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Compile Data Set for Download or QSAR

Found 56 hits with Last Name = 'slusher' and Initial = 'rm'   
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
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50020702
PNG
(3-(2-Dipropylamino-ethyl)-1H-indol-5-ol | 3-(2-Dip...)
Show SMILES CCCN(CCC)CCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C16H24N2O/c1-3-8-18(9-4-2)10-7-13-12-17-16-6-5-14(19)11-15(13)16/h5-6,11-12,17,19H,3-4,7-10H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Effect on plasma amine oxidase (0.1 uM) after 30 min of incubation at pH 7.2


J Med Chem 31: 867-70 (1988)


Article DOI: 10.1021/jm00399a031
BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
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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1.20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor


J Med Chem 31: 867-70 (1988)


Article DOI: 10.1021/jm00399a031
BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50016737
PNG
((8-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-dip...)
Show SMILES CCCN(CCC)C1CCc2cccc(OC)c2C1
Show InChI InChI=1S/C17H27NO/c1-4-11-18(12-5-2)15-10-9-14-7-6-8-17(19-3)16(14)13-15/h6-8,15H,4-5,9-13H2,1-3H3
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1.30n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor


J Med Chem 31: 867-70 (1988)


Article DOI: 10.1021/jm00399a031
BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
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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1.70n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor


J Med Chem 31: 867-70 (1988)


Article DOI: 10.1021/jm00399a031
BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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3.20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor


J Med Chem 31: 867-70 (1988)


Article DOI: 10.1021/jm00399a031
BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards 5-hydroxytryptamine 1B receptor


J Med Chem 31: 867-70 (1988)


Article DOI: 10.1021/jm00399a031
BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50020703
PNG
(CHEMBL169328 | [2-(5-Methoxy-1H-indol-3-yl)-ethyl]...)
Show SMILES CCCN(CCC)CCc1c[nH]c2ccc(OC)cc12
Show InChI InChI=1S/C17H26N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h6-7,12-13,18H,4-5,8-11H2,1-3H3
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4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor


J Med Chem 31: 867-70 (1988)


Article DOI: 10.1021/jm00399a031
BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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4.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Effect on plasma amine oxidase (0.1 uM) after 30 min of incubation at pH 7.2


J Med Chem 31: 867-70 (1988)


Article DOI: 10.1021/jm00399a031
BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
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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5.40n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards 5-hydroxytryptamine 1B receptor


J Med Chem 31: 867-70 (1988)


Article DOI: 10.1021/jm00399a031
BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50020703
PNG
(CHEMBL169328 | [2-(5-Methoxy-1H-indol-3-yl)-ethyl]...)
Show SMILES CCCN(CCC)CCc1c[nH]c2ccc(OC)cc12
Show InChI InChI=1S/C17H26N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h6-7,12-13,18H,4-5,8-11H2,1-3H3
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7.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor mu 1


J Med Chem 31: 867-70 (1988)


Article DOI: 10.1021/jm00399a031
BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50020702
PNG
(3-(2-Dipropylamino-ethyl)-1H-indol-5-ol | 3-(2-Dip...)
Show SMILES CCCN(CCC)CCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C16H24N2O/c1-3-8-18(9-4-2)10-7-13-12-17-16-6-5-14(19)11-15(13)16/h5-6,11-12,17,19H,3-4,7-10H2,1-2H3
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7.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor


J Med Chem 31: 867-70 (1988)


Article DOI: 10.1021/jm00399a031
BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM30707
PNG
(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
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7.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor


J Med Chem 31: 867-70 (1988)


Article DOI: 10.1021/jm00399a031
BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
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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7.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor kappa 1


J Med Chem 31: 867-70 (1988)


Article DOI: 10.1021/jm00399a031
BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50005265
PNG
((+/-)2-(2,5-Dimethoxy-4-methyl-phenyl)-1-methyl-et...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1C
Show InChI InChI=1S/C12H19NO2/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3/h5,7,9H,6,13H2,1-4H3
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8n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Effect on plasma amine oxidase (0.1 uM) after 15 min of incubation at pH 7.2


J Med Chem 31: 867-70 (1988)


Article DOI: 10.1021/jm00399a031
BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM30707
PNG
(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
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15n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Effect on plasma amine oxidase (0.1 uM) after 0 min of incubation at pH 7.2


J Med Chem 31: 867-70 (1988)


Article DOI: 10.1021/jm00399a031
BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50007407
PNG
(1-NP | 1-Naphthalen-1-yl-piperazine | 4-Naphthalen...)
Show SMILES C1CN(CCN1)c1cccc2ccccc12
Show InChI InChI=1S/C14H16N2/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16/h1-7,15H,8-11H2
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat cortical membrane homogenates


