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Compile Data Set for Download or QSAR

Found 663 hits of Enz. Inhib. data with enzyme = '5-hydroxytryptamine receptor 1A (5-HT1A)' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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0.0600n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317


BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM264121
PNG
(3-(3-(4-(4-(4-oxofuro[3,2-c]pyridin-5 (4H)-yl)phen...)
Show SMILES O=c1n(ccc2occc12)-c1ccc(cc1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C29H27N5O2/c30-19-21-3-8-27-26(18-21)22(20-31-27)2-1-11-32-13-15-33(16-14-32)23-4-6-24(7-5-23)34-12-9-28-25(29(34)35)10-17-36-28/h3-10,12,17-18,20,31H,1-2,11,13-16H2
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0.100n/an/an/an/an/an/a7.4n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Human HEK-293 cell homogenates (36 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]8-0H-DPAT (Perkin-Elmer) in the absence o...


US Patent US9714232 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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0.100n/an/an/an/an/an/an/an/a



INSERM U.288

Curated by PDSP Ki Database




Neuropsychopharmacology 3: 349-60


BindingDB Entry DOI: 10.7270/Q2N29VFS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50002173
PNG
(3-(4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl)-...)
Show SMILES Oc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1
Show InChI InChI=1S/C23H26N2O/c26-21-9-10-23-22(16-21)20(17-24-23)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2
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0.110n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 303: 791-804 (2002)


Article DOI: 10.1124/jpet.102.039867
BindingDB Entry DOI: 10.7270/Q2MG7N2F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM264120
PNG
(3-(4-(4-(4-(4-oxofuro[3,2-c]pyridin-5 (4H)-yl)phen...)
Show SMILES O=c1n(ccc2occc12)-c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C30H29N5O2/c31-20-22-4-9-28-27(19-22)23(21-32-28)3-1-2-12-33-14-16-34(17-15-33)24-5-7-25(8-6-24)35-13-10-29-26(30(35)36)11-18-37-29/h4-11,13,18-19,21,32H,1-3,12,14-17H2
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0.140n/an/an/an/an/an/a7.4n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Human HEK-293 cell homogenates (36 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]8-0H-DPAT (Perkin-Elmer) in the absence o...


US Patent US9714232 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM22867
PNG
(1,1-diethyl-3-[(8beta)-6-methyl-9,10-didehydroergo...)
Show SMILES CCN(CC)C(=O)N[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18-/m1/s1
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0.150n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 303: 791-804 (2002)


Article DOI: 10.1124/jpet.102.039867
BindingDB Entry DOI: 10.7270/Q2MG7N2F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM264112
PNG
(3-(4-(4-(4-(3,5-difluoro-2-oxopyridin-1(2H)-yl)phe...)
Show SMILES Fc1cc(F)c(=O)n(c1)-c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C28H27F2N5O/c29-22-16-26(30)28(36)35(19-22)24-7-5-23(6-8-24)34-13-11-33(12-14-34)10-2-1-3-21-18-32-27-9-4-20(17-31)15-25(21)27/h4-9,15-16,18-19,32H,1-3,10-14H2
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0.180n/an/an/an/an/an/a7.4n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Human HEK-293 cell homogenates (36 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]8-0H-DPAT (Perkin-Elmer) in the absence o...


US Patent US9714232 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM301953
PNG
(3-(3-(4-(4,6-Dimethoxypyrimidin-2-yl)piperazin-1-y...)
Show SMILES COc1ccc2[nH]cc(CCCN3CCN(CC3)c3nc(OC)cc(OC)n3)c2c1
Show InChI InChI=1S/C22H29N5O3/c1-28-17-6-7-19-18(13-17)16(15-23-19)5-4-8-26-9-11-27(12-10-26)22-24-20(29-2)14-21(25-22)30-3/h6-7,13-15,23H,4-5,8-12H2,1-3H3
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0.190n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Human HEK-293 cell homogenates (36 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]8-OH-DPAT (Perkin-Elmer) in the absence o...


