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Compile Data Set for Download or QSAR

Found 344 hits with Last Name = 'steen' and Initial = 'j'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM244119
PNG
(US9428492, 3 | US9428492, 3a | US9428492, 3b)
Show SMILES Cc1nc(C(O)C(F)(F)F)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C21H21F3N8O/c1-11-25-16(8-17(26-11)32-20(27-12(2)29-32)18(33)21(22,23)24)31-9-13(10-31)19-28-14-6-4-5-7-15(14)30(19)3/h4-8,13,18,33H,9-10H2,1-3H3
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 0.0600 -58.3n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...

US Patent US9428492 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TKM
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM244145
PNG
(US9428492, 15)
Show SMILES Cc1nc([C@H](O)c2ccccc2)n(n1)-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C |r|
Show InChI InChI=1S/C26H25N7O/c1-15-27-21(18-13-19(18)25-30-20-11-7-8-12-22(20)32(25)3)14-23(28-15)33-26(29-16(2)31-33)24(34)17-9-5-4-6-10-17/h4-12,14,18-19,24,34H,13H2,1-3H3/t18?,19-,24-/m1/s1
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 0.0900 -57.3n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...

US Patent US9428492 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TKM
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM244119
PNG
(US9428492, 3 | US9428492, 3a | US9428492, 3b)
Show SMILES Cc1nc(C(O)C(F)(F)F)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C21H21F3N8O/c1-11-25-16(8-17(26-11)32-20(27-12(2)29-32)18(33)21(22,23)24)31-9-13(10-31)19-28-14-6-4-5-7-15(14)30(19)3/h4-8,13,18,33H,9-10H2,1-3H3
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 0.110 -56.8n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...

US Patent US9428492 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TKM
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM244137
PNG
(US9428492, 10 | US9428492, 10a | US9428492, 10b)
Show SMILES CC(O)c1nc(C)nn1-c1cc(nc(n1)C1CC1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C23H26N8O/c1-13(32)22-24-14(2)28-31(22)20-10-19(26-21(27-20)15-8-9-15)30-11-16(12-30)23-25-17-6-4-5-7-18(17)29(23)3/h4-7,10,13,15-16,32H,8-9,11-12H2,1-3H3
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 0.130 -56.4n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...

US Patent US9428492 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TKM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50020178
PNG
(CHEMBL294633 | CHEMBL555633 | N-[2-(4-Benzofuran-7...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1cccc2ccoc12
Show InChI InChI=1S/C21H22FN3O2/c22-18-6-4-17(5-7-18)21(26)23-9-10-24-11-13-25(14-12-24)19-3-1-2-16-8-15-27-20(16)19/h1-8,15H,9-14H2,(H,23,26)
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 0.150n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...

J Med Chem 37: 2761-73 (1994)


BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM244127
PNG
(US9428492, 6 | US9428492, 6a | US9428492, 6b)
Show SMILES Cc1nc(C(O)C2CC2)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C23H26N8O/c1-13-24-19(10-20(25-13)31-23(26-14(2)28-31)21(32)15-8-9-15)30-11-16(12-30)22-27-17-6-4-5-7-18(17)29(22)3/h4-7,10,15-16,21,32H,8-9,11-12H2,1-3H3
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 0.170 -55.8n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...

US Patent US9428492 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TKM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50039829
PNG
(CHEMBL92242 | Cyclohexanecarboxylic acid [2-(4-ben...)
Show SMILES O=C(NCCN1CCN(CC1)c1cccc2ccoc12)C1CCCCC1
Show InChI InChI=1S/C21H29N3O2/c25-21(18-5-2-1-3-6-18)22-10-11-23-12-14-24(15-13-23)19-8-4-7-17-9-16-26-20(17)19/h4,7-9,16,18H,1-3,5-6,10-15H2,(H,22,25)
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 0.200n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...

J Med Chem 37: 2761-73 (1994)


BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM244137
PNG
(US9428492, 10 | US9428492, 10a | US9428492, 10b)
Show SMILES CC(O)c1nc(C)nn1-c1cc(nc(n1)C1CC1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C23H26N8O/c1-13(32)22-24-14(2)28-31(22)20-10-19(26-21(27-20)15-8-9-15)30-11-16(12-30)23-25-17-6-4-5-7-18(17)29(23)3/h4-7,10,13,15-16,32H,8-9,11-12H2,1-3H3
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 0.210 -55.2n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...

