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Compile Data Set for Download or QSAR

Found 45 hits with Last Name = 'mochizuki' and Initial = 'd'   
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


(Rattus norvegicus (rat))
BDBM50368723
PNG
(Metanopirone | Sediel | TANDOSPIRONE HYDROCHLORIDE...)
Show SMILES O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(CC1)c1ncccn1 |r|
Show InChI InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/t15-,16+,17+,18-
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0.00270n/an/an/an/an/an/an/an/a



Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity by measuring displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 36: 3526-32 (1994)


BindingDB Entry DOI: 10.7270/Q2D21Z74
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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Article
0.440n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1


Bioorg Med Chem Lett 7: 2303-2306 (1997)


Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50290098
PNG
((R)-3-Cyclohexylmethyl-1,8,8-trimethyl-3-aza-bicyc...)
Show SMILES CC1(C)C2CC[C@@]1(C)CN(CC1CCCCC1)C2 |THB:10:9:1:5.4|
Show InChI InChI=1S/C17H31N/c1-16(2)15-9-10-17(16,3)13-18(12-15)11-14-7-5-4-6-8-14/h14-15H,4-13H2,1-3H3/t15?,17-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1


Bioorg Med Chem Lett 7: 2303-2306 (1997)


Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50290099
PNG
((S)-3-(4-Cyclohexyl-butyl)-1,8,8-trimethyl-3-aza-b...)
Show SMILES CC1(C)C2CC[C@]1(C)CN(CCCCC1CCCCC1)C2 |THB:10:9:1:5.4|
Show InChI InChI=1S/C20H37N/c1-19(2)18-12-13-20(19,3)16-21(15-18)14-8-7-11-17-9-5-4-6-10-17/h17-18H,4-16H2,1-3H3/t18?,20-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1


Bioorg Med Chem Lett 7: 2303-2306 (1997)


Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50290100
PNG
((S)-3-Cyclohexylmethyl-1,8,8-trimethyl-3-aza-bicyc...)
Show SMILES CC1(C)C2CC[C@]1(C)CN(CC1CCCCC1)C2 |THB:10:9:1:5.4|
Show InChI InChI=1S/C17H31N/c1-16(2)15-9-10-17(16,3)13-18(12-15)11-14-7-5-4-6-8-14/h14-15H,4-13H2,1-3H3/t15?,17-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1


Bioorg Med Chem Lett 7: 2303-2306 (1997)


Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50290095
PNG
((R)-3-(2-Cyclohexyl-ethyl)-1,8,8-trimethyl-3-aza-b...)
Show SMILES CC1(C)C2CC[C@@]1(C)CN(CCC1CCCCC1)C2 |THB:10:9:1:5.4|
Show InChI InChI=1S/C18H33N/c1-17(2)16-9-11-18(17,3)14-19(13-16)12-10-15-7-5-4-6-8-15/h15-16H,4-14H2,1-3H3/t16?,18-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1


Bioorg Med Chem Lett 7: 2303-2306 (1997)


Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50290096
PNG
((S)-3-(2-Cyclopentyl-ethyl)-1,8,8-trimethyl-3-aza-...)
Show SMILES CC1(C)C2CC[C@]1(C)CN(CCC1CCCC1)C2 |THB:10:9:1:5.4|
Show InChI InChI=1S/C17H31N/c1-16(2)15-8-10-17(16,3)13-18(12-15)11-9-14-6-4-5-7-14/h14-15H,4-13H2,1-3H3/t15?,17-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1


Bioorg Med Chem Lett 7: 2303-2306 (1997)


Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50290094
PNG
((S)-3-(2-Cyclohexyl-ethyl)-1,8,8-trimethyl-3-aza-b...)
Show SMILES CC1(C)C2CC[C@]1(C)CN(CCC1CCCCC1)C2 |THB:10:9:1:5.4|
Show InChI InChI=1S/C18H33N/c1-17(2)16-9-11-18(17,3)14-19(13-16)12-10-15-7-5-4-6-8-15/h15-16H,4-14H2,1-3H3/t16?,18-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1


Bioorg Med Chem Lett 7: 2303-2306 (1997)


Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50290101
PNG
((S)-3-(3-Cyclohexyl-propyl)-1,8,8-trimethyl-3-aza-...)
Show SMILES CC1(C)C2CC[C@]1(C)CN(CCCC1CCCCC1)C2 |THB:10:9:1:5.4|
Show InChI InChI=1S/C19H35N/c1-18(2)17-11-12-19(18,3)15-20(14-17)13-7-10-16-8-5-4-6-9-16/h16-17H,4-15H2,1-3H3/t17?,19-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1


Bioorg Med Chem Lett 7: 2303-2306 (1997)


Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50290092
PNG
((S)-3-(2-Cycloheptyl-ethyl)-1,8,8-trimethyl-3-aza-...)
Show SMILES CC1(C)C2CC[C@]1(C)CN(CCC1CCCCCC1)C2 |THB:10:9:1:5.4|
Show InChI InChI=1S/C19H35N/c1-18(2)17-10-12-19(18,3)15-20(14-17)13-11-16-8-6-4-5-7-9-16/h16-17H,4-15H2,1-3H3/t17?,19-/m1/s1
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2.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1


Bioorg Med Chem Lett 7: 2303-2306 (1997)


Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50290093
PNG
((S)-3-(2-Cyclooctyl-ethyl)-1,8,8-trimethyl-3-aza-b...)
Show SMILES CC1(C)C2CC[C@]1(C)CN(CCC1CCCCCCC1)C2 |THB:10:9:1:5.4|
Show InChI InChI=1S/C20H37N/c1-19(2)18-11-13-20(19,3)16-21(15-18)14-12-17-9-7-5-4-6-8-10-17/h17-18H,4-16H2,1-3H3/t18?,20-/m1/s1
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2.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1


Bioorg Med Chem Lett 7: 2303-2306 (1997)


Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50290097
PNG
((S)-3-Cyclohexyl-1,8,8-trimethyl-3-aza-bicyclo[3.2...)
Show SMILES CC1(C)C2CC[C@]1(C)CN(C2)C1CCCCC1 |THB:11:9:1:5.4|
Show InChI InChI=1S/C16H29N/c1-15(2)13-9-10-16(15,3)12-17(11-13)14-7-5-4-6-8-14/h13-14H,4-12H2,1-3H3/t13?,16-/m1/s1
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3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1


Bioorg Med Chem Lett 7: 2303-2306 (1997)


Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50290091
PNG
((S)-3-(2-Adamantan-2-yl-ethyl)-1,8,8-trimethyl-3-a...)
Show SMILES CC1(C)C2CC[C@]1(C)CN(CCC1C3CC4CC(C3)CC1C4)C2 |wD:6.7,TLB:11:12:14:17.18.16,THB:16:15:12:17.18.19,16:17:12:15.14.21,10:9:1:5.4,11:12:15.14.21:17.18.19,19:20:14:17.18.16,19:17:14:20.12.21,(-7.25,2.8,;-5.75,2.79,;-6.14,4.25,;-4.39,2.21,;-4,.76,;-4.93,-.34,;-4.93,1.16,;-6.43,1.16,;-2.69,2.13,;-1.35,1.44,;-.27,.4,;1.17,.82,;2.25,-.23,;2.88,-1.98,;2.25,-3.46,;3.36,-4.49,;5,-4.47,;5.66,-2.93,;4.41,-2.03,;5.18,-1.24,;3.56,-1.24,;2.87,-2.78,;-2.32,3.17,)|
Show InChI InChI=1S/C22H37N/c1-21(2)19-4-6-22(21,3)14-23(13-19)7-5-20-17-9-15-8-16(11-17)12-18(20)10-15/h15-20H,4-14H2,1-3H3/t15?,16?,17?,18?,19?,20?,22-/m1/s1
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4.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1


Bioorg Med Chem Lett 7: 2303-2306 (1997)


Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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15n/an/an/an/an/an/an/an/a



Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity by measuring displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 36: 3526-32 (1994)


BindingDB Entry DOI: 10.7270/Q2D21Z74
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM81982
PNG
(CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...)
Show SMILES Cc1ccccc1NC(N)=Nc1ccccc1C |w:10.11|
Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
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27n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1


Bioorg Med Chem Lett 7: 2303-2306 (1997)


Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50368723
PNG
(Metanopirone | Sediel | TANDOSPIRONE HYDROCHLORIDE...)
Show SMILES O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(CC1)c1ncccn1 |r|
Show InChI InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/t15-,16+,17+,18-
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28n/an/an/an/an/an/an/an/a



Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for DA2 receptor


J Med Chem 36: 3526-32 (1994)


BindingDB Entry DOI: 10.7270/Q2D21Z74
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50368731
PNG
(CHEMBL1203185)
Show SMILES O=C(NCc1ccc2OCOc2c1)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
Show InChI InChI=1S/C20H18N2O3S/c23-20(22-9-12-5-6-16-17(7-12)25-11-24-16)15-8-14-13-3-1-2-4-18(13)26-19(14)10-21-15/h1-7,15,21H,8-11H2,(H,22,23)/t15-/m1/s1
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53n/an/an/an/an/an/an/an/a



Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor by use of [3H]8-OH-DPAT in male rat


J Med Chem 36: 3526-32 (1994)


BindingDB Entry DOI: 10.7270/Q2D21Z74
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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90n/an/an/an/an/an/an/an/a



Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for DA2 receptor


J Med Chem 36: 3526-32 (1994)


BindingDB Entry DOI: 10.7270/Q2D21Z74
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50001044
PNG
((1S,9S,13S)-10-allyl-1,13-dimethyl-10-azatricyclo[...)
Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C17H23NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h4-6,11-12,16,19H,1,7-10H2,2-3H3/t12-,16+,17-/m1/s1
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157n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1


Bioorg Med Chem Lett 7: 2303-2306 (1997)


Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50368724
PNG
(CHEMBL1203171)
Show SMILES O=C(NCC1CCCCC1)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
Show InChI InChI=1S/C19H24N2OS/c22-19(21-11-13-6-2-1-3-7-13)16-10-15-14-8-4-5-9-17(14)23-18(15)12-20-16/h4-5,8-9,13,16,20H,1-3,6-7,10-12H2,(H,21,22)/t16-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 36: 3526-32 (1994)


BindingDB Entry DOI: 10.7270/Q2D21Z74
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50368736
PNG
(CHEMBL1203188)
Show SMILES O=C(NC1CCCCCCC1)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
Show InChI InChI=1S/C20H26N2OS/c23-20(22-14-8-4-2-1-3-5-9-14)17-12-16-15-10-6-7-11-18(15)24-19(16)13-21-17/h6-7,10-11,14,17,21H,1-5,8-9,12-13H2,(H,22,23)/t17-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 36: 3526-32 (1994)


BindingDB Entry DOI: 10.7270/Q2D21Z74
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50368720
PNG
(CHEMBL1203158)
Show SMILES O=C(NC1CCCCC1)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
Show InChI InChI=1S/C18H22N2OS/c21-18(20-12-6-2-1-3-7-12)15-10-14-13-8-4-5-9-16(13)22-17(14)11-19-15/h4-5,8-9,12,15,19H,1-3,6-7,10-11H2,(H,20,21)/t15-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 36: 3526-32 (1994)


BindingDB Entry DOI: 10.7270/Q2D21Z74
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50368715
PNG
(CHEMBL1203194)
Show SMILES CC1CCCCC1NC(=O)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
Show InChI InChI=1S/C19H24N2OS/c1-12-6-2-4-8-15(12)21-19(22)16-10-14-13-7-3-5-9-17(13)23-18(14)11-20-16/h3,5,7,9,12,15-16,20H,2,4,6,8,10-11H2,1H3,(H,21,22)/t12?,15?,16-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 36: 3526-32 (1994)


BindingDB Entry DOI: 10.7270/Q2D21Z74
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50368728
PNG
(CHEMBL1203179)
Show SMILES O=C(NC1CCCCCC1)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
Show InChI InChI=1S/C19H24N2OS/c22-19(21-13-7-3-1-2-4-8-13)16-11-15-14-9-5-6-10-17(14)23-18(15)12-20-16/h5-6,9-10,13,16,20H,1-4,7-8,11-12H2,(H,21,22)/t16-/m1/s1
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Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 36: 3526-32 (1994)


