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Compile Data Set for Download or QSAR

Found 67 hits Enz. Inhib. hit(s) with all data for entry = 5017   
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 2A


(PIG)
BDBM30704
PNG
((phenylmethyl) N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13
Show InChI InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1
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0.370n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM30704
PNG
((phenylmethyl) N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13
Show InChI InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1
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0.760n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Monkey)
BDBM30704
PNG
((phenylmethyl) N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13
Show InChI InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1
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0.820n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM30704
PNG
((phenylmethyl) N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a...)
Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13
Show InChI InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM84933
PNG
(6-Methyl-N-cyclohexylergoline-8-beta-carboxamide |...)
Show SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H29N3O/c1-25-13-15(22(26)24-16-6-3-2-4-7-16)10-18-17-8-5-9-19-21(17)14(12-23-19)11-20(18)25/h5,8-9,12,15-16,18,20,23H,2-4,6-7,10-11,13H2,1H3,(H,24,26)/t15-,18-,20-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Monkey)
BDBM84933
PNG
(6-Methyl-N-cyclohexylergoline-8-beta-carboxamide |...)
Show SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H29N3O/c1-25-13-15(22(26)24-16-6-3-2-4-7-16)10-18-17-8-5-9-19-21(17)14(12-23-19)11-20(18)25/h5,8-9,12,15-16,18,20,23H,2-4,6-7,10-11,13H2,1H3,(H,24,26)/t15-,18-,20-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM84937
PNG
(6-Methylergoline-8żżżż-carboxylic acid 4-methoxycy...)
Show SMILES COC1CCC(CC1)OC(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1 |wU:13.24,11.11,wD:14.28,(3.85,8.25,;3.08,6.91,;3.85,5.58,;5.39,5.58,;6.16,4.25,;5.39,2.91,;3.85,2.91,;3.08,4.25,;6.16,1.58,;5.39,.24,;3.85,.24,;6.16,-1.09,;6.16,-2.63,;7.49,-3.4,;8.83,-2.63,;10.16,-3.4,;10.16,-4.94,;11.31,-5.97,;10.68,-7.38,;9.15,-7.22,;8,-8.25,;6.54,-7.77,;6.22,-6.26,;7.49,-4.94,;8.83,-5.71,;8.83,-1.09,;10.16,-.32,;7.49,-.32,)|
Show InChI InChI=1S/C23H30N2O3/c1-25-13-15(23(26)28-17-8-6-16(27-2)7-9-17)10-19-18-4-3-5-20-22(18)14(12-24-20)11-21(19)25/h3-5,12,15-17,19,21,24H,6-11,13H2,1-2H3/t15-,16?,17?,19-,21-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM84931
PNG
(LY 225297 | LY-225297 | N-[(1R,2S)-2-Hydroxycyclop...)
Show SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@@H]1CCC[C@@H]1O
Show InChI InChI=1S/C21H27N3O2/c1-24-11-13(21(26)23-16-5-3-7-19(16)25)8-15-14-4-2-6-17-20(14)12(10-22-17)9-18(15)24/h2,4,6,10,13,15-16,18-19,22,25H,3,5,7-9,11H2,1H3,(H,23,26)/t13-,15-,16-,18-,19+/m1/s1
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2.90n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Monkey)
BDBM84935
PNG
(LY 86057 | LY86057)
Show SMILES CC(O)C(C)OC(=O)C1CC2C(Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C20H26N2O3/c1-11(23)12(2)25-20(24)14-7-16-15-5-4-6-17-19(15)13(9-21-17)8-18(16)22(3)10-14/h4-6,9,11-12,14,16,18,21,23H,7-8,10H2,1-3H3
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3.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM84935
PNG
(LY 86057 | LY86057)
Show SMILES CC(O)C(C)OC(=O)C1CC2C(Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C20H26N2O3/c1-11(23)12(2)25-20(24)14-7-16-15-5-4-6-17-19(15)13(9-21-17)8-18(16)22(3)10-14/h4-6,9,11-12,14,16,18,21,23H,7-8,10H2,1-3H3
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3.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Monkey)
BDBM81446
PNG
(CAS_60-79-7 | ERGONOVINE | NSC_104873)
Show SMILES CC(CO)NC(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:22|
Show InChI InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)
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3.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(PIG)
BDBM84933
PNG
(6-Methyl-N-cyclohexylergoline-8-beta-carboxamide |...)