J Med Chem 29: 2375-80 (1986)


Article DOI: 10.1021/jm00161a038
BindingDB Entry DOI: 10.7270/Q23N25KJ
More data for this
Ligand-Target Pair
Thymidylate synthase/GAR transformylase/AICAR transformylase


(Homo sapiens (Human))
BDBM50022736
PNG
(2-[4-({2-Amino-5-[1-(4-hydroxy-5-phosphonooxymethy...)
Show SMILES Nc1nc(O)c2N(Cc3cn([C@H]4C[C@H](O)[C@@H](COP(O)(O)=O)O4)c(=O)[nH]c3=O)C(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)CCc2n1
Show InChI InChI=1S/C30H37N8O14P/c31-29-34-18-6-5-17(10-32-16-3-1-14(2-4-16)25(42)33-19(28(45)46)7-8-23(40)41)37(24(18)27(44)35-29)11-15-12-38(30(47)36-26(15)43)22-9-20(39)21(52-22)13-51-53(48,49)50/h1-4,12,17,19-22,32,39H,5-11,13H2,(H,33,42)(H,40,41)(H,45,46)(H,36,43,47)(H2,48,49,50)(H3,31,34,35,44)/t17?,19?,20-,21+,22+/m0/s1
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27n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate synthase at 600 uM concentration of 5,10-CH2-H4PteGlu


J Med Chem 31: 2126-32 (1988)


Article DOI: 10.1021/jm00119a012
BindingDB Entry DOI: 10.7270/Q26H4J0S
More data for this
Ligand-Target Pair
Thymidylate synthase/GAR transformylase/AICAR transformylase


(Homo sapiens (Human))
BDBM50022737
PNG
(2-{4-[(2-{(2-Amino-4-methyl-6-oxo-1,6-dihydro-pyri...)
Show SMILES CN(CCN(Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O)c1c(C)nc(N)nc1O)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C30H39N8O14P/c1-15-24(27(44)34-29(31)32-15)37(10-9-36(2)18-5-3-16(4-6-18)25(42)33-19(28(45)46)7-8-23(40)41)12-17-13-38(30(47)35-26(17)43)22-11-20(39)21(52-22)14-51-53(48,49)50/h3-6,13,19-22,39H,7-12,14H2,1-2H3,(H,33,42)(H,40,41)(H,45,46)(H,35,43,47)(H2,48,49,50)(H3,31,32,34,44)/t19?,20-,21+,22+/m0/s1
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37n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of human thymidylate synthase at 600 uM concentration of 5,10-CH2-H4PteGlu


J Med Chem 31: 2126-32 (1988)


Article DOI: 10.1021/jm00119a012
BindingDB Entry DOI: 10.7270/Q26H4J0S
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50007411
PNG
(1-Naphthalen-2-yl-piperazine | CHEMBL278509)
Show SMILES C1CN(CCN1)c1ccc2ccccc2c1
Show InChI InChI=1S/C14H16N2/c1-2-4-13-11-14(6-5-12(13)3-1)16-9-7-15-8-10-16/h1-6,11,15H,7-10H2
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70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat cortical membrane homogenates


J Med Chem 29: 2375-80 (1986)


Article DOI: 10.1021/jm00161a038
BindingDB Entry DOI: 10.7270/Q23N25KJ
More data for this
Ligand-Target Pair
Thymidylate synthase/GAR transformylase/AICAR transformylase


(Homo sapiens (Human))
BDBM50022736
PNG
(2-[4-({2-Amino-5-[1-(4-hydroxy-5-phosphonooxymethy...)
Show SMILES Nc1nc(O)c2N(Cc3cn([C@H]4C[C@H](O)[C@@H](COP(O)(O)=O)O4)c(=O)[nH]c3=O)C(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)CCc2n1
Show InChI InChI=1S/C30H37N8O14P/c31-29-34-18-6-5-17(10-32-16-3-1-14(2-4-16)25(42)33-19(28(45)46)7-8-23(40)41)37(24(18)27(44)35-29)11-15-12-38(30(47)36-26(15)43)22-9-20(39)21(52-22)13-51-53(48,49)50/h1-4,12,17,19-22,32,39H,5-11,13H2,(H,33,42)(H,40,41)(H,45,46)(H,36,43,47)(H2,48,49,50)(H3,31,34,35,44)/t17?,19?,20-,21+,22+/m0/s1
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85n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Competitive inhibition of the human thymidylate synthase at 600 uM of [dUMP]


J Med Chem 31: 2126-32 (1988)