US Patent US9598401 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM264097
PNG
(1-(4-(4-(4-(5-fluoro-1H-indol-3-yl)butyl)piperazin...)
Show SMILES Fc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(cc3)-n3ccccc3=O)c2c1
Show InChI InChI=1S/C27H29FN4O/c28-22-7-12-26-25(19-22)21(20-29-26)5-1-3-13-30-15-17-31(18-16-30)23-8-10-24(11-9-23)32-14-4-2-6-27(32)33/h2,4,6-12,14,19-20,29H,1,3,5,13,15-18H2
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0.190n/an/an/an/an/an/a7.4n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Human HEK-293 cell homogenates (36 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]8-0H-DPAT (Perkin-Elmer) in the absence o...


US Patent US9714232 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM301980
PNG
(3-(3-(4-(4-(Trifluoromethyl)pyrimidin-2-yl)piperaz...)
Show SMILES FC(F)(F)c1ccnc(n1)N1CCN(CCCc2c[nH]c3ccc(cc23)[N+]#[C-])CC1
Show InChI InChI=1S/C21H21F3N6/c1-25-16-4-5-18-17(13-16)15(14-27-18)3-2-8-29-9-11-30(12-10-29)20-26-7-6-19(28-20)21(22,23)24/h4-7,13-14,27H,2-3,8-12H2
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0.200n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Human HEK-293 cell homogenates (36 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]8-OH-DPAT (Perkin-Elmer) in the absence o...


US Patent US9598401 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM21392
PNG
(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)
Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
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0.200n/an/an/an/an/an/an/an/a



INSERM U.288

Curated by PDSP Ki Database




Neuropsychopharmacology 3: 349-60


BindingDB Entry DOI: 10.7270/Q2N29VFS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM263392
PNG
(US9550741, II-2)
Show SMILES O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc[nH]c1
Show InChI InChI=1S/C23H31N5O2S2/c29-32(30,20-9-11-24-17-20)26-19-7-5-18(6-8-19)10-12-27-13-15-28(16-14-27)23-21-3-1-2-4-22(21)31-25-23/h1-4,9,11,17-19,24,26H,5-8,10,12-16H2/t18-,19-
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0.200n/an/an/an/an/an/a7.4n/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
1. Experimental Materials:The isotopic ligand of 5-H1A receptor [3H]0.8-OH-DPAT (purchased from PE Corporation), (+)5-hydroxytryptamine (purchased fr...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50207158
PNG
(CHEMBL3982486 | US9550741, III-2)
Show SMILES CCOC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C22H32N4O2S/c1-2-28-22(27)23-18-9-7-17(8-10-18)11-12-25-13-15-26(16-14-25)21-19-5-3-4-6-20(19)29-24-21/h3-6,17-18H,2,7-16H2,1H3,(H,23,27)/t17-,18-
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0.200n/an/an/an/an/an/a7.4n/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
1. Experimental Materials:The isotopic ligand of 5-H1A receptor [3H]0.8-OH-DPAT (purchased from PE Corporation), (+)5-hydroxytryptamine (purchased fr...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
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0.200n/an/an/an/an/an/an/an/a



INSERM U.288

Curated by PDSP Ki Database




Neuropsychopharmacology 3: 349-60


BindingDB Entry DOI: 10.7270/Q2N29VFS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM81789
PNG
(5-CT,DP | CAS_156314 | DP-5-CT | NN-DIPROP-5-CT | ...)
Show SMILES CCCN(CCC)CCc1c[nH]c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C17H25N3O/c1-3-8-20(9-4-2)10-7-14-12-19-16-6-5-13(17(18)21)11-15(14)16/h5-6,11-12,19H,3-4,7-10H2,1-2H3,(H2,18,21)
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0.200n/an/an/an/an/an/an/an/a



INSERM U.288

Curated by PDSP Ki Database




Neuropsychopharmacology 3: 349-60


BindingDB Entry DOI: 10.7270/Q2N29VFS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM264096
PNG
(3-(4-(4-(4-(2-oxopyridin-1(2H)-yl)phenyl)piperazin...)
Show SMILES O=c1ccccn1-c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C28H29N5O/c29-20-22-7-12-27-26(19-22)23(21-30-27)5-1-3-13-31-15-17-32(18-16-31)24-8-10-25(11-9-24)33-14-4-2-6-28(33)34/h2,4,6-12,14,19,21,30H,1,3,5,13,15-18H2
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0.230n/an/an/an/an/an/a7.4n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Human HEK-293 cell homogenates (36 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]8-0H-DPAT (Perkin-Elmer) in the absence o...