US Patent US9428492 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TKM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50403670
PNG
(CHEMBL311015)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2cccc3OCCOc23)C(=O)c2ccccc12
Show InChI InChI=1S/C24H27N3O4/c28-23-18-6-1-2-7-19(18)24(29)27(23)11-4-3-10-25-12-14-26(15-13-25)20-8-5-9-21-22(20)31-17-16-30-21/h1-2,5-9H,3-4,10-17H2
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 0.229n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat frontal cortex membranes

Bioorg Med Chem Lett 8: 2457-62 (1999)


BindingDB Entry DOI: 10.7270/Q2KS6SQ1
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM244117
PNG
(US9428492, 1 | US9428492, 2)
Show SMILES C[C@@H](O)c1nc(C)nn1-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C |r|
Show InChI InChI=1S/C21H24N8O/c1-12(30)20-24-14(3)26-29(20)19-9-18(22-13(2)23-19)28-10-15(11-28)21-25-16-7-5-6-8-17(16)27(21)4/h5-9,12,15,30H,10-11H2,1-4H3/t12-/m1/s1
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 0.230 -55.0n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...

US Patent US9428492 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TKM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50039822
PNG
(1-(2-Cyclohexyl-ethyl)-4-(2,3-dihydro-benzo[1,4]di...)
Show SMILES C(CN1CCN(CC1)c1cccc2OCCOc12)C1CCCCC1
Show InChI InChI=1S/C20H30N2O2/c1-2-5-17(6-3-1)9-10-21-11-13-22(14-12-21)18-7-4-8-19-20(18)24-16-15-23-19/h4,7-8,17H,1-3,5-6,9-16H2
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 0.25n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand [3H]-2-(di-N-propylamino)-8-hydroxytetralin from 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenate

J Med Chem 36: 2751-60 (1993)


BindingDB Entry DOI: 10.7270/Q2CZ367F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50039822
PNG
(1-(2-Cyclohexyl-ethyl)-4-(2,3-dihydro-benzo[1,4]di...)
Show SMILES C(CN1CCN(CC1)c1cccc2OCCOc12)C1CCCCC1
Show InChI InChI=1S/C20H30N2O2/c1-2-5-17(6-3-1)9-10-21-11-13-22(14-12-21)18-7-4-8-19-20(18)24-16-15-23-19/h4,7-8,17H,1-3,5-6,9-16H2
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 0.25n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...

J Med Chem 37: 2761-73 (1994)


BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50403668
PNG
(CHEMBL312339)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2cccc3OCCOc23)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C23H27N3O5S/c27-23-18-6-1-2-9-21(18)32(28,29)26(23)11-4-3-10-24-12-14-25(15-13-24)19-7-5-8-20-22(19)31-17-16-30-20/h1-2,5-9H,3-4,10-17H2
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 0.288n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat frontal cortex membranes

Bioorg Med Chem Lett 8: 2457-62 (1999)


BindingDB Entry DOI: 10.7270/Q2KS6SQ1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50039824
PNG
(CHEMBL81728 | N-{2-[4-(2,3-Dihydro-benzo[1,4]dioxi...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C21H24FN3O3/c22-17-6-4-16(5-7-17)21(26)23-8-9-24-10-12-25(13-11-24)18-2-1-3-19-20(18)28-15-14-27-19/h1-7H,8-15H2,(H,23,26)
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 0.295n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat frontal cortex membranes

Bioorg Med Chem Lett 8: 2457-62 (1999)


BindingDB Entry DOI: 10.7270/Q2KS6SQ1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50039824
PNG
(CHEMBL81728 | N-{2-[4-(2,3-Dihydro-benzo[1,4]dioxi...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C21H24FN3O3/c22-17-6-4-16(5-7-17)21(26)23-8-9-24-10-12-25(13-11-24)18-2-1-3-19-20(18)28-15-14-27-19/h1-7H,8-15H2,(H,23,26)
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 0.300n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...

J Med Chem 37: 2761-73 (1994)


BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50039818
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-(4-phenyl-...)
Show SMILES C(CCc1ccccc1)CN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C22H28N2O2/c1-2-7-19(8-3-1)9-4-5-12-23-13-15-24(16-14-23)20-10-6-11-21-22(20)26-18-17-25-21/h1-3,6-8,10-11H,4-5,9,12-18H2
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 0.320n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...