Article DOI: 10.1021/jm00119a012
BindingDB Entry DOI: 10.7270/Q26H4J0S
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50005265
PNG
((+/-)2-(2,5-Dimethoxy-4-methyl-phenyl)-1-methyl-et...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1C
Show InChI InChI=1S/C12H19NO2/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3/h5,7,9H,6,13H2,1-4H3
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100n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Effect on plasma amine oxidase (0.1 uM) after 30 min of incubation at pH 7.2


J Med Chem 31: 867-70 (1988)


Article DOI: 10.1021/jm00399a031
BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50022737
PNG
(2-{4-[(2-{(2-Amino-4-methyl-6-oxo-1,6-dihydro-pyri...)
Show SMILES CN(CCN(Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O)c1c(C)nc(N)nc1O)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C30H39N8O14P/c1-15-24(27(44)34-29(31)32-15)37(10-9-36(2)18-5-3-16(4-6-18)25(42)33-19(28(45)46)7-8-23(40)41)12-17-13-38(30(47)35-26(17)43)22-11-20(39)21(52-22)14-51-53(48,49)50/h3-6,13,19-22,39H,7-12,14H2,1-2H3,(H,33,42)(H,40,41)(H,45,46)(H,35,43,47)(H2,48,49,50)(H3,31,32,34,44)/t19?,20-,21+,22+/m0/s1
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230n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Competitive inhibition of the human thymidylate synthase at 28 uM as Ki(slope) of 5,10-CH2-H4PteGlu


J Med Chem 31: 2126-32 (1988)


Article DOI: 10.1021/jm00119a012
BindingDB Entry DOI: 10.7270/Q26H4J0S
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50014407
PNG
(2-(piperazin-1-yl)quinoline | 2-Piperazin-1-yl-qui...)
Show SMILES C1CN(CCN1)c1ccc2ccccc2n1
Show InChI InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2
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230n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat cortical membrane homogenates


J Med Chem 29: 2375-80 (1986)


Article DOI: 10.1021/jm00161a038
BindingDB Entry DOI: 10.7270/Q23N25KJ
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50016737
PNG
((8-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-dip...)
Show SMILES CCCN(CCC)C1CCc2cccc(OC)c2C1
Show InChI InChI=1S/C17H27NO/c1-4-11-18(12-5-2)15-10-9-14-7-6-8-17(19-3)16(14)13-15/h6-8,15H,4-5,9-13H2,1-3H3
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280n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Effect on plasma amine oxidase (0.1 uM) after 15 min of incubation at pH 7.2


J Med Chem 31: 867-70 (1988)


Article DOI: 10.1021/jm00399a031
BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
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305n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Effect on plasma amine oxidase (0.1 uM) after 30 min of incubation at pH 7.2


J Med Chem 31: 867-70 (1988)


Article DOI: 10.1021/jm00399a031
BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50025465
PNG
(8-Methoxy-2-piperazin-1-yl-quinoline | 8-Methoxyqu...)
Show SMILES COc1cccc2ccc(nc12)N1CCNCC1
Show InChI InChI=1S/C14H17N3O/c1-18-12-4-2-3-11-5-6-13(16-14(11)12)17-9-7-15-8-10-17/h2-6,15H,7-10H2,1H3
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310n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat cortical membrane homogenates


J Med Chem 29: 2375-80 (1986)


Article DOI: 10.1021/jm00161a038
BindingDB Entry DOI: 10.7270/Q23N25KJ
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM30707
PNG
(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
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350n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards 5-hydroxytryptamine 1B receptor


J Med Chem 31: 867-70 (1988)


Article DOI: 10.1021/jm00399a031
BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50020702
PNG
(3-(2-Dipropylamino-ethyl)-1H-indol-5-ol | 3-(2-Dip...)
Show SMILES CCCN(CCC)CCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C16H24N2O/c1-3-8-18(9-4-2)10-7-13-12-17-16-6-5-14(19)11-15(13)16/h5-6,11-12,17,19H,3-4,7-10H2,1-2H3
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450n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Effect on plasma amine oxidase (0.1 uM) after 15 min of incubation at pH 7.2


J Med Chem 31: 867-70 (1988)


Article DOI: 10.1021/jm00399a031
BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM30707
PNG
(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
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620n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Effect on plasma amine oxidase (0.1 uM) after 15 min of incubation at pH 7.2


J Med Chem 31: 867-70 (1988)


Article DOI: 10.1021/jm00399a031
BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
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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635n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for the Opioid receptor mu 1


J Med Chem 31: 867-70 (1988)