US Patent US9714232 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50005127
PNG
(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2
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0.230n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317


BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM10755
PNG
(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
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0.260n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317


BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM301982
PNG
(Ethyl 2-(4-(3-(5-fluoro-1H-indol-3-yl)propyl)piper...)
Show SMILES CCOC(=O)c1sc(nc1C)N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
Show InChI InChI=1S/C22H27FN4O2S/c1-3-29-21(28)20-15(2)25-22(30-20)27-11-9-26(10-12-27)8-4-5-16-14-24-19-7-6-17(23)13-18(16)19/h6-7,13-14,24H,3-5,8-12H2,1-2H3
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0.270n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Human HEK-293 cell homogenates (36 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]8-OH-DPAT (Perkin-Elmer) in the absence o...


US Patent US9598401 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM301963
PNG
(3-(3-(4-(4,6-Dimethylpyrimidin-2-yl)piperazin-1-yl...)
Show SMILES COc1ccc2[nH]cc(CCCN3CCN(CC3)c3nc(C)cc(C)n3)c2c1
Show InChI InChI=1S/C22H29N5O/c1-16-13-17(2)25-22(24-16)27-11-9-26(10-12-27)8-4-5-18-15-23-21-7-6-19(28-3)14-20(18)21/h6-7,13-15,23H,4-5,8-12H2,1-3H3
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0.290n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Human HEK-293 cell homogenates (36 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]8-OH-DPAT (Perkin-Elmer) in the absence o...


US Patent US9598401 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM301984
PNG
(Ethyl 2-(4-(3-(5-cyano-1H-indol-3-yl)propyl)pipera...)
Show SMILES CCOC(=O)c1sc(nc1C)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C23H27N5O2S/c1-3-30-22(29)21-16(2)26-23(31-21)28-11-9-27(10-12-28)8-4-5-18-15-25-20-7-6-17(14-24)13-19(18)20/h6-7,13,15,25H,3-5,8-12H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Human HEK-293 cell homogenates (36 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]8-OH-DPAT (Perkin-Elmer) in the absence o...


US Patent US9598401 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM264113
PNG
(3-(3-(4-(4-(3,5-difluoro-2-oxopyridin-1(2H)-yl)phe...)
Show SMILES Fc1cc(F)c(=O)n(c1)-c1ccc(cc1)N1CCN(CCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C27H25F2N5O/c28-21-15-25(29)27(35)34(18-21)23-6-4-22(5-7-23)33-12-10-32(11-13-33)9-1-2-20-17-31-26-8-3-19(16-30)14-24(20)26/h3-8,14-15,17-18,31H,1-2,9-13H2
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0.310n/an/an/an/an/an/a7.4n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Human HEK-293 cell homogenates (36 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]8-0H-DPAT (Perkin-Elmer) in the absence o...


US Patent US9714232 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50035508
PNG
(4-Iodo-N-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)c2ccc(I)cc2)c2ccccn2)CC1
Show InChI InChI=1S/C25H27IN4O2/c1-32-23-7-3-2-6-22(23)29-17-14-28(15-18-29)16-19-30(24-8-4-5-13-27-24)25(31)20-9-11-21(26)12-10-20/h2-13H,14-19H2,1H3
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0.320n/an/an/an/an/an/an/an/a



INSERM U.288

Curated by PDSP Ki Database




Neuropsychopharmacology 3: 349-60


BindingDB Entry DOI: 10.7270/Q2N29VFS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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0.330n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM21392
PNG
(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)
Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
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0.340n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317


BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50033112
PNG
(6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyla...)
Show SMILES COc1ccccc1N1CCN(CCCNc2c(C)c(=O)n(C)c(=O)n2C)CC1
Show InChI InChI=1S/C21H31N5O3/c1-16-19(23(2)21(28)24(3)20(16)27)22-10-7-11-25-12-14-26(15-13-25)17-8-5-6-9-18(17)29-4/h5-6,8-9,22H,7,10-15H2,1-4H3
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0.350n/an/an/an/an/an/an/an/a



INSERM U.288

Curated by PDSP Ki Database




Neuropsychopharmacology 3: 349-60


BindingDB Entry DOI: 10.7270/Q2N29VFS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM22867
PNG
(1,1-diethyl-3-[(8beta)-6-methyl-9,10-didehydroergo...)
Show SMILES CCN(CC)C(=O)N[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317


BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM22867
PNG
(1,1-diethyl-3-[(8beta)-6-methyl-9,10-didehydroergo...)
Show SMILES CCN(CC)C(=O)N[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18-/m1/s1
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0.410n/an/an/an/an/an/an/an/a



University of Canterbury

Curated by PDSP Ki Database




Biochem Pharmacol 45: 1003-9 (1993)


BindingDB Entry DOI: 10.7270/Q2JH3JPG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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0.470n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 280: 1241-9 (1997)


BindingDB Entry DOI: 10.7270/Q2CJ8C04
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM264104
PNG
(3-(4-(4-(4-(4-methyl-2-oxopyridin-1(2H)-yl)phenyl)...)
Show SMILES Cc1ccn(-c2ccc(cc2)N2CCN(CCCCc3c[nH]c4ccc(cc34)C#N)CC2)c(=O)c1
Show InChI InChI=1S/C29H31N5O/c1-22-11-13-34(29(35)18-22)26-8-6-25(7-9-26)33-16-14-32(15-17-33)12-3-2-4-24-21-31-28-10-5-23(20-30)19-27(24)28/h5-11,13,18-19,21,31H,2-4,12,14-17H2,1H3
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0.480n/an/an/an/an/an/a7.4n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Human HEK-293 cell homogenates (36 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]8-0H-DPAT (Perkin-Elmer) in the absence o...


US Patent US9714232 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM264118
PNG
(3-(4-(4-(4-(5-oxo-1,6-naphthyridin-6(5H)-yl)phenyl...)
Show SMILES O=c1n(ccc2ncccc12)-c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C31H30N6O/c32-21-23-6-11-29-28(20-23)24(22-34-29)4-1-2-14-35-16-18-36(19-17-35)25-7-9-26(10-8-25)37-15-12-30-27(31(37)38)5-3-13-33-30/h3,5-13,15,20,22,34H,1-2,4,14,16-19H2
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0.5n/an/an/an/an/an/a7.4n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Human HEK-293 cell homogenates (36 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]8-0H-DPAT (Perkin-Elmer) in the absence o...


US Patent US9714232 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM21392
PNG
(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)
Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
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0.520n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317


BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50207156
PNG
(CHEMBL3938210 | US9550741, I-3)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccc[nH]1
Show InChI InChI=1S/C24H31N5OS/c30-24(21-5-3-12-25-21)26-19-9-7-18(8-10-19)11-13-28-14-16-29(17-15-28)23-20-4-1-2-6-22(20)31-27-23/h1-6,12,18-19,25H,7-11,13-17H2,(H,26,30)/t18-,19-
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0.520n/an/an/an/an/an/a7.4n/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
1. Experimental Materials:The isotopic ligand of 5-H1A receptor [3H]0.8-OH-DPAT (purchased from PE Corporation), (+)5-hydroxytryptamine (purchased fr...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50207156
PNG
(CHEMBL3938210 | US9550741, I-3)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccc[nH]1
Show InChI InChI=1S/C24H31N5OS/c30-24(21-5-3-12-25-21)26-19-9-7-18(8-10-19)11-13-28-14-16-29(17-15-28)23-20-4-1-2-6-22(20)31-27-23/h1-6,12,18-19,25H,7-11,13-17H2,(H,26,30)/t18-,19-
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0.520n/an/an/an/an/an/a7.4n/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
1. Experimental Materials:The isotopic ligand of 5-H1A receptor [3H]0.8-OH-DPAT (purchased from PE Corporation), (+)5-hydroxytryptamine (purchased fr...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM263424
PNG
(US9550741, III-6)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)Oc1ccccc1
Show InChI InChI=1S/C26H32N4O2S/c31-26(32-22-6-2-1-3-7-22)27-21-12-10-20(11-13-21)14-15-29-16-18-30(19-17-29)25-23-8-4-5-9-24(23)33-28-25/h1-9,20-21H,10-19H2,(H,27,31)/t20-,21-
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0.580n/an/an/an/an/an/a7.4n/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
1. Experimental Materials:The isotopic ligand of 5-H1A receptor [3H]0.8-OH-DPAT (purchased from PE Corporation), (+)5-hydroxytryptamine (purchased fr...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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0.580n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 280: 1241-9 (1997)