J Med Chem 37: 2761-73 (1994)


BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50039818
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-(4-phenyl-...)
Show SMILES C(CCc1ccccc1)CN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C22H28N2O2/c1-2-7-19(8-3-1)9-4-5-12-23-13-15-24(16-14-23)20-10-6-11-21-22(20)26-18-17-25-21/h1-3,6-8,10-11H,4-5,9,12-18H2
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 0.324n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat frontal cortex membranes

Bioorg Med Chem Lett 8: 2457-62 (1999)


BindingDB Entry DOI: 10.7270/Q2KS6SQ1
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM244142
PNG
(US9428492, 12)
Show SMILES Cc1nc(C(O)CF)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C21H23FN8O/c1-12-23-18(8-19(24-12)30-21(17(31)9-22)25-13(2)27-30)29-10-14(11-29)20-26-15-6-4-5-7-16(15)28(20)3/h4-8,14,17,31H,9-11H2,1-3H3
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 0.340 -54.0n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...

US Patent US9428492 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TKM
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM244124
PNG
(US9428492, 5 | US9428492, 5a | US9428492, 5b)
Show SMILES CC(C)C(O)c1nc(C)nn1-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C23H28N8O/c1-13(2)21(32)23-26-15(4)28-31(23)20-10-19(24-14(3)25-20)30-11-16(12-30)22-27-17-8-6-7-9-18(17)29(22)5/h6-10,13,16,21,32H,11-12H2,1-5H3
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 0.340 -54.0n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...

US Patent US9428492 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TKM
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM244148
PNG
(US9428492, 18)
Show SMILES C[C@H](O)c1nc(C)nn1-c1cc(nc(n1)C1CC1)C1C[C@H]1c1nc2ccccc2n1C |r|
Show InChI InChI=1S/C23H25N7O/c1-12(31)22-24-13(2)28-30(22)20-11-18(25-21(27-20)14-8-9-14)15-10-16(15)23-26-17-6-4-5-7-19(17)29(23)3/h4-7,11-12,14-16,31H,8-10H2,1-3H3/t12-,15?,16+/m0/s1
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 0.360 -53.9n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...

US Patent US9428492 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TKM
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM244127
PNG
(US9428492, 6 | US9428492, 6a | US9428492, 6b)
Show SMILES Cc1nc(C(O)C2CC2)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C23H26N8O/c1-13-24-19(10-20(25-13)31-23(26-14(2)28-31)21(32)15-8-9-15)30-11-16(12-30)22-27-17-6-4-5-7-18(17)29(22)3/h4-7,10,15-16,21,32H,8-9,11-12H2,1-3H3
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US Patent
 0.360 -53.9n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...

US Patent US9428492 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TKM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50039798
PNG
(1-Benzofuran-7-yl-4-phenethyl-piperazine; hydrochl...)
Show SMILES C(Cc1ccccc1)N1CCN(CC1)c1cccc2ccoc12
Show InChI InChI=1S/C20H22N2O/c1-2-5-17(6-3-1)9-11-21-12-14-22(15-13-21)19-8-4-7-18-10-16-23-20(18)19/h1-8,10,16H,9,11-15H2
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 0.370n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...

J Med Chem 37: 2761-73 (1994)


BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM244137
PNG
(US9428492, 10 | US9428492, 10a | US9428492, 10b)
Show SMILES CC(O)c1nc(C)nn1-c1cc(nc(n1)C1CC1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C23H26N8O/c1-13(32)22-24-14(2)28-31(22)20-10-19(26-21(27-20)15-8-9-15)30-11-16(12-30)23-25-17-6-4-5-7-18(17)29(23)3/h4-7,10,13,15-16,32H,8-9,11-12H2,1-3H3
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US Patent
 0.390 -53.7n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...

US Patent US9428492 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TKM
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM244121
PNG
(US9428492, 4 | US9428492, 4a | US9428492, 4b)
Show SMILES CCC(O)c1nc(C)nn1-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C22H26N8O/c1-5-18(31)22-25-14(3)27-30(22)20-10-19(23-13(2)24-20)29-11-15(12-29)21-26-16-8-6-7-9-17(16)28(21)4/h6-10,15,18,31H,5,11-12H2,1-4H3
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US Patent
 0.410 -53.6n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...

US Patent US9428492 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TKM
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM244124
PNG
(US9428492, 5 | US9428492, 5a | US9428492, 5b)
Show SMILES CC(C)C(O)c1nc(C)nn1-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C23H28N8O/c1-13(2)21(32)23-26-15(4)28-31(23)20-10-19(24-14(3)25-20)30-11-16(12-30)22-27-17-8-6-7-9-18(17)29(22)5/h6-10,13,16,21,32H,11-12H2,1-5H3
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US Patent
 0.410 -53.6n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...

