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Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with all data for entry = 50030123   
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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50034342
PNG
((3aR,9bS) 3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benz...)
Show SMILES CCCN1CC[C@@H]2[C@H]1CCc1cccc(O)c21
Show InChI InChI=1S/C15H21NO/c1-2-9-16-10-8-12-13(16)7-6-11-4-3-5-14(17)15(11)12/h3-5,12-13,17H,2,6-10H2,1H3/t12-,13-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50291354
PNG
(2-[3-((S)-5-Methoxy-1,3,4,4a,9,9a-hexahydro-indeno...)
Show SMILES COc1cccc2C[C@@H]3CN(CCCN4C(=O)c5ccccc5S4(=O)=O)CCC3c12
Show InChI InChI=1S/C23H26N2O4S/c1-29-20-8-4-6-16-14-17-15-24(13-10-18(17)22(16)20)11-5-12-25-23(26)19-7-2-3-9-21(19)30(25,27)28/h2-4,6-9,17-18H,5,10-15H2,1H3/t17-,18?/m1/s1
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0.890n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50029257
PNG
((3-((4-(2-isopropoxyphenyl)piperazin-1-yl)methyl)p...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1
Show InChI InChI=1S/C26H35N3O2/c1-21(2)31-25-12-5-4-11-24(25)28-17-15-27(16-18-28)20-22-9-8-10-23(19-22)26(30)29-13-6-3-7-14-29/h4-5,8-12,19,21H,3,6-7,13-18,20H2,1-2H3
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1.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured in vivo for its binding affinity at Alpha-1 adrenergic receptor using [3H]prazosin as radioligand.


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50064552
PNG
((2,3-Dihydro-indol-1-yl)-{3-[4-(2-isopropoxy-pheny...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCc3ccccc23)CC1
Show InChI InChI=1S/C29H33N3O2/c1-22(2)34-28-13-6-5-12-27(28)31-18-16-30(17-19-31)21-23-8-7-10-25(20-23)29(33)32-15-14-24-9-3-4-11-26(24)32/h3-13,20,22H,14-19,21H2,1-2H3
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1.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured in vivo for its binding affinity at Alpha-1 adrenergic receptor using [3H]prazosin as radioligand.


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50029257
PNG
((3-((4-(2-isopropoxyphenyl)piperazin-1-yl)methyl)p...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1
Show InChI InChI=1S/C26H35N3O2/c1-21(2)31-25-12-5-4-11-24(25)28-17-15-27(16-18-28)20-22-9-8-10-23(19-22)26(30)29-13-6-3-7-14-29/h4-5,8-12,19,21H,3,6-7,13-18,20H2,1-2H3
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1.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured in vivo for its binding affinity at 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50029257
PNG
((3-((4-(2-isopropoxyphenyl)piperazin-1-yl)methyl)p...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1
Show InChI InChI=1S/C26H35N3O2/c1-21(2)31-25-12-5-4-11-24(25)28-17-15-27(16-18-28)20-22-9-8-10-23(19-22)26(30)29-13-6-3-7-14-29/h4-5,8-12,19,21H,3,6-7,13-18,20H2,1-2H3
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1.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured in vivo for its binding affinity at Dopamine receptor D3 using [3H]-YM-09151-2 as radioligand.


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50036470
PNG
((3aR,9bS)-3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benz...)
Show SMILES CCCN1CC[C@@H]2[C@H]1CCc1cccc(C(N)=O)c21
Show InChI InChI=1S/C16H22N2O/c1-2-9-18-10-8-12-14(18)7-6-11-4-3-5-13(15(11)12)16(17)19/h3-5,12,14H,2,6-10H2,1H3,(H2,17,19)/t12-,14-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50029257
PNG
((3-((4-(2-isopropoxyphenyl)piperazin-1-yl)methyl)p...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1
Show InChI InChI=1S/C26H35N3O2/c1-21(2)31-25-12-5-4-11-24(25)28-17-15-27(16-18-28)20-22-9-8-10-23(19-22)26(30)29-13-6-3-7-14-29/h4-5,8-12,19,21H,3,6-7,13-18,20H2,1-2H3
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2.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured in vivo for its binding affinity at Dopamine receptor D2 using [3H]-spiperone as radioligand.


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50291352
PNG
((2,3-Dihydro-indol-1-yl)-[3-(1,3,4,9-tetrahydro-be...)
Show SMILES O=C(N1CCc2ccccc12)c1cccc(CN2CCc3c(C2)[nH]c2ccccc32)c1
Show InChI InChI=1S/C27H25N3O/c31-27(30-15-12-20-7-1-4-11-26(20)30)21-8-5-6-19(16-21)17-29-14-13-23-22-9-2-3-10-24(22)28-25(23)18-29/h1-11,16,28H,12-15,17-18H2
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2.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured in vivo for its binding affinity at Alpha-1 adrenergic receptor using [3H]prazosin as radioligand.