BindingDB Entry DOI: 10.7270/Q2CJ8C04
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM263396
PNG
(US9550741, II-6)
Show SMILES O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C27H33N5O2S2/c33-36(34,26-19-28-24-7-3-1-5-22(24)26)30-21-11-9-20(10-12-21)13-14-31-15-17-32(18-16-31)27-23-6-2-4-8-25(23)35-29-27/h1-8,19-21,28,30H,9-18H2/t20-,21-
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US Patent
0.580n/an/an/an/an/an/a7.4n/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
1. Experimental Materials:The isotopic ligand of 5-H1A receptor [3H]0.8-OH-DPAT (purchased from PE Corporation), (+)5-hydroxytryptamine (purchased fr...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50044418
PNG
(4-Fluoro-N-{2-[4-(2-hydroxymethyl-2,3-dihydro-benz...)
Show SMILES OCC1COc2c(O1)cccc2N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H26FN3O4/c23-17-6-4-16(5-7-17)22(28)24-8-9-25-10-12-26(13-11-25)19-2-1-3-20-21(19)29-15-18(14-27)30-20/h1-7,18,27H,8-15H2,(H,24,28)
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0.600n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317


BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM264109
PNG
(3-(3-(4-(4-(4-methoxy-2-oxopyridin-1(2H)-yl)phenyl...)
Show SMILES COc1ccn(-c2ccc(cc2)N2CCN(CCCc3c[nH]c4ccc(cc34)C#N)CC2)c(=O)c1
Show InChI InChI=1S/C28H29N5O2/c1-35-25-10-12-33(28(34)18-25)24-7-5-23(6-8-24)32-15-13-31(14-16-32)11-2-3-22-20-30-27-9-4-21(19-29)17-26(22)27/h4-10,12,17-18,20,30H,2-3,11,13-16H2,1H3
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0.610n/an/an/an/an/an/a7.4n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Human HEK-293 cell homogenates (36 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]8-0H-DPAT (Perkin-Elmer) in the absence o...


US Patent US9714232 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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0.640n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 280: 1241-9 (1997)


BindingDB Entry DOI: 10.7270/Q2CJ8C04
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM301967
PNG
(3-(4-(4-(4-Methoxy-6-methylpyrimidin-2-yl)piperazi...)
Show SMILES COc1cc(C)nc(n1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C23H28N6O/c1-17-13-22(30-2)27-23(26-17)29-11-9-28(10-12-29)8-4-3-5-19-16-25-21-7-6-18(15-24)14-20(19)21/h6-7,13-14,16,25H,3-5,8-12H2,1-2H3
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0.650n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Human HEK-293 cell homogenates (36 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]8-OH-DPAT (Perkin-Elmer) in the absence o...


US Patent US9598401 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM82367
PNG
(CAS_141533-35-9 | SDZ 216,525 | SDZ 216-525)
Show SMILES COC(=O)c1cc2c(cccc2[nH]1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Show InChI InChI=1S/C25H28N4O5S/c1-34-25(31)21-17-19-20(26-21)8-6-9-22(19)28-15-13-27(14-16-28)11-4-5-12-29-24(30)18-7-2-3-10-23(18)35(29,32)33/h2-3,6-10,17,26H,4-5,11-16H2,1H3
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0.660n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317


BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM82367
PNG
(CAS_141533-35-9 | SDZ 216,525 | SDZ 216-525)
Show SMILES COC(=O)c1cc2c(cccc2[nH]1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Show InChI InChI=1S/C25H28N4O5S/c1-34-25(31)21-17-19-20(26-21)8-6-9-22(19)28-15-13-27(14-16-28)11-4-5-12-29-24(30)18-7-2-3-10-23(18)35(29,32)33/h2-3,6-10,17,26H,4-5,11-16H2,1H3
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0.700n/an/an/an/an/an/an/an/a



INSERM U.288

Curated by PDSP Ki Database




Neuropsychopharmacology 3: 349-60


BindingDB Entry DOI: 10.7270/Q2N29VFS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM301978
PNG
(3-(4-(4-(4-(Trifluoromethyl)pyrimidin-2-yl)piperaz...)
Show SMILES FC(F)(F)c1ccnc(n1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C22H23F3N6/c23-22(24,25)20-6-7-27-21(29-20)31-11-9-30(10-12-31)8-2-1-3-17-15-28-19-5-4-16(14-26)13-18(17)19/h4-7,13,15,28H,1-3,8-12H2
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US Patent
0.700n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Human HEK-293 cell homogenates (36 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]8-OH-DPAT (Perkin-Elmer) in the absence o...