US Patent US9428492 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TKM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50039821
PNG
(CHEMBL93421 | Cyclohexanecarboxylic acid {2-[4-(2,...)
Show SMILES O=C(NCCN1CCN(CC1)c1cccc2OCCOc12)C1CCCCC1
Show InChI InChI=1S/C21H31N3O3/c25-21(17-5-2-1-3-6-17)22-9-10-23-11-13-24(14-12-23)18-7-4-8-19-20(18)27-16-15-26-19/h4,7-8,17H,1-3,5-6,9-16H2,(H,22,25)
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 0.440n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...

J Med Chem 37: 2761-73 (1994)


BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50039810
PNG
(1-Benzofuran-7-yl-4-(2-phenoxy-ethyl)-piperazine; ...)
Show SMILES C(CN1CCN(CC1)c1cccc2ccoc12)Oc1ccccc1
Show InChI InChI=1S/C20H22N2O2/c1-2-6-18(7-3-1)23-16-14-21-10-12-22(13-11-21)19-8-4-5-17-9-15-24-20(17)19/h1-9,15H,10-14,16H2
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 0.460n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...

J Med Chem 37: 2761-73 (1994)


BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50039800
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-phenethyl-...)
Show SMILES C(Cc1ccccc1)N1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C20H24N2O2/c1-2-5-17(6-3-1)9-10-21-11-13-22(14-12-21)18-7-4-8-19-20(18)24-16-15-23-19/h1-8H,9-16H2
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 0.470n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...

J Med Chem 37: 2761-73 (1994)


BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM244154
PNG
(US9428492, 21)
Show SMILES CC(C)C(O)c1nc(C)nn1-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C |r|
Show InChI InChI=1S/C23H27N7O/c1-12(2)21(31)23-26-14(4)28-30(23)20-11-18(24-13(3)25-20)15-10-16(15)22-27-17-8-6-7-9-19(17)29(22)5/h6-9,11-12,15-16,21,31H,10H2,1-5H3/t15?,16-,21?/m1/s1
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US Patent
 0.470 -53.2n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...

US Patent US9428492 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TKM
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM244157
PNG
(US9428492, C)
Show SMILES COCc1nc(C)nn1-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C |r|
Show InChI InChI=1S/C21H23N7O/c1-12-22-17(10-19(23-12)28-20(11-29-4)24-13(2)26-28)14-9-15(14)21-25-16-7-5-6-8-18(16)27(21)3/h5-8,10,14-15H,9,11H2,1-4H3/t14?,15-/m1/s1
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US Patent
 0.490 -53.1n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...

US Patent US9428492 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TKM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50039819
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-hexyl-pipe...)
Show SMILES CCCCCCN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C18H28N2O2/c1-2-3-4-5-9-19-10-12-20(13-11-19)16-7-6-8-17-18(16)22-15-14-21-17/h6-8H,2-5,9-15H2,1H3
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 0.5n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand [3H]-2-(di-N-propylamino)-8-hydroxytetralin from 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenate

J Med Chem 36: 2751-60 (1993)


BindingDB Entry DOI: 10.7270/Q2CZ367F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50039819
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-hexyl-pipe...)
Show SMILES CCCCCCN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C18H28N2O2/c1-2-3-4-5-9-19-10-12-20(13-11-19)16-7-6-8-17-18(16)22-15-14-21-17/h6-8H,2-5,9-15H2,1H3
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 0.5n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...

J Med Chem 37: 2761-73 (1994)


BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		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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 0.501n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Compound was tested for inhibition constant against 5-hydroxytryptamine 1A receptor in rat frontal cortex membranes.

Bioorg Med Chem Lett 8: 2457-62 (1999)


BindingDB Entry DOI: 10.7270/Q2KS6SQ1
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM244121
PNG
(US9428492, 4 | US9428492, 4a | US9428492, 4b)
Show SMILES CCC(O)c1nc(C)nn1-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C22H26N8O/c1-5-18(31)22-25-14(3)27-30(22)20-10-19(23-13(2)24-20)29-11-15(12-29)21-26-16-8-6-7-9-17(16)28(21)4/h6-10,15,18,31H,5,11-12H2,1-4H3
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US Patent
 0.510 -53.0n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...