Article DOI: 10.1021/jm00399a031
BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50020703
PNG
(CHEMBL169328 | [2-(5-Methoxy-1H-indol-3-yl)-ethyl]...)
Show SMILES CCCN(CCC)CCc1c[nH]c2ccc(OC)cc12
Show InChI InChI=1S/C17H26N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h6-7,12-13,18H,4-5,8-11H2,1-3H3
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655n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Effect on plasma amine oxidase (0.1 uM) after 30 min of incubation at pH 7.2


J Med Chem 31: 867-70 (1988)


Article DOI: 10.1021/jm00399a031
BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
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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930n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Effect on plasma amine oxidase (0.1 uM) after 15 min of incubation at pH 7.2


J Med Chem 31: 867-70 (1988)


Article DOI: 10.1021/jm00399a031
BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50016737
PNG
((8-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-dip...)
Show SMILES CCCN(CCC)C1CCc2cccc(OC)c2C1
Show InChI InChI=1S/C17H27NO/c1-4-11-18(12-5-2)15-10-9-14-7-6-8-17(19-3)16(14)13-15/h6-8,15H,4-5,9-13H2,1-3H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards 5-hydroxytryptamine 1B receptor


J Med Chem 31: 867-70 (1988)


Article DOI: 10.1021/jm00399a031
BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50025469
PNG
(8-Methoxy-2-(4-methyl-piperazin-1-yl)-quinoline | ...)
Show SMILES COc1cccc2ccc(nc12)N1CCN(C)CC1
Show InChI InChI=1S/C15H19N3O/c1-17-8-10-18(11-9-17)14-7-6-12-4-3-5-13(19-2)15(12)16-14/h3-7H,8-11H2,1-2H3
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1.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat cortical membrane homogenates


J Med Chem 29: 2375-80 (1986)


Article DOI: 10.1021/jm00161a038
BindingDB Entry DOI: 10.7270/Q23N25KJ
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50020703
PNG
(CHEMBL169328 | [2-(5-Methoxy-1H-indol-3-yl)-ethyl]...)
Show SMILES CCCN(CCC)CCc1c[nH]c2ccc(OC)cc12
Show InChI InChI=1S/C17H26N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h6-7,12-13,18H,4-5,8-11H2,1-3H3
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1.80E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards 5-hydroxytryptamine 1B receptor


J Med Chem 31: 867-70 (1988)


Article DOI: 10.1021/jm00399a031
BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50005265
PNG
((+/-)2-(2,5-Dimethoxy-4-methyl-phenyl)-1-methyl-et...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1C
Show InChI InChI=1S/C12H19NO2/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3/h5,7,9H,6,13H2,1-4H3
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2.07E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-HT1B serotonin receptor in rat striatum


J Med Chem 31: 867-70 (1988)


Article DOI: 10.1021/jm00399a031
BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001898
PNG
(1-Phenyl-piperazine | CHEMBL9434 | PHENYLPIPERAZIN...)
Show SMILES C1CN(CCN1)c1ccccc1
Show InChI InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2
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2.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat cortical membrane homogenates


J Med Chem 29: 2375-80 (1986)


Article DOI: 10.1021/jm00161a038
BindingDB Entry DOI: 10.7270/Q23N25KJ
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50016737
PNG
((8-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-dip...)
Show SMILES CCCN(CCC)C1CCc2cccc(OC)c2C1
Show InChI InChI=1S/C17H27NO/c1-4-11-18(12-5-2)15-10-9-14-7-6-8-17(19-3)16(14)13-15/h6-8,15H,4-5,9-13H2,1-3H3
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3.05E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Effect on plasma amine oxidase (0.1 uM) after 30 min of incubation at pH 7.2


J Med Chem 31: 867-70 (1988)


Article DOI: 10.1021/jm00399a031
BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50020702
PNG
(3-(2-Dipropylamino-ethyl)-1H-indol-5-ol | 3-(2-Dip...)
Show SMILES CCCN(CCC)CCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C16H24N2O/c1-3-8-18(9-4-2)10-7-13-12-17-16-6-5-14(19)11-15(13)16/h5-6,11-12,17,19H,3-4,7-10H2,1-2H3
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4.30E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards 5-hydroxytryptamine 1B receptor


J Med Chem 31: 867-70 (1988)


Article DOI: 10.1021/jm00399a031
BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50005265
PNG
((+/-)2-(2,5-Dimethoxy-4-methyl-phenyl)-1-methyl-et...)
Show SMILES COc1cc(CC(C)N)c(OC)cc1C
Show InChI InChI=1S/C12H19NO2/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3/h5,7,9H,6,13H2,1-4H3
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5.13E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor in rat hippocampal tissue


J Med Chem 31: 867-70 (1988)