US Patent US9598401 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM301964
PNG
(5-Chloro-3-(3-(4-(4,6-dimethylpyrimidin-2-yl)piper...)
Show SMILES Cc1cc(C)nc(n1)N1CCN(CCCc2c[nH]c3ccc(Cl)cc23)CC1
Show InChI InChI=1S/C21H26ClN5/c1-15-12-16(2)25-21(24-15)27-10-8-26(9-11-27)7-3-4-17-14-23-20-6-5-18(22)13-19(17)20/h5-6,12-14,23H,3-4,7-11H2,1-2H3
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0.710n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Human HEK-293 cell homogenates (36 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]8-OH-DPAT (Perkin-Elmer) in the absence o...


US Patent US9598401 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM301983
PNG
(Ethyl 2-(4-(4-(5-cyano-1H-indol-3-yl)butyl)piperaz...)
Show SMILES CCOC(=O)c1sc(nc1C)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C24H29N5O2S/c1-3-31-23(30)22-17(2)27-24(32-22)29-12-10-28(11-13-29)9-5-4-6-19-16-26-21-8-7-18(15-25)14-20(19)21/h7-8,14,16,26H,3-6,9-13H2,1-2H3
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0.790n/an/an/an/an/an/an/an/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Human HEK-293 cell homogenates (36 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]8-OH-DPAT (Perkin-Elmer) in the absence o...


US Patent US9598401 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM263401
PNG
(US9550741, II-11)
Show SMILES Clc1ccc2sc(cc2c1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
Show InChI InChI=1S/C27H31ClN4O2S3/c28-21-7-10-24-20(17-21)18-26(35-24)37(33,34)30-22-8-5-19(6-9-22)11-12-31-13-15-32(16-14-31)27-23-3-1-2-4-25(23)36-29-27/h1-4,7,10,17-19,22,30H,5-6,8-9,11-16H2/t19-,22-
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0.790n/an/an/an/an/an/a7.4n/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
1. Experimental Materials:The isotopic ligand of 5-H1A receptor [3H]0.8-OH-DPAT (purchased from PE Corporation), (+)5-hydroxytryptamine (purchased fr...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM263429
PNG
(US9550741, III-11)
Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)OCc1ccccc1
Show InChI InChI=1S/C27H34N4O2S/c32-27(33-20-22-6-2-1-3-7-22)28-23-12-10-21(11-13-23)14-15-30-16-18-31(19-17-30)26-24-8-4-5-9-25(24)34-29-26/h1-9,21,23H,10-20H2,(H,28,32)/t21-,23-
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0.790n/an/an/an/an/an/a7.4n/a



Shanghai Institute of Pharmaceutical Industry

US Patent


Assay Description
1. Experimental Materials:The isotopic ligand of 5-H1A receptor [3H]0.8-OH-DPAT (purchased from PE Corporation), (+)5-hydroxytryptamine (purchased fr...


US Patent US9550741 (2017)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM10755
PNG
(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
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PubMed
0.790n/an/an/an/an/an/an/an/a



University of Alberta

Curated by PDSP Ki Database




Neuropharmacology 33: 275-317


BindingDB Entry DOI: 10.7270/Q2M043X2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM264122
PNG
(3-(4-(4-(4-(2-oxopyrazin-1(2H)-yl)phenyl)piperazin...)
Show SMILES O=c1cnccn1-c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show InChI InChI=1S/C27H28N6O/c28-18-21-4-9-26-25(17-21)22(19-30-26)3-1-2-11-31-13-15-32(16-14-31)23-5-7-24(8-6-23)33-12-10-29-20-27(33)34/h4-10,12,17,19-20,30H,1-3,11,13-16H2
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0.800n/an/an/an/an/an/a7.4n/a



SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
Human HEK-293 cell homogenates (36 μg protein) were incubated at 22 C. for 60 minutes with 0.3 nM [3H]8-0H-DPAT (Perkin-Elmer) in the absence o...


US Patent US9714232 (2017)

More data for this
Ligand-Target Pair
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