US Patent US9428492 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TKM
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM244133
PNG
(US9428492, 8 | US9428492, 8a | US9428492, 8b)
Show SMILES CC(O)c1nc(C)nn1-c1cc(nc(n1)C(F)(F)F)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C21H21F3N8O/c1-11(33)18-25-12(2)29-32(18)17-8-16(27-20(28-17)21(22,23)24)31-9-13(10-31)19-26-14-6-4-5-7-15(14)30(19)3/h4-8,11,13,33H,9-10H2,1-3H3
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US Patent
 0.530 -52.9n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...

US Patent US9428492 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TKM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50039805
PNG
(1-Benzofuran-7-yl-4-hexyl-piperazine | CHEMBL27558)
Show SMILES CCCCCCN1CCN(CC1)c1cccc2ccoc12
Show InChI InChI=1S/C18H26N2O/c1-2-3-4-5-10-19-11-13-20(14-12-19)17-8-6-7-16-9-15-21-18(16)17/h6-9,15H,2-5,10-14H2,1H3
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 0.540n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand [3H]-2-(di-N-propylamino)-8-hydroxytetralin from 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenate

J Med Chem 36: 2751-60 (1993)


BindingDB Entry DOI: 10.7270/Q2CZ367F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50039805
PNG
(1-Benzofuran-7-yl-4-hexyl-piperazine | CHEMBL27558)
Show SMILES CCCCCCN1CCN(CC1)c1cccc2ccoc12
Show InChI InChI=1S/C18H26N2O/c1-2-3-4-5-10-19-11-13-20(14-12-19)17-8-6-7-16-9-15-21-18(16)17/h6-9,15H,2-5,10-14H2,1H3
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 0.540n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...

J Med Chem 37: 2761-73 (1994)


BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM244149
PNG
(US9428492, 19 | US9428492, 19a)
Show SMILES CCC(O)c1nc(C)nn1-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C |r|
Show InChI InChI=1S/C22H25N7O/c1-5-19(30)22-25-13(3)27-29(22)20-11-17(23-12(2)24-20)14-10-15(14)21-26-16-8-6-7-9-18(16)28(21)4/h6-9,11,14-15,19,30H,5,10H2,1-4H3/t14?,15-,19?/m1/s1
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 0.550 -52.9n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...

US Patent US9428492 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TKM
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM244151
PNG
(US9428492, 20 | US9428492, 20a | US9428492, 20b)
Show SMILES Cc1nc(C(O)C(F)(F)F)n(n1)-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C |r|
Show InChI InChI=1S/C21H20F3N7O/c1-10-25-15(12-8-13(12)19-28-14-6-4-5-7-16(14)30(19)3)9-17(26-10)31-20(27-11(2)29-31)18(32)21(22,23)24/h4-7,9,12-13,18,32H,8H2,1-3H3/t12?,13-,18?/m1/s1
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 0.550 -52.9n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...

US Patent US9428492 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TKM
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM244151
PNG
(US9428492, 20 | US9428492, 20a | US9428492, 20b)
Show SMILES Cc1nc(C(O)C(F)(F)F)n(n1)-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C |r|
Show InChI InChI=1S/C21H20F3N7O/c1-10-25-15(12-8-13(12)19-28-14-6-4-5-7-16(14)30(19)3)9-17(26-10)31-20(27-11(2)29-31)18(32)21(22,23)24/h4-7,9,12-13,18,32H,8H2,1-3H3/t12?,13-,18?/m1/s1
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 0.580 -52.7n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...

US Patent US9428492 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TKM
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM244159
PNG
(US9428492, 19b)
Show SMILES CCC(O)c1nc(C)nn1-c1cc(nc(C)n1)[C@@H]1C[C@H]1c1nc2ccccc2n1C |r|
Show InChI InChI=1S/C22H25N7O/c1-5-19(30)22-25-13(3)27-29(22)20-11-17(23-12(2)24-20)14-10-15(14)21-26-16-8-6-7-9-18(16)28(21)4/h6-9,11,14-15,19,30H,5,10H2,1-4H3/t14-,15-,19?/m1/s1
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US Patent
 0.590 -52.7n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...

US Patent US9428492 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TKM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50039796
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-octyl-pipe...)
Show SMILES CCCCCCCCN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C20H32N2O2/c1-2-3-4-5-6-7-11-21-12-14-22(15-13-21)18-9-8-10-19-20(18)24-17-16-23-19/h8-10H,2-7,11-17H2,1H3
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 0.610n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of radioligand [3H]-2-(di-N-propylamino)-8-hydroxytetralin from 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenate

J Med Chem 36: 2751-60 (1993)


BindingDB Entry DOI: 10.7270/Q2CZ367F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50039796
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-octyl-pipe...)
Show SMILES CCCCCCCCN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C20H32N2O2/c1-2-3-4-5-6-7-11-21-12-14-22(15-13-21)18-9-8-10-19-20(18)24-17-16-23-19/h8-10H,2-7,11-17H2,1H3
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 0.610n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...

