Compile Data Set for Download or QSAR
Found 442 Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1E'
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM10755(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
Affinity DataKi:  2.30nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM10755(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
Affinity DataKi:  3.5nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM10755(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
Affinity DataKi:  4nMAssay Description:Binding affinity was determined against 5-hydroxytryptamine 1E receptor in human cortical homogenateMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM10755(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
Affinity DataKi:  6.16nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50091438((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...)
Show SMILES Oc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1
Show InChI InChI=1S/C27H31Cl2N3O2/c28-24-7-4-19(16-25(24)29)5-9-27(34)30-12-2-1-3-13-32-14-10-20(11-15-32)23-18-31-26-8-6-21(33)17-22(23)26/h4-9,16-18,20,31,33H,1-3,10-15H2,(H,30,34)/b9-5+
Affinity DataKi:  6.30nMAssay Description:Binding affinity for 5-hydroxytryptamine 1E receptor was determinedMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(RAT)
The Scripps Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM10755(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM10755(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
Affinity DataKi:  7.24nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50456726(CHEMBL4218231)
Show SMILES C[C@H]1SC(=N[C@@H]1CO)c1ccccc1O
Show InChI InChI=1S/C11H13NO2S/c1-7-9(6-13)12-11(15-7)8-4-2-3-5-10(8)14/h2-5,7,9,13-14H,6H2,1H3/t7-,9-/m1/s1
Affinity DataKi: >10nMAssay Description:Displacement of [3H]5-HT from human 5-HT1E receptor expressed in HEK cells after 90 mins by microbeta scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50456743(CHEMBL4217810)
Show SMILES C[C@H]1SC(=N[C@H]1CO)c1ccccc1O
Show InChI InChI=1S/C11H13NO2S/c1-7-9(6-13)12-11(15-7)8-4-2-3-5-10(8)14/h2-5,7,9,13-14H,6H2,1H3/t7-,9+/m1/s1
Affinity DataKi: >10nMAssay Description:Displacement of [3H]5-HT from human 5-HT1E receptor expressed in HEK cells after 90 mins by microbeta scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50456745(CHEMBL4207302)
Show SMILES C[C@@H]1SC(=N[C@H]1CO)c1ccccc1O
Show InChI InChI=1S/C11H13NO2S/c1-7-9(6-13)12-11(15-7)8-4-2-3-5-10(8)14/h2-5,7,9,13-14H,6H2,1H3/t7-,9-/m0/s1
Affinity DataKi: >10nMAssay Description:Displacement of [3H]5-HT from human 5-HT1E receptor expressed in HEK cells after 90 mins by microbeta scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM10755(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
Affinity DataKi:  11.0nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM84994(CAS_163091 | NSC_163091 | ORG-5222)
Show SMILES CN1CC2C(C1)c1cc(Cl)ccc1Oc1ccccc21
Show InChI InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3
Affinity DataKi:  11nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM10755(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
Affinity DataKi:  11nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50016479((7-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]qui...)
Show SMILES CN1C[C@H](CO)C=C2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3/t10-,15-/m1/s1
Affinity DataKi:  42.6nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50016479((7-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]qui...)
Show SMILES CN1C[C@H](CO)C=C2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3/t10-,15-/m1/s1
Affinity DataKi:  43nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50031942((6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-i...)
Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34
Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1
Affinity DataKi:  59nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM81446(CAS_60-79-7 | ERGONOVINE | NSC_104873)
Show SMILES CC(CO)NC(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)
Affinity DataKi:  87.1nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM81446(CAS_60-79-7 | ERGONOVINE | NSC_104873)
Show SMILES CC(CO)NC(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)
Affinity DataKi:  88nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50330860(CHEMBL1201356 | METHYLERGONOVINE | Methylergometri...)
Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/t13-,14+,18-/m1/s1
Affinity DataKi:  89nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50330860(CHEMBL1201356 | METHYLERGONOVINE | Methylergometri...)
Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/t13-,14+,18-/m1/s1
Affinity DataKi:  89.1nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM21342((4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[...)
Show SMILES CCN(CC)C(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1
Affinity DataKi:  93nMAssay Description:Binding affinity towards 5-hydroxytryptamine 1E receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50449038(CHEMBL3126204 | US9212144, 15 (Ex. 17))
Show SMILES Nc1ccc2ccc(CCNCCc3cccc(Cl)c3)cc2n1
Show InChI InChI=1S/C19H20ClN3/c20-17-3-1-2-14(12-17)8-10-22-11-9-15-4-5-16-6-7-19(21)23-18(16)13-15/h1-7,12-13,22H,8-11H2,(H2,21,23)
Affinity DataKi: <100nMAssay Description:Displacement of [3H]5-HT from human 5-HT1E receptor expressed in HEK cells after 90 mins by scintillation counting methodMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM78940(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
Affinity DataKi:  120nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM81781(5-HT,a-Me | 5-HT,omega-N-Me)
Show SMILES Cn1cc(CCN)c2cc(O)ccc12
Show InChI InChI=1S/C11H14N2O/c1-13-7-8(4-5-12)10-6-9(14)2-3-11(10)13/h2-3,6-7,14H,4-5,12H2,1H3
Affinity DataKi:  120nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM81781(5-HT,a-Me | 5-HT,omega-N-Me)
Show SMILES Cn1cc(CCN)c2cc(O)ccc12
Show InChI InChI=1S/C11H14N2O/c1-13-7-8(4-5-12)10-6-9(14)2-3-11(10)13/h2-3,6-7,14H,4-5,12H2,1H3
Affinity DataKi:  121nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50118577((2,4-Dimethyl-azetidin-1-yl)-(7-methyl-4,6,6a,7,8,...)