BindingDB Entry DOI: 10.7270/Q2D21Z74
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50368716
PNG
(CHEMBL1203193)
Show SMILES CC1CCC(CC1)NC(=O)[C@H]1Cc2c(CN1)sc1ccccc21 |r,wU:10.10,(-11.92,3.89,;-10.82,3.25,;-10.82,1.66,;-9.44,.87,;-8.06,1.66,;-8.06,3.25,;-9.44,4.05,;-6.68,.87,;-5.31,1.67,;-5.31,2.94,;-3.92,.87,;-2.64,1.63,;-1.3,.87,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;,-1.4,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;3.96,.87,;2.62,1.63,;1.3,.87,)|
Show InChI InChI=1S/C19H24N2OS/c1-12-6-8-13(9-7-12)21-19(22)16-10-15-14-4-2-3-5-17(14)23-18(15)11-20-16/h2-5,12-13,16,20H,6-11H2,1H3,(H,21,22)/t12?,13?,16-/m1/s1
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Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 36: 3526-32 (1994)


BindingDB Entry DOI: 10.7270/Q2D21Z74
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50368717
PNG
(CHEMBL1203173)
Show SMILES O=C(OC1CCCCC1)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
Show InChI InChI=1S/C18H21NO2S/c20-18(21-12-6-2-1-3-7-12)15-10-14-13-8-4-5-9-16(13)22-17(14)11-19-15/h4-5,8-9,12,15,19H,1-3,6-7,10-11H2/t15-/m1/s1
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Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 36: 3526-32 (1994)


BindingDB Entry DOI: 10.7270/Q2D21Z74
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50368731
PNG
(CHEMBL1203185)
Show SMILES O=C(NCc1ccc2OCOc2c1)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
Show InChI InChI=1S/C20H18N2O3S/c23-20(22-9-12-5-6-16-17(7-12)25-11-24-16)15-8-14-13-3-1-2-4-18(13)26-19(14)10-21-15/h1-7,15,21H,8-11H2,(H,22,23)/t15-/m1/s1
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n/an/a 53n/an/an/an/an/an/a



Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 36: 3526-32 (1994)


BindingDB Entry DOI: 10.7270/Q2D21Z74
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50368735
PNG
(CHEMBL1203192)
Show SMILES CC(C)(C)C1CCC(CC1)NC(=O)[C@H]1Cc2c(CN1)sc1ccccc21 |r,wU:13.13,(-13.3,3.41,;-12.2,4.05,;-12.2,5.32,;-13.3,4.68,;-10.82,3.25,;-10.82,1.66,;-9.44,.87,;-8.06,1.66,;-8.06,3.25,;-9.44,4.05,;-6.68,.87,;-5.31,1.67,;-5.31,2.94,;-3.93,.87,;-2.64,1.63,;-1.3,.87,;-1.3,-.64,;-2.64,-1.4,;-3.93,-.64,;,-1.4,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;3.96,.87,;2.62,1.63,;1.3,.87,)|
Show InChI InChI=1S/C22H30N2OS/c1-22(2,3)14-8-10-15(11-9-14)24-21(25)18-12-17-16-6-4-5-7-19(16)26-20(17)13-23-18/h4-7,14-15,18,23H,8-13H2,1-3H3,(H,24,25)/t14?,15?,18-/m1/s1
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Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 36: 3526-32 (1994)


BindingDB Entry DOI: 10.7270/Q2D21Z74
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50368726
PNG
(CHEMBL1203156)
Show SMILES O=C(OC1CCCCCC1)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
Show InChI InChI=1S/C19H23NO2S/c21-19(22-13-7-3-1-2-4-8-13)16-11-15-14-9-5-6-10-17(14)23-18(15)12-20-16/h5-6,9-10,13,16,20H,1-4,7-8,11-12H2/t16-/m1/s1
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Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 36: 3526-32 (1994)


BindingDB Entry DOI: 10.7270/Q2D21Z74
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50368721
PNG
(CHEMBL1203199)
Show SMILES C[C@H](NC(=O)[C@H]1Cc2c(CN1)sc1ccccc21)c1ccccc1 |r|
Show InChI InChI=1S/C20H20N2OS/c1-13(14-7-3-2-4-8-14)22-20(23)17-11-16-15-9-5-6-10-18(15)24-19(16)12-21-17/h2-10,13,17,21H,11-12H2,1H3,(H,22,23)/t13-,17+/m0/s1
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Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 36: 3526-32 (1994)