Show SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H29N3O/c1-25-13-15(22(26)24-16-6-3-2-4-7-16)10-18-17-8-5-9-19-21(17)14(12-23-19)11-20(18)25/h5,8-9,12,15-16,18,20,23H,2-4,6-7,10-11,13H2,1H3,(H,24,26)/t15-,18-,20-/m1/s1
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3.60n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(PIG)
BDBM81446
PNG
(CAS_60-79-7 | ERGONOVINE | NSC_104873)
Show SMILES CC(CO)NC(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:22|
Show InChI InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)
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3.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(PIG)
BDBM84935
PNG
(LY 86057 | LY86057)
Show SMILES CC(O)C(C)OC(=O)C1CC2C(Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C20H26N2O3/c1-11(23)12(2)25-20(24)14-7-16-15-5-4-6-17-19(15)13(9-21-17)8-18(16)22(3)10-14/h4-6,9,11-12,14,16,18,21,23H,7-8,10H2,1-3H3
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4.60n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM84932
PNG
(CAS_132049 | LY 215840 | NSC_132049)
Show SMILES CC(C)n1cc2CC3C(CC(CN3C)C(=O)NC3CCCC3O)c3cccc1c23
Show InChI InChI=1S/C24H33N3O2/c1-14(2)27-13-15-11-21-18(17-6-4-8-20(27)23(15)17)10-16(12-26(21)3)24(29)25-19-7-5-9-22(19)28/h4,6,8,13-14,16,18-19,21-22,28H,5,7,9-12H2,1-3H3,(H,25,29)
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5.80n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM82516
PNG
(AMESERGIDE | CAS_121588-75-8 | NSC_60740)
Show SMILES CC(C)n1cc2CC3C(CC(CN3C)C(=O)NC3CCCCC3)c3cccc1c23
Show InChI InChI=1S/C25H35N3O/c1-16(2)28-15-17-13-23-21(20-10-7-11-22(28)24(17)20)12-18(14-27(23)3)25(29)26-19-8-5-4-6-9-19/h7,10-11,15-16,18-19,21,23H,4-6,8-9,12-14H2,1-3H3,(H,26,29)
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6.90n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM84930
PNG
(CAS_60634-51-7 | LY 53857 | NSC_107989)
Show SMILES CC(O)C(C)OC(=O)C1CC2C(Cc3cn(C(C)C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C23H32N2O3/c1-13(2)25-12-16-10-21-19(18-7-6-8-20(25)22(16)18)9-17(11-24(21)5)23(27)28-15(4)14(3)26/h6-8,12-15,17,19,21,26H,9-11H2,1-5H3
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7.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50024204
PNG
(1H-imidazo[4,5-c]pyridine derivative | 2N-[4,7-dim...)
Show SMILES CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15+,17+/m0/s1
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8.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM84939
PNG
(1,6-Dimethylergoline-8β-carboxylic acid 2-hydroxy...)
Show SMILES CC(O)C(C)OC(=O)[C@@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C21H28N2O3/c1-12(24)13(2)26-21(25)15-8-17-16-6-5-7-18-20(16)14(10-22(18)3)9-19(17)23(4)11-15/h5-7,10,12-13,15,17,19,24H,8-9,11H2,1-4H3/t12?,13?,15-,17-,19-/m1/s1
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9.30n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM84942
PNG
(CAS_108674-86-8 | NSC_60262 | Sergolexole)
Show SMILES COC1CCC(CC1)OC(=O)C1CC2C(Cc3cn(C(C)C)c4cccc2c34)N(C)C1 |(1.08,-14.15,;-.25,-13.38,;-.25,-11.84,;1.09,-11.07,;1.09,-9.53,;-.24,-8.76,;-1.58,-9.53,;-1.58,-11.07,;-.24,-7.22,;-1.58,-6.45,;-2.91,-7.22,;-1.57,-4.91,;-.24,-4.14,;-.24,-2.6,;-1.57,-1.83,;-1.57,-.29,;-.24,.48,;.32,2.08,;1.86,2.08,;2.75,3.34,;2.1,4.74,;4.28,3.2,;2.43,.48,;3.76,-.29,;3.76,-1.83,;2.43,-2.6,;1.09,-1.83,;1.09,-.29,;-2.9,-2.6,;-4.24,-1.83,;-2.91,-4.14,)|