Show SMILES C[C@@H]1C[C@@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C21H25N3O/c1-12-7-13(2)24(12)21(25)15-8-17-16-5-4-6-18-20(16)14(10-22-18)9-19(17)23(3)11-15/h4-6,8,10,12-13,15,19,22H,7,9,11H2,1-3H3/t12-,13-,15-,19?/m1/s1
Affinity DataKi:  140nMAssay Description:Binding affinity towards 5-hydroxytryptamine 1E receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

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:  155nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50582603(CHEMBL5091373)
Show SMILES Cl.CNCCc1ccc(Cl)c(c1)-c1ccccc1OC
Show InChI InChI=1S/C16H18ClNO.ClH/c1-18-10-9-12-7-8-15(17)14(11-12)13-5-3-4-6-16(13)19-2;/h3-8,11,18H,9-10H2,1-2H3;1H
Affinity DataKi:  180nMAssay Description:Binding affinity to 5-HT1ER (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM78940(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
Affinity DataKi:  194nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM78940(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
Affinity DataKi:  195nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50118576((2,4-Dimethyl-azetidin-1-yl)-(7-methyl-4,6,6a,7,8,...)
Show SMILES C[C@H]1C[C@@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C21H25N3O/c1-12-7-13(2)24(12)21(25)15-8-17-16-5-4-6-18-20(16)14(10-22-18)9-19(17)23(3)11-15/h4-6,8,10,12-13,15,19,22H,7,9,11H2,1-3H3/t12-,13+,15-,19?/m1/s1
Affinity DataKi:  200nMAssay Description:Binding affinity towards 5-hydroxytryptamine 1E receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(RAT)
The Scripps Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM78940(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
Affinity DataKi:  200nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50007407(1-NP | 1-Naphthalen-1-yl-piperazine | 4-Naphthalen...)
Show SMILES C1CN(CCN1)c1cccc2ccccc12
Show InChI InChI=1S/C14H16N2/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16/h1-7,15H,8-11H2
Affinity DataKi:  209nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM78940(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
Affinity DataKi:  209nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50031942((6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-i...)
Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34
Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1
Affinity DataKi:  219nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50031942((6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-i...)
Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34
Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1
Affinity DataKi:  228nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50031942((6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-i...)
Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34
Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1
Affinity DataKi:  229nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50118579((2,4-Dimethyl-azetidin-1-yl)-(7-methyl-4,6,6a,7,8,...)
Show SMILES C[C@H]1C[C@H](C)N1C(=O)[C@H]1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C21H25N3O/c1-12-7-13(2)24(12)21(25)15-8-17-16-5-4-6-18-20(16)14(10-22-18)9-19(17)23(3)11-15/h4-6,8,10,12-13,15,19,22H,7,9,11H2,1-3H3/t12-,13-,15+,19?/m0/s1
Affinity DataKi:  280nMAssay Description:Binding affinity towards 5-hydroxytryptamine 1E receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(RAT)
The Scripps Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM50031942((6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-i...)
Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34
Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1
Affinity DataKi:  300nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM35255(2-Chlor-11-(2-dimethylaminoaethoxy)-dibenzo(b,f)-t...)
Show SMILES CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3
Affinity DataKi:  320nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50031942((6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-i...)
Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34
Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1
Affinity DataKi:  324nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50140054(CHEMBL3752900)
Show SMILES Clc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C16H19ClN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
Affinity DataKi:  355nMAssay Description:Binding affinity to 5-HT 1E (unknown origin) by competition binding assayMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50048803(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
Affinity DataKi:  360nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50140058(CHEMBL3752576)
Show SMILES C=CCN(CCc1c[nH]c2ccccc12)CC=C
Show InChI InChI=1S/C16H20N2/c1-3-10-18(11-4-2)12-9-14-13-17-16-8-6-5-7-15(14)16/h3-8,13,17H,1-2,9-12H2
Affinity DataKi:  380nMAssay Description:Binding affinity to 5-HT 1E (unknown origin) by competition binding assayMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50370517(CHEMBL4163428 | US10954217, Example 00227)
Show SMILES CN1CCN(CC1)c1ccc2CN(Cc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H25N3O2/c1-22-9-11-23(12-10-22)20-8-7-18-14-24(15-19(18)13-20)21(25)26-16-17-5-3-2-4-6-17/h2-8,13H,9-12,14-16H2,1H3
Affinity DataKi:  403nMAssay Description:Displacement of [3H]-5-HT from human 5-HT1E receptor expressed in stable HEK cells after 90 mins by microbeta scintillation counting methodMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM30712(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
Affinity DataKi:  417nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM30712(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
Affinity DataKi:  419nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50001786(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
Affinity DataKi:  430nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM22869(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3
Affinity DataKi:  430nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
Janssen Research Foundation

Curated by PDSP Ki Database
LigandPNGBDBM50140053(CHEMBL3754496)
Show SMILES Fc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C16H19FN2/c1-3-8-19(9-4-2)10-7-13-12-18-16-6-5-14(17)11-15(13)16/h3-6,11-12,18H,1-2,7-10H2
Affinity DataKi:  479nMAssay Description:Binding affinity to 5-HT 1E (unknown origin) by competition binding assayMore data for this Ligand-Target Pair
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