BindingDB Entry DOI: 10.7270/Q2D21Z74
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50368732
PNG
(CHEMBL1203191)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1Cc2c(CN1)sc1ccccc21 |r,TLB:10:5:12:9.8.11,10:9:12:6.5.4,THB:8:7:10.9.11:4,8:9:12.7.6:4|
Show InChI InChI=1S/C22H26N2OS/c25-21(24-22-9-13-5-14(10-22)7-15(6-13)11-22)18-8-17-16-3-1-2-4-19(16)26-20(17)12-23-18/h1-4,13-15,18,23H,5-12H2,(H,24,25)/t13?,14?,15?,18-,22?/m1/s1
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n/an/a 62n/an/an/an/an/an/a



Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 36: 3526-32 (1994)


BindingDB Entry DOI: 10.7270/Q2D21Z74
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50036656
PNG
(1,2,3,4-Tetrahydro-benzo[4,5]thieno[2,3-c]pyridine...)
Show SMILES O=C(NC1CC2CCC1C2)[C@H]1Cc2c(CN1)sc1ccccc21 |THB:2:3:9:7.6|
Show InChI InChI=1S/C19H22N2OS/c22-19(21-15-8-11-5-6-12(15)7-11)16-9-14-13-3-1-2-4-17(13)23-18(14)10-20-16/h1-4,11-12,15-16,20H,5-10H2,(H,21,22)/t11?,12?,15?,16-/m1/s1
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Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 36: 3526-32 (1994)


BindingDB Entry DOI: 10.7270/Q2D21Z74
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50368719
PNG
(CHEMBL1203209)
Show SMILES O=C(OC1CCCCCCC1)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
Show InChI InChI=1S/C20H25NO2S/c22-20(23-14-8-4-2-1-3-5-9-14)17-12-16-15-10-6-7-11-18(15)24-19(16)13-21-17/h6-7,10-11,14,17,21H,1-5,8-9,12-13H2/t17-/m1/s1
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Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 36: 3526-32 (1994)


BindingDB Entry DOI: 10.7270/Q2D21Z74
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50368730
PNG
(CHEMBL1203166)
Show SMILES CCCCCCNC(=O)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
Show InChI InChI=1S/C18H24N2OS/c1-2-3-4-7-10-19-18(21)15-11-14-13-8-5-6-9-16(13)22-17(14)12-20-15/h5-6,8-9,15,20H,2-4,7,10-12H2,1H3,(H,19,21)/t15-/m1/s1
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Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 36: 3526-32 (1994)


BindingDB Entry DOI: 10.7270/Q2D21Z74
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50368722
PNG
(CHEMBL1203157)
Show SMILES O=C(NC1CCCC1)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
Show InChI InChI=1S/C17H20N2OS/c20-17(19-11-5-1-2-6-11)14-9-13-12-7-3-4-8-15(12)21-16(13)10-18-14/h3-4,7-8,11,14,18H,1-2,5-6,9-10H2,(H,19,20)/t14-/m1/s1
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Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 36: 3526-32 (1994)


BindingDB Entry DOI: 10.7270/Q2D21Z74
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50368713
PNG
(CHEMBL1203195)
Show SMILES O=C(OC1CCCC1)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
Show InChI InChI=1S/C17H19NO2S/c19-17(20-11-5-1-2-6-11)14-9-13-12-7-3-4-8-15(12)21-16(13)10-18-14/h3-4,7-8,11,14,18H,1-2,5-6,9-10H2/t14-/m1/s1
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Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 36: 3526-32 (1994)


BindingDB Entry DOI: 10.7270/Q2D21Z74
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50368725
PNG
(CHEMBL1203180)
Show SMILES CCCCCCCNC(=O)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
Show InChI InChI=1S/C19H26N2OS/c1-2-3-4-5-8-11-20-19(22)16-12-15-14-9-6-7-10-17(14)23-18(15)13-21-16/h6-7,9-10,16,21H,2-5,8,11-13H2,1H3,(H,20,22)/t16-/m1/s1
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n/an/a 126n/an/an/an/an/an/a



Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-hydroxytryptamine 1A receptor


J Med Chem 36: 3526-32 (1994)


BindingDB Entry DOI: 10.7270/Q2D21Z74
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50368729
PNG
(CHEMBL1203161)
Show SMILES CCC(CC)NC(=O)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
Show InChI InChI=1S/C17H22N2OS/c1-3-11(4-2)19-17(20)14-9-13-12-7-5-6-8-15(12)21-16(13)10-18-14/h5-8,11,14,18H,3-4,9-10H2,1-2H3,(H,19,20)/t14-/m1/s1
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Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 36: 3526-32 (1994)