J Med Chem 37: 2761-73 (1994)


BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM244146
PNG
(US9428492, 16)
Show SMILES Cc1nc([C@@H](O)c2ccccc2)n(n1)-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C |r|
Show InChI InChI=1S/C26H25N7O/c1-15-27-21(18-13-19(18)25-30-20-11-7-8-12-22(20)32(25)3)14-23(28-15)33-26(29-16(2)31-33)24(34)17-9-5-4-6-10-17/h4-12,14,18-19,24,34H,13H2,1-3H3/t18?,19-,24+/m1/s1
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 0.620 -52.6n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...

US Patent US9428492 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TKM
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM244140
PNG
(US9428492, 11a | US9428492, 11b)
Show SMILES Cc1nc(C(O)C(F)F)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C21H22F2N8O/c1-11-24-16(8-17(25-11)31-21(18(32)19(22)23)26-12(2)28-31)30-9-13(10-30)20-27-14-6-4-5-7-15(14)29(20)3/h4-8,13,18-19,32H,9-10H2,1-3H3
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 0.650 -52.4n/an/an/an/an/a7.225



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, S...

US Patent US9428492 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TKM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50039814
PNG
(4-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin...)
Show SMILES O=C(CCCN1CCN(CC1)c1cccc2OCCOc12)c1ccccc1
Show InChI InChI=1S/C22H26N2O3/c25-20(18-6-2-1-3-7-18)9-5-11-23-12-14-24(15-13-23)19-8-4-10-21-22(19)27-17-16-26-21/h1-4,6-8,10H,5,9,11-17H2
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 0.670n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...

J Med Chem 37: 2761-73 (1994)


BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50039814
PNG
(4-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazin...)
Show SMILES O=C(CCCN1CCN(CC1)c1cccc2OCCOc12)c1ccccc1
Show InChI InChI=1S/C22H26N2O3/c25-20(18-6-2-1-3-7-18)9-5-11-23-12-14-24(15-13-23)19-8-4-10-21-22(19)27-17-16-26-21/h1-4,6-8,10H,5,9,11-17H2
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 0.676n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat frontal cortex membranes

Bioorg Med Chem Lett 8: 2457-62 (1999)


BindingDB Entry DOI: 10.7270/Q2KS6SQ1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM85079
PNG
(2-[4-[4-[(7-Chloro-2,3-dihydro-1,4-benzodioxin)-5-...)
Show SMILES Clc1cc2OCCOc2c(c1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Show InChI InChI=1S/C23H26ClN3O5S/c24-17-15-19(22-20(16-17)31-13-14-32-22)26-11-9-25(10-12-26)7-3-4-8-27-23(28)18-5-1-2-6-21(18)33(27,29)30/h1-2,5-6,15-16H,3-4,7-14H2
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 0.708n/an/an/an/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat frontal cortex membranes

Bioorg Med Chem Lett 8: 2457-62 (1999)


BindingDB Entry DOI: 10.7270/Q2KS6SQ1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50470650
PNG
(CHEMBL335401)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C23H31N3O4/c27-20-16-23(6-1-2-7-23)17-21(28)26(20)13-10-24-8-11-25(12-9-24)18-4-3-5-19-22(18)30-15-14-29-19/h3-5H,1-2,6-17H2
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 0.708n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]2-(di-N-propylamino)-8-hydroxytetralin binding to 5-HT1A receptor of rat frontal cortex homogenates

J Med Chem 38: 4303-8 (1995)


Article DOI: 10.1021/jm00021a020
BindingDB Entry DOI: 10.7270/Q25B056C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50039807
PNG
(1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-4-(2-phenoxy...)
Show SMILES C(CN1CCN(CC1)c1cccc2OCCOc12)Oc1ccccc1
Show InChI InChI=1S/C20H24N2O3/c1-2-5-17(6-3-1)23-14-13-21-9-11-22(12-10-21)18-7-4-8-19-20(18)25-16-15-24-19/h1-8H,9-16H2
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 0.730n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-hydroxytryptamine 1A (5-HT1A) receptor in rat frontal cortex homogena...

J Med Chem 37: 2761-73 (1994)


BindingDB Entry DOI: 10.7270/Q2DJ5G84
More data for this
Ligand-Target Pair
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