Show InChI InChI=1S/C26H36N2O3/c1-16(2)28-15-17-13-24-22(21-6-5-7-23(28)25(17)21)12-18(14-27(24)3)26(29)31-20-10-8-19(30-4)9-11-20/h5-7,15-16,18-20,22,24H,8-14H2,1-4H3
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10.9n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Monkey)
BDBM82516
PNG
(AMESERGIDE | CAS_121588-75-8 | NSC_60740)
Show SMILES CC(C)n1cc2CC3C(CC(CN3C)C(=O)NC3CCCCC3)c3cccc1c23
Show InChI InChI=1S/C25H35N3O/c1-16(2)28-15-17-13-23-21(20-10-7-11-22(28)24(17)20)12-18(14-27(23)3)25(29)26-19-8-5-4-6-9-19/h7,10-11,15-16,18-19,21,23H,4-6,8-9,12-14H2,1-3H3,(H,26,29)
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26.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM84932
PNG
(CAS_132049 | LY 215840 | NSC_132049)
Show SMILES CC(C)n1cc2CC3C(CC(CN3C)C(=O)NC3CCCC3O)c3cccc1c23
Show InChI InChI=1S/C24H33N3O2/c1-14(2)27-13-15-11-21-18(17-6-4-8-20(27)23(15)17)10-16(12-26(21)3)24(29)25-19-7-5-9-22(19)28/h4,6,8,13-14,16,18-19,21-22,28H,5,7,9-12H2,1-3H3,(H,25,29)
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27.7n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM84930
PNG
(CAS_60634-51-7 | LY 53857 | NSC_107989)
Show SMILES CC(O)C(C)OC(=O)C1CC2C(Cc3cn(C(C)C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C23H32N2O3/c1-13(2)25-12-16-10-21-19(18-7-6-8-20(25)22(16)18)9-17(11-24(21)5)23(27)28-15(4)14(3)26/h6-8,12-15,17,19,21,26H,9-11H2,1-5H3
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30.6n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(PIG)
BDBM82516
PNG
(AMESERGIDE | CAS_121588-75-8 | NSC_60740)
Show SMILES CC(C)n1cc2CC3C(CC(CN3C)C(=O)NC3CCCCC3)c3cccc1c23
Show InChI InChI=1S/C25H35N3O/c1-16(2)28-15-17-13-23-21(20-10-7-11-22(28)24(17)20)12-18(14-27(23)3)25(29)26-19-8-5-4-6-9-19/h7,10-11,15-16,18-19,21,23H,4-6,8-9,12-14H2,1-3H3,(H,26,29)
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30.7n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM81446
PNG
(CAS_60-79-7 | ERGONOVINE | NSC_104873)
Show SMILES CC(CO)NC(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:22|
Show InChI InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)
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31.1n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Monkey)
BDBM84930
PNG
(CAS_60634-51-7 | LY 53857 | NSC_107989)
Show SMILES CC(O)C(C)OC(=O)C1CC2C(Cc3cn(C(C)C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C23H32N2O3/c1-13(2)25-12-16-10-21-19(18-7-6-8-20(25)22(16)18)9-17(11-24(21)5)23(27)28-15(4)14(3)26/h6-8,12-15,17,19,21,26H,9-11H2,1-5H3
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33.1n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(PIG)
BDBM84930
PNG
(CAS_60634-51-7 | LY 53857 | NSC_107989)
Show SMILES CC(O)C(C)OC(=O)C1CC2C(Cc3cn(C(C)C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C23H32N2O3/c1-13(2)25-12-16-10-21-19(18-7-6-8-20(25)22(16)18)9-17(11-24(21)5)23(27)28-15(4)14(3)26/h6-8,12-15,17,19,21,26H,9-11H2,1-5H3
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40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM84933
PNG
(6-Methyl-N-cyclohexylergoline-8-beta-carboxamide |...)
Show SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)NC1CCCCC1
Show InChI InChI=1S/C22H29N3O/c1-25-13-15(22(26)24-16-6-3-2-4-7-16)10-18-17-8-5-9-19-21(17)14(12-23-19)11-20(18)25/h5,8-9,12,15-16,18,20,23H,2-4,6-7,10-11,13H2,1H3,(H,24,26)/t15-,18-,20-/m1/s1
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41.6n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM84937
PNG
(6-Methylergoline-8żżżż-carboxylic acid 4-methoxycy...)
Show SMILES COC1CCC(CC1)OC(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1 |wU:13.24,11.11,wD:14.28,(3.85,8.25,;3.08,6.91,;3.85,5.58,;5.39,5.58,;6.16,4.25,;5.39,2.91,;3.85,2.91,;3.08,4.25,;6.16,1.58,;5.39,.24,;3.85,.24,;6.16,-1.09,;6.16,-2.63,;7.49,-3.4,;8.83,-2.63,;10.16,-3.4,;10.16,-4.94,;11.31,-5.97,;10.68,-7.38,;9.15,-7.22,;8,-8.25,;6.54,-7.77,;6.22,-6.26,;7.49,-4.94,;8.83,-5.71,;8.83,-1.09,;10.16,-.32,;7.49,-.32,)|
Show InChI InChI=1S/C23H30N2O3/c1-25-13-15(23(26)28-17-8-6-16(27-2)7-9-17)10-19-18-4-3-5-20-22(18)14(12-24-20)11-21(19)25/h3-5,12,15-17,19,21,24H,6-11,13H2,1-2H3/t15-,16?,17?,19-,21-/m1/s1
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42n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM82516
PNG
(AMESERGIDE | CAS_121588-75-8 | NSC_60740)
Show SMILES CC(C)n1cc2CC3C(CC(CN3C)C(=O)NC3CCCCC3)c3cccc1c23
Show InChI InChI=1S/C25H35N3O/c1-16(2)28-15-17-13-23-21(20-10-7-11-22(28)24(17)20)12-18(14-27(23)3)25(29)26-19-8-5-4-6-9-19/h7,10-11,15-16,18-19,21,23H,4-6,8-9,12-14H2,1-3H3,(H,26,29)
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42.1n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Monkey)
BDBM50024204
PNG
(1H-imidazo[4,5-c]pyridine derivative | 2N-[4,7-dim...)
Show SMILES CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15+,17+/m0/s1
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44.9n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM81446
PNG
(CAS_60-79-7 | ERGONOVINE | NSC_104873)
Show SMILES CC(CO)NC(=O)C1CN(C)C2Cc3c[nH]c4cccc(C2=C1)c34 |c:22|
Show InChI InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)
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46.4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50024204
PNG
(1H-imidazo[4,5-c]pyridine derivative | 2N-[4,7-dim...)
Show SMILES CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15+,17+/m0/s1
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48.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(PIG)
BDBM50024204
PNG
(1H-imidazo[4,5-c]pyridine derivative | 2N-[4,7-dim...)
Show SMILES CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15+,17+/m0/s1
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54.2n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM84935
PNG
(LY 86057 | LY86057)
Show SMILES CC(O)C(C)OC(=O)C1CC2C(Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C20H26N2O3/c1-11(23)12(2)25-20(24)14-7-16-15-5-4-6-17-19(15)13(9-21-17)8-18(16)22(3)10-14/h4-6,9,11-12,14,16,18,21,23H,7-8,10H2,1-3H3
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55.9n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Monkey)
BDBM84939
PNG
(1,6-Dimethylergoline-8β-carboxylic acid 2-hydroxy...)
Show SMILES CC(O)C(C)OC(=O)[C@@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C21H28N2O3/c1-12(24)13(2)26-21(25)15-8-17-16-6-5-7-18-20(16)14(10-22(18)3)9-19(17)23(4)11-15/h5-7,10,12-13,15,17,19,24H,8-9,11H2,1-4H3/t12?,13?,15-,17-,19-/m1/s1
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56.8n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM84942
PNG
(CAS_108674-86-8 | NSC_60262 | Sergolexole)
Show SMILES COC1CCC(CC1)OC(=O)C1CC2C(Cc3cn(C(C)C)c4cccc2c34)N(C)C1 |(1.08,-14.15,;-.25,-13.38,;-.25,-11.84,;1.09,-11.07,;1.09,-9.53,;-.24,-8.76,;-1.58,-9.53,;-1.58,-11.07,;-.24,-7.22,;-1.58,-6.45,;-2.91,-7.22,;-1.57,-4.91,;-.24,-4.14,;-.24,-2.6,;-1.57,-1.83,;-1.57,-.29,;-.24,.48,;.32,2.08,;1.86,2.08,;2.75,3.34,;2.1,4.74,;4.28,3.2,;2.43,.48,;3.76,-.29,;3.76,-1.83,;2.43,-2.6,;1.09,-1.83,;1.09,-.29,;-2.9,-2.6,;-4.24,-1.83,;-2.91,-4.14,)|
Show InChI InChI=1S/C26H36N2O3/c1-16(2)28-15-17-13-24-22(21-6-5-7-23(28)25(17)21)12-18(14-27(24)3)26(29)31-20-10-8-19(30-4)9-11-20/h5-7,15-16,18-20,22,24H,8-14H2,1-4H3
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56.9n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(PIG)
BDBM84939
PNG
(1,6-Dimethylergoline-8β-carboxylic acid 2-hydroxy...)