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50064552
PNG
((2,3-Dihydro-indol-1-yl)-{3-[4-(2-isopropoxy-pheny...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCc3ccccc23)CC1
Show InChI InChI=1S/C29H33N3O2/c1-22(2)34-28-13-6-5-12-27(28)31-18-16-30(17-19-31)21-23-8-7-10-25(20-23)29(33)32-15-14-24-9-3-4-11-26(24)32/h3-13,20,22H,14-19,21H2,1-2H3
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3.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured in vivo for its binding affinity at 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50291348
PNG
((4aR,10bR)-4-Propyl-1,2,3,4,4a,5,6,10b-octahydro-b...)
Show SMILES CCCN1CCC[C@H]2[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C16H23NO/c1-2-9-17-10-3-4-14-15-11-13(18)7-5-12(15)6-8-16(14)17/h5,7,11,14,16,18H,2-4,6,8-10H2,1H3/t14-,16-/m1/s1
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3.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50291351
PNG
((2,3-Dihydro-indol-1-yl)-[3-(3,4,10,10a-tetrahydro...)
Show SMILES O=C(N1CCc2ccccc12)c1cccc(CN2CCN3C(COc4ccccc34)C2)c1
Show InChI InChI=1/C27H27N3O2/c31-27(30-13-12-21-7-1-2-9-24(21)30)22-8-5-6-20(16-22)17-28-14-15-29-23(18-28)19-32-26-11-4-3-10-25(26)29/h1-11,16,23H,12-15,17-19H2
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6.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured in vivo for its binding affinity at 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50291352
PNG
((2,3-Dihydro-indol-1-yl)-[3-(1,3,4,9-tetrahydro-be...)
Show SMILES O=C(N1CCc2ccccc12)c1cccc(CN2CCc3c(C2)[nH]c2ccccc32)c1
Show InChI InChI=1S/C27H25N3O/c31-27(30-15-12-20-7-1-4-11-26(20)30)21-8-5-6-19(16-21)17-29-14-13-23-22-9-2-3-10-24(22)28-25(23)18-29/h1-11,16,28H,12-15,17-18H2
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9.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured in vivo for its binding affinity at 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50291347
PNG
(CHEMBL164330 | Piperidin-1-yl-[3-(3,4,10,10a-tetra...)
Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCN3C(COc4ccccc34)C2)c1
Show InChI InChI=1/C24H29N3O2/c28-24(26-11-4-1-5-12-26)20-8-6-7-19(15-20)16-25-13-14-27-21(17-25)18-29-23-10-3-2-9-22(23)27/h2-3,6-10,15,21H,1,4-5,11-14,16-18H2
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured in vivo for its binding affinity at 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50291350
PNG
(CHEMBL423632 | Piperidin-1-yl-[3-(1,3,4,9-tetrahyd...)
Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCc3c(C2)[nH]c2ccccc32)c1
Show InChI InChI=1S/C24H27N3O/c28-24(27-12-4-1-5-13-27)19-8-6-7-18(15-19)16-26-14-11-21-20-9-2-3-10-22(20)25-23(21)17-26/h2-3,6-10,15,25H,1,4-5,11-14,16-17H2
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13n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured in vivo for its binding affinity at 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50291350
PNG
(CHEMBL423632 | Piperidin-1-yl-[3-(1,3,4,9-tetrahyd...)
Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCc3c(C2)[nH]c2ccccc32)c1
Show InChI InChI=1S/C24H27N3O/c28-24(27-12-4-1-5-13-27)19-8-6-7-18(15-19)16-26-14-11-21-20-9-2-3-10-22(20)25-23(21)17-26/h2-3,6-10,15,25H,1,4-5,11-14,16-17H2
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36n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured in vivo for its binding affinity at Alpha-1 adrenergic receptor using [3H]prazosin as radioligand.


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair
5-HT5B


(RAT)
BDBM50026385
PNG
(9-Trifluoromethyl-2,3,4,4a,5,6-hexahydro-1H-pyrazi...)
Show SMILES FC(F)(F)c1ccc2CCC3CNCCN3c2c1
Show InChI InChI=1/C13H15F3N2/c14-13(15,16)10-3-1-9-2-4-11-8-17-5-6-18(11)12(9)7-10/h1,3,7,11,17H,2,4-6,8H2
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67n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against serotonin receptor