Article DOI: 10.1021/jm00399a031
BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
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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5.35E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Effect on plasma amine oxidase (0.1 uM) after 30 min of incubation at pH 7.2


J Med Chem 31: 867-70 (1988)


Article DOI: 10.1021/jm00399a031
BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
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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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards 5-hydroxytryptamine 1B receptor


J Med Chem 31: 867-70 (1988)


Article DOI: 10.1021/jm00399a031
BindingDB Entry DOI: 10.7270/Q2QN65SB
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM23981
PNG
((2S)-1,2,3,4-Tetrahydro-naphthalen-2-ylamine | 1,2...)
Show SMILES NC1CCc2ccccc2C1
Show InChI InChI=1S/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7,11H2
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1.11E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat cortical membrane homogenates


J Med Chem 29: 2375-80 (1986)


Article DOI: 10.1021/jm00161a038
BindingDB Entry DOI: 10.7270/Q23N25KJ
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50025466
PNG
(8-Methoxy-quinolin-2-ylamine | CHEMBL77072)
Show SMILES COc1cccc2ccc(N)nc12
Show InChI InChI=1S/C10H10N2O/c1-13-8-4-2-3-7-5-6-9(11)12-10(7)8/h2-6H,1H3,(H2,11,12)
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3.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat cortical membrane homogenates


J Med Chem 29: 2375-80 (1986)


Article DOI: 10.1021/jm00161a038
BindingDB Entry DOI: 10.7270/Q23N25KJ
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50226052
PNG
(CHEMBL80988)
Show SMILES CCCN(CCC)c1ccc2cccc(OC)c2n1
Show InChI InChI=1S/C16H22N2O/c1-4-11-18(12-5-2)15-10-9-13-7-6-8-14(19-3)16(13)17-15/h6-10H,4-5,11-12H2,1-3H3
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5.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat cortical membrane homogenates


J Med Chem 29: 2375-80 (1986)


Article DOI: 10.1021/jm00161a038
BindingDB Entry DOI: 10.7270/Q23N25KJ
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50025467
PNG
(2-(N-dipropylamino)quinoline | CHEMBL78878 | Dipro...)
Show SMILES CCCN(CCC)c1ccc2ccccc2n1
Show InChI InChI=1S/C15H20N2/c1-3-11-17(12-4-2)15-10-9-13-7-5-6-8-14(13)16-15/h5-10H,3-4,11-12H2,1-2H3
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5.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat cortical membrane homogenates


J Med Chem 29: 2375-80 (1986)


Article DOI: 10.1021/jm00161a038
BindingDB Entry DOI: 10.7270/Q23N25KJ
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50226053
PNG
(CHEMBL75983)
Show SMILES COc1cccc2ccc(nc12)N1CCCCC1
Show InChI InChI=1S/C15H18N2O/c1-18-13-7-5-6-12-8-9-14(16-15(12)13)17-10-3-2-4-11-17/h5-9H,2-4,10-11H2,1H3
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7.10E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat cortical membrane homogenates


J Med Chem 29: 2375-80 (1986)


Article DOI: 10.1021/jm00161a038
BindingDB Entry DOI: 10.7270/Q23N25KJ
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM14322
PNG
(2-Aminoquinoline 1 | 2-aminoquinoline | CHEMBL6123...)
Show SMILES Nc1ccc2ccccc2n1
Show InChI InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11)
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7.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat cortical membrane homogenates


J Med Chem 29: 2375-80 (1986)


Article DOI: 10.1021/jm00161a038
BindingDB Entry DOI: 10.7270/Q23N25KJ
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50025470
PNG
(2-Piperidin-1-yl-quinoline | CHEMBL76495 | N4-Deaz...)
Show SMILES C1CCN(CC1)c1ccc2ccccc2n1
Show InChI InChI=1S/C14H16N2/c1-4-10-16(11-5-1)14-9-8-12-6-2-3-7-13(12)15-14/h2-3,6-9H,1,4-5,10-11H2
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>1.50E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat cortical membrane homogenates


J Med Chem 29: 2375-80 (1986)


Article DOI: 10.1021/jm00161a038
BindingDB Entry DOI: 10.7270/Q23N25KJ
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50226051
PNG
(CHEMBL80298 | Quinolin-3-ylamine)
Show SMILES Nc1cnc2ccccc2c1
Show InChI InChI=1S/C9H8N2/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H,10H2
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>3.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat cortical membrane homogenates


J Med Chem 29: 2375-80 (1986)


Article DOI: 10.1021/jm00161a038
BindingDB Entry DOI: 10.7270/Q23N25KJ
More data for this
Ligand-Target Pair
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