Show SMILES CC(O)C(C)OC(=O)[C@@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C21H28N2O3/c1-12(24)13(2)26-21(25)15-8-17-16-6-5-7-18-20(16)14(10-22(18)3)9-19(17)23(4)11-15/h5-7,10,12-13,15,17,19,24H,8-9,11H2,1-4H3/t12?,13?,15-,17-,19-/m1/s1
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57.2n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM84931
PNG
(LY 225297 | LY-225297 | N-[(1R,2S)-2-Hydroxycyclop...)
Show SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@@H]1CCC[C@@H]1O
Show InChI InChI=1S/C21H27N3O2/c1-24-11-13(21(26)23-16-5-3-7-19(16)25)8-15-14-4-2-6-17-20(14)12(10-22-17)9-18(15)24/h2,4,6,10,13,15-16,18-19,22,25H,3,5,7-9,11H2,1H3,(H,23,26)/t13-,15-,16-,18-,19+/m1/s1
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64.4n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(PIG)
BDBM84938
PNG
((6aR)-7-Methyl-4-isobutyl-4,6,6ażżżż,7,8,9,10,10aż...)
Show SMILES CC(C)Cn1cc2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)OC(C)C(C)O)c3cccc1c23
Show InChI InChI=1S/C24H34N2O3/c1-14(2)11-26-13-17-10-22-20(19-7-6-8-21(26)23(17)19)9-18(12-25(22)5)24(28)29-16(4)15(3)27/h6-8,13-16,18,20,22,27H,9-12H2,1-5H3/t15?,16?,18-,20-,22-/m1/s1
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148n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Monkey)
BDBM84938
PNG
((6aR)-7-Methyl-4-isobutyl-4,6,6ażżżż,7,8,9,10,10aż...)
Show SMILES CC(C)Cn1cc2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)OC(C)C(C)O)c3cccc1c23
Show InChI InChI=1S/C24H34N2O3/c1-14(2)11-26-13-17-10-22-20(19-7-6-8-21(26)23(17)19)9-18(12-25(22)5)24(28)29-16(4)15(3)27/h6-8,13-16,18,20,22,27H,9-12H2,1-5H3/t15?,16?,18-,20-,22-/m1/s1
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153n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM84938
PNG
((6aR)-7-Methyl-4-isobutyl-4,6,6ażżżż,7,8,9,10,10aż...)
Show SMILES CC(C)Cn1cc2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)OC(C)C(C)O)c3cccc1c23
Show InChI InChI=1S/C24H34N2O3/c1-14(2)11-26-13-17-10-22-20(19-7-6-8-21(26)23(17)19)9-18(12-25(22)5)24(28)29-16(4)15(3)27/h6-8,13-16,18,20,22,27H,9-12H2,1-5H3/t15?,16?,18-,20-,22-/m1/s1
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242n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM84934
PNG
(N-dipropyltryptamine, 1-Isopropyl-5-hydroxy N | N-...)
Show SMILES CCCN(CCC)CCc1cn(C(C)C)c2ccc(O)cc12
Show InChI InChI=1S/C19H30N2O/c1-5-10-20(11-6-2)12-9-16-14-21(15(3)4)19-8-7-17(22)13-18(16)19/h7-8,13-15,22H,5-6,9-12H2,1-4H3
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281n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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656n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM84934
PNG
(N-dipropyltryptamine, 1-Isopropyl-5-hydroxy N | N-...)
Show SMILES CCCN(CCC)CCc1cn(C(C)C)c2ccc(O)cc12
Show InChI InChI=1S/C19H30N2O/c1-5-10-20(11-6-2)12-9-16-14-21(15(3)4)19-8-7-17(22)13-18(16)19/h7-8,13-15,22H,5-6,9-12H2,1-4H3
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919n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(PIG)
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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923n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
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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943n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM84934
PNG
(N-dipropyltryptamine, 1-Isopropyl-5-hydroxy N | N-...)
Show SMILES CCCN(CCC)CCc1cn(C(C)C)c2ccc(O)cc12
Show InChI InChI=1S/C19H30N2O/c1-5-10-20(11-6-2)12-9-16-14-21(15(3)4)19-8-7-17(22)13-18(16)19/h7-8,13-15,22H,5-6,9-12H2,1-4H3
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1.26E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50331288
PNG
(2-(5-bromo-1H-indol-3-yl)ethanamine | 5-Br-T | CHE...)
Show SMILES NCCc1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C10H11BrN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2
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1.52E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(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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2.96E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 265: 1272-9 (1993)


BindingDB Entry DOI: 10.7270/Q2833QJ4
More data for this
Ligand-Target Pair
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