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50291353
PNG
(2-[4-(3,4-Dihydro-1H-pyrazino[1,2-a]indol-2-yl)-bu...)
Show SMILES O=C1N(CCCCN2CCn3c(C2)cc2ccccc32)C(=O)c2ccccc12
Show InChI InChI=1S/C23H23N3O2/c27-22-19-8-2-3-9-20(19)23(28)26(22)12-6-5-11-24-13-14-25-18(16-24)15-17-7-1-4-10-21(17)25/h1-4,7-10,15H,5-6,11-14,16H2
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74n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50291349
PNG
(2-Hexyl-2,3,4,9-tetrahydro-1H-beta-carboline | CHE...)
Show SMILES CCCCCCN1CCc2c(C1)[nH]c1ccccc21
Show InChI InChI=1S/C17H24N2/c1-2-3-4-7-11-19-12-10-15-14-8-5-6-9-16(14)18-17(15)13-19/h5-6,8-9,18H,2-4,7,10-13H2,1H3
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79n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50291347
PNG
(CHEMBL164330 | Piperidin-1-yl-[3-(3,4,10,10a-tetra...)
Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCN3C(COc4ccccc34)C2)c1
Show InChI InChI=1/C24H29N3O2/c28-24(26-11-4-1-5-12-26)20-8-6-7-19(15-20)16-25-13-14-27-21(17-25)18-29-23-10-3-2-9-22(23)27/h2-3,6-10,15,21H,1,4-5,11-14,16-18H2
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Article
200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured in vivo for its binding affinity at Alpha-1 adrenergic receptor using [3H]prazosin as radioligand.


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50291350
PNG
(CHEMBL423632 | Piperidin-1-yl-[3-(1,3,4,9-tetrahyd...)
Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCc3c(C2)[nH]c2ccccc32)c1
Show InChI InChI=1S/C24H27N3O/c28-24(27-12-4-1-5-13-27)19-8-6-7-18(15-19)16-26-14-11-21-20-9-2-3-10-22(20)25-23(21)17-26/h2-3,6-10,15,25H,1,4-5,11-14,16-17H2
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374n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured in vivo for its binding affinity at Dopamine receptor D2 using [3H]-spiperone as radioligand.


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50064552
PNG
((2,3-Dihydro-indol-1-yl)-{3-[4-(2-isopropoxy-pheny...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCc3ccccc23)CC1
Show InChI InChI=1S/C29H33N3O2/c1-22(2)34-28-13-6-5-12-27(28)31-18-16-30(17-19-31)21-23-8-7-10-25(20-23)29(33)32-15-14-24-9-3-4-11-26(24)32/h3-13,20,22H,14-19,21H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured in vivo for its binding affinity at Dopamine receptor D2 using [3H]-spiperone as radioligand.


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50291352
PNG
((2,3-Dihydro-indol-1-yl)-[3-(1,3,4,9-tetrahydro-be...)
Show SMILES O=C(N1CCc2ccccc12)c1cccc(CN2CCc3c(C2)[nH]c2ccccc32)c1
Show InChI InChI=1S/C27H25N3O/c31-27(30-15-12-20-7-1-4-11-26(20)30)21-8-5-6-19(16-21)17-29-14-13-23-22-9-2-3-10-24(22)28-25(23)18-29/h1-11,16,28H,12-15,17-18H2
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>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured in vivo for its binding affinity at Dopamine receptor D2 using [3H]-spiperone as radioligand.


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50291351
PNG
((2,3-Dihydro-indol-1-yl)-[3-(3,4,10,10a-tetrahydro...)
Show SMILES O=C(N1CCc2ccccc12)c1cccc(CN2CCN3C(COc4ccccc34)C2)c1
Show InChI InChI=1/C27H27N3O2/c31-27(30-13-12-21-7-1-2-9-24(21)30)22-8-5-6-20(16-22)17-28-14-15-29-23(18-28)19-32-26-11-4-3-10-25(26)29/h1-11,16,23H,12-15,17-19H2
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>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured in vivo for its binding affinity at Alpha-1 adrenergic receptor using [3H]prazosin as radioligand.


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50291351
PNG
((2,3-Dihydro-indol-1-yl)-[3-(3,4,10,10a-tetrahydro...)
Show SMILES O=C(N1CCc2ccccc12)c1cccc(CN2CCN3C(COc4ccccc34)C2)c1
Show InChI InChI=1/C27H27N3O2/c31-27(30-13-12-21-7-1-2-9-24(21)30)22-8-5-6-20(16-22)17-28-14-15-29-23(18-28)19-32-26-11-4-3-10-25(26)29/h1-11,16,23H,12-15,17-19H2
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>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured in vivo for its binding affinity at Dopamine receptor D2 using [3H]-spiperone as radioligand.


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50291347
PNG
(CHEMBL164330 | Piperidin-1-yl-[3-(3,4,10,10a-tetra...)
Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCN3C(COc4ccccc34)C2)c1
Show InChI InChI=1/C24H29N3O2/c28-24(26-11-4-1-5-12-26)20-8-6-7-19(15-20)16-25-13-14-27-21(17-25)18-29-23-10-3-2-9-22(23)27/h2-3,6-10,15,21H,1,4-5,11-14,16-18H2
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Article
>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured in vivo for its binding affinity at Dopamine receptor D2 using [3H]-spiperone as radioligand.


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair