4,17-20,23-24,37-38H,5-16,21-22,35-36H2
Affinity DataKi:  0.270nMAssay Description:Ability to inhibit the forskolin-stimulated c-AMP formation mediated by human 5-hydroxytryptamine 1D receptor in CHO-K1 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50090517(5-Isopropyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)...)
Show SMILES CC(C)c1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
Show InChI InChI=1S/C17H24N2/c1-12(2)13-6-7-17-16(10-13)14(11-18-17)9-15-5-4-8-19(15)3/h6-7,10-12,15,18H,4-5,8-9H2,1-3H3/t15-/m1/s1
Affinity DataKi:  0.290nMAssay Description:Binding affinity for human 5-hydroxytryptamine 1D receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50033440(2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-[4-(2-nit...)
Show SMILES NCCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c3ccccc3[N+]([O-])=O)cc12
Show InChI InChI=1S/C22H25N5O4/c23-8-7-16-14-24-19-6-5-17(13-18(16)19)31-15-22(28)26-11-9-25(10-12-26)20-3-1-2-4-21(20)27(29)30/h1-6,13-14,24H,7-12,15,23H2
Affinity DataKi:  0.300nMAssay Description:Binding affinity for cloned human 5-hydroxytryptamine 1D receptor betaMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50271019(4-fluoro-N-(3-{1-[7-(4-{5-[(4-fluorobenzene)amido]...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCCCN4CCC(CC4)c4c[nH]c5ccc(NC(=O)c6ccc(F)cc6)cc45)CC3)c2c1
Show InChI InChI=1S/C47H52F2N6O2/c48-36-10-6-34(7-11-36)46(56)52-38-14-16-44-40(28-38)42(30-50-44)32-18-24-54(25-19-32)22-4-2-1-3-5-23-55-26-20-33(21-27-55)43-31-51-45-17-15-39(29-41(43)45)53-47(57)35-8-12-37(49)13-9-35/h6-17,28-33,50-51H,1-5,18-27H2,(H,52,56)(H,53,57)
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation countingMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50151705((4-tert-Butyl-2,6-dimethyl-phenyl)-(4,5-dihydro-1H...)
Show SMILES Cc1cc(cc(C)c1N=C1NCCN1)C(C)(C)C
Show InChI InChI=1S/C15H23N3/c1-10-8-12(15(3,4)5)9-11(2)13(10)18-14-16-6-7-17-14/h8-9H,6-7H2,1-5H3,(H2,16,17,18)
Affinity DataKi:  0.300nMAssay Description:Binding affinity towards human 5-hydroxytryptamine 1D receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50054973(2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-N-(3-{2-[3-...)
Show SMILES NCCc1c[nH]c2ccc(OCC(=O)NCCCNC(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12
Show InChI InChI=1S/C27H34N6O4/c28-8-6-18-14-32-24-4-2-20(12-22(18)24)36-16-26(34)30-10-1-11-31-27(35)17-37-21-3-5-25-23(13-21)19(7-9-29)15-33-25/h2-5,12-15,32-33H,1,6-11,16-17,28-29H2,(H,30,34)(H,31,35)
Affinity DataKi:  0.300nMAssay Description:Ability to inhibit the forskolin-stimulated c-AMP formation mediated by human 5-hydroxytryptamine 1D receptor in CHO-K1 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50054764((E)-3-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-...)
Show SMILES COc1ccc(CNC(=O)\C=C\c2ccc3[nH]cc(CCN(C)C)c3c2)cc1
Show InChI InChI=1S/C23H27N3O2/c1-26(2)13-12-19-16-24-22-10-6-17(14-21(19)22)7-11-23(27)25-15-18-4-8-20(28-3)9-5-18/h4-11,14,16,24H,12-13,15H2,1-3H3,(H,25,27)/b11-7+
Affinity DataKi:  0.300nMAssay Description:Compound was tested for binding affinity against cloned human 5-hydroxytryptamine 1D receptor alpha expressed in CHO-K1 cells.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50133454(4-[3-((R)-1-Methyl-pyrrolidin-2-ylmethyl)-1H-indol...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(cc12)C1=CCN(CC1)C(=O)Nc1ccc(C)cc1
Show InChI InChI=1S/C27H32N4O/c1-19-5-8-23(9-6-19)29-27(32)31-14-11-20(12-15-31)21-7-10-26-25(17-21)22(18-28-26)16-24-4-3-13-30(24)2/h5-11,17-18,24,28H,3-4,12-16H2,1-2H3,(H,29,32)/t24-/m1/s1
Affinity DataKi:  0.310nMAssay Description:Binding affinity towards cloned human 5-hydroxytryptamine 1D receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50033443(6-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-[4-(4-ami...)
Show SMILES NCCc1c[nH]c2ccc(OCCCCCC(=O)N3CCN(CC3)c3ccc(N)cc3)cc12
Show InChI InChI=1S/C26H35N5O2/c27-12-11-20-19-29-25-10-9-23(18-24(20)25)33-17-3-1-2-4-26(32)31-15-13-30(14-16-31)22-7-5-21(28)6-8-22/h5-10,18-19,29H,1-4,11-17,27-28H2
Affinity DataKi:  0.310nMAssay Description:Binding affinity for cloned human 5-hydroxytryptamine 1D receptor betaMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50413068(CHEMBL497979)
Show SMILES Cc1ccc2c(ccc(F)c2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H25FN4O2/c1-16-2-4-18-21(6-5-19(25)24(18)26-16)29-12-10-28(11-13-29)9-8-17-3-7-22-20(14-17)27-23(30)15-31-22/h2-7,14H,8-13,15H2,1H3,(H,27,30)
Affinity DataKi:  0.316nMAssay Description:Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cellsMore data for this Ligand-Target Pair
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