BindingDB Entry DOI: 10.7270/Q2D21Z74
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50368727
PNG
(CHEMBL1203196)
Show SMILES Cc1ccc(CNC(=O)[C@H]2Cc3c(CN2)sc2ccccc32)cc1 |r|
Show InChI InChI=1S/C20H20N2OS/c1-13-6-8-14(9-7-13)11-22-20(23)17-10-16-15-4-2-3-5-18(15)24-19(16)12-21-17/h2-9,17,21H,10-12H2,1H3,(H,22,23)/t17-/m1/s1
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Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 36: 3526-32 (1994)


BindingDB Entry DOI: 10.7270/Q2D21Z74
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50368734
PNG
(CHEMBL1203162)
Show SMILES OC1CCCCC1NC(=O)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
Show InChI InChI=1S/C18H22N2O2S/c21-15-7-3-2-6-13(15)20-18(22)14-9-12-11-5-1-4-8-16(11)23-17(12)10-19-14/h1,4-5,8,13-15,19,21H,2-3,6-7,9-10H2,(H,20,22)/t13?,14-,15?/m1/s1
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n/an/a 149n/an/an/an/an/an/a



Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 36: 3526-32 (1994)


BindingDB Entry DOI: 10.7270/Q2D21Z74
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50368718
PNG
(CHEMBL1203202)
Show SMILES O=C(NN1CCCCC1)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
Show InChI InChI=1S/C17H21N3OS/c21-17(19-20-8-4-1-5-9-20)14-10-13-12-6-2-3-7-15(12)22-16(13)11-18-14/h2-3,6-7,14,18H,1,4-5,8-11H2,(H,19,21)/t14-/m1/s1
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Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 36: 3526-32 (1994)


BindingDB Entry DOI: 10.7270/Q2D21Z74
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50368714
PNG
(CHEMBL1203181)
Show SMILES O=C(NC1CCC1)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
Show InChI InChI=1S/C16H18N2OS/c19-16(18-10-4-3-5-10)13-8-12-11-6-1-2-7-14(11)20-15(12)9-17-13/h1-2,6-7,10,13,17H,3-5,8-9H2,(H,18,19)/t13-/m1/s1
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Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 36: 3526-32 (1994)


BindingDB Entry DOI: 10.7270/Q2D21Z74
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50368733
PNG
(CHEMBL1203175)
Show SMILES O=C(Nc1ccccc1)[C@H]1Cc2c(CN1)sc1ccccc21 |r|
Show InChI InChI=1S/C18H16N2OS/c21-18(20-12-6-2-1-3-7-12)15-10-14-13-8-4-5-9-16(13)22-17(14)11-19-15/h1-9,15,19H,10-11H2,(H,20,21)/t15-/m1/s1
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n/an/a 272n/an/an/an/an/an/a



Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 36: 3526-32 (1994)


BindingDB Entry DOI: 10.7270/Q2D21Z74
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50456203
PNG
(CHEMBL2092955)
Show SMILES Cl.O=C(NC1CCCCC1)[C@@H]1Cc2c(CN1)sc1ccccc21 |r|
Show InChI InChI=1S/C18H22N2OS.ClH/c21-18(20-12-6-2-1-3-7-12)15-10-14-13-8-4-5-9-16(13)22-17(14)11-19-15;/h4-5,8-9,12,15,19H,1-3,6-7,10-11H2,(H,20,21);1H/t15-;/m0./s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 36: 3526-32 (1994)


BindingDB Entry DOI: 10.7270/Q2D21Z74
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50456204
PNG
(CHEMBL2092953)
Show SMILES Cl.O=C(NCc1ccc2OCOc2c1)[C@@H]1Cc2c(CN1)sc1ccccc21 |r|
Show InChI InChI=1S/C20H18N2O3S.ClH/c23-20(22-9-12-5-6-16-17(7-12)25-11-24-16)15-8-14-13-3-1-2-4-18(13)26-19(14)10-21-15;/h1-7,15,21H,8-11H2,(H,22,23);1H/t15-;/m0./s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity by measuring displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 36: 3526-32 (1994)


BindingDB Entry DOI: 10.7270/Q2D21Z74
More data for this
Ligand-Target Pair