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Compile Data Set for Download or QSAR

Found 25 hits with Last Name = 'baez' and Initial = 'mb'   
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


(Homo sapiens (Human))
BDBM85002
PNG
(LY 314228)
Show SMILES [#6]-[#6]-[#6]-c1c(-[#6]-[#8]-c2ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc2)ccc(-[#6](-[#6])=O)c1-[#8] |w:11.10|
Show InChI InChI=1S/C20H24N4O3/c1-3-4-18-15(7-10-17(13(2)25)19(18)26)12-27-16-8-5-14(6-9-16)11-23-24-20(21)22/h5-11,26H,3-4,12H2,1-2H3,(H4,21,22,24)
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65n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




Life Sci 59: 1259-68 (1996)


Article DOI: 10.1016/0024-3205(96)00449-3
BindingDB Entry DOI: 10.7270/Q2VQ3179
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM85006
PNG
(LY 334362)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cccc(-[#8]-[#6]-c2ccc(cc2)-[#6](=O)-c2ccccc2)c1 |w:5.5|
Show InChI InChI=1S/C22H20N4O2/c23-22(24)26-25-14-17-5-4-8-20(13-17)28-15-16-9-11-19(12-10-16)21(27)18-6-2-1-3-7-18/h1-14H,15H2,(H4,23,24,26)
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91n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




Life Sci 59: 1259-68 (1996)


Article DOI: 10.1016/0024-3205(96)00449-3
BindingDB Entry DOI: 10.7270/Q2VQ3179
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM85007
PNG
(LY 320954)
Show SMILES [#6]-[#6]-[#6]-c1c(-[#6]-[#8]-c2ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc2)ccc(-[#6](=O)-[#6]-[#6])c1-[#8] |w:11.10|
Show InChI InChI=1S/C21H26N4O3/c1-3-5-17-15(8-11-18(20(17)27)19(26)4-2)13-28-16-9-6-14(7-10-16)12-24-25-21(22)23/h6-12,27H,3-5,13H2,1-2H3,(H4,22,23,25)
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96n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




Life Sci 59: 1259-68 (1996)


Article DOI: 10.1016/0024-3205(96)00449-3
BindingDB Entry DOI: 10.7270/Q2VQ3179
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM85000
PNG
(LY 063518)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6](-[#6]-1-[#6]-[#6]-[#6](Cl)-[#16]-1)-c1ccccc1 |w:4.3|
Show InChI InChI=1S/C12H15ClN4S/c13-10-7-6-9(18-10)11(16-17-12(14)15)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H4,14,15,17)
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137n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




Life Sci 59: 1259-68 (1996)


Article DOI: 10.1016/0024-3205(96)00449-3
BindingDB Entry DOI: 10.7270/Q2VQ3179
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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161n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




Life Sci 59: 1259-68 (1996)


Article DOI: 10.1016/0024-3205(96)00449-3
BindingDB Entry DOI: 10.7270/Q2VQ3179
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM85002
PNG
(LY 314228)
Show SMILES [#6]-[#6]-[#6]-c1c(-[#6]-[#8]-c2ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc2)ccc(-[#6](-[#6])=O)c1-[#8] |w:11.10|
Show InChI InChI=1S/C20H24N4O3/c1-3-4-18-15(7-10-17(13(2)25)19(18)26)12-27-16-8-5-14(6-9-16)11-23-24-20(21)22/h5-11,26H,3-4,12H2,1-2H3,(H4,21,22,24)
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168n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




Life Sci 59: 1259-68 (1996)


Article DOI: 10.1016/0024-3205(96)00449-3
BindingDB Entry DOI: 10.7270/Q2VQ3179
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM85006
PNG
(LY 334362)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cccc(-[#8]-[#6]-c2ccc(cc2)-[#6](=O)-c2ccccc2)c1 |w:5.5|
Show InChI InChI=1S/C22H20N4O2/c23-22(24)26-25-14-17-5-4-8-20(13-17)28-15-16-9-11-19(12-10-16)21(27)18-6-2-1-3-7-18/h1-14H,15H2,(H4,23,24,26)
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179n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




Life Sci 59: 1259-68 (1996)


Article DOI: 10.1016/0024-3205(96)00449-3
BindingDB Entry DOI: 10.7270/Q2VQ3179
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM85004
PNG
(LY 320950)
Show SMILES [#6]-[#6]-[#6]-c1c(-[#6]-[#8]-c2ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c(-[#8]-[#6])c2)ccc(-[#6](=O)-[#6]-[#6])c1-[#8] |w:11.10|
Show InChI InChI=1S/C22H28N4O4/c1-4-6-17-15(8-10-18(21(17)28)19(27)5-2)13-30-16-9-7-14(20(11-16)29-3)12-25-26-22(23)24/h7-12,28H,4-6,13H2,1-3H3,(H4,23,24,26)
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188n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




Life Sci 59: 1259-68 (1996)


Article DOI: 10.1016/0024-3205(96)00449-3
BindingDB Entry DOI: 10.7270/Q2VQ3179
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM85004
PNG
(LY 320950)
Show SMILES [#6]-[#6]-[#6]-c1c(-[#6]-[#8]-c2ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c(-[#8]-[#6])c2)ccc(-[#6](=O)-[#6]-[#6])c1-[#8] |w:11.10|
Show InChI InChI=1S/C22H28N4O4/c1-4-6-17-15(8-10-18(21(17)28)19(27)5-2)13-30-16-9-7-14(20(11-16)29-3)12-25-26-22(23)24/h7-12,28H,4-6,13H2,1-3H3,(H4,23,24,26)
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248n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




Life Sci 59: 1259-68 (1996)


Article DOI: 10.1016/0024-3205(96)00449-3
BindingDB Entry DOI: 10.7270/Q2VQ3179
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM85007
PNG
(LY 320954)
Show SMILES [#6]-[#6]-[#6]-c1c(-[#6]-[#8]-c2ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc2)ccc(-[#6](=O)-[#6]-[#6])c1-[#8] |w:11.10|
Show InChI InChI=1S/C21H26N4O3/c1-3-5-17-15(8-11-18(20(17)27)19(26)4-2)13-28-16-9-6-14(7-10-16)12-24-25-21(22)23/h6-12,27H,3-5,13H2,1-2H3,(H4,22,23,25)
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257n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




Life Sci 59: 1259-68 (1996)


Article DOI: 10.1016/0024-3205(96)00449-3
BindingDB Entry DOI: 10.7270/Q2VQ3179
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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372n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




Life Sci 59: 1259-68 (1996)


Article DOI: 10.1016/0024-3205(96)00449-3
BindingDB Entry DOI: 10.7270/Q2VQ3179
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM85003
PNG
(LY 334359)
Show SMILES [#6]-c1ccc(-[#6])c(-[#6]-[#8]-c2ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc2)c1 |w:13.12|
Show InChI InChI=1S/C17H20N4O/c1-12-3-4-13(2)15(9-12)11-22-16-7-5-14(6-8-16)10-20-21-17(18)19/h3-10H,11H2,1-2H3,(H4,18,19,21)
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388n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




Life Sci 59: 1259-68 (1996)


Article DOI: 10.1016/0024-3205(96)00449-3
BindingDB Entry DOI: 10.7270/Q2VQ3179
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM85003
PNG
(LY 334359)
Show SMILES [#6]-c1ccc(-[#6])c(-[#6]-[#8]-c2ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc2)c1 |w:13.12|
Show InChI InChI=1S/C17H20N4O/c1-12-3-4-13(2)15(9-12)11-22-16-7-5-14(6-8-16)10-20-21-17(18)19/h3-10H,11H2,1-2H3,(H4,18,19,21)
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401n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




Life Sci 59: 1259-68 (1996)


Article DOI: 10.1016/0024-3205(96)00449-3
BindingDB Entry DOI: 10.7270/Q2VQ3179
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM85004
PNG
(LY 320950)
Show SMILES [#6]-[#6]-[#6]-c1c(-[#6]-[#8]-c2ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c(-[#8]-[#6])c2)ccc(-[#6](=O)-[#6]-[#6])c1-[#8] |w:11.10|
Show InChI InChI=1S/C22H28N4O4/c1-4-6-17-15(8-10-18(21(17)28)19(27)5-2)13-30-16-9-7-14(20(11-16)29-3)12-25-26-22(23)24/h7-12,28H,4-6,13H2,1-3H3,(H4,23,24,26)
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465n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




Life Sci 59: 1259-68 (1996)


Article DOI: 10.1016/0024-3205(96)00449-3
BindingDB Entry DOI: 10.7270/Q2VQ3179
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM85000
PNG
(LY 063518)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6](-[#6]-1-[#6]-[#6]-[#6](Cl)-[#16]-1)-c1ccccc1 |w:4.3|
Show InChI InChI=1S/C12H15ClN4S/c13-10-7-6-9(18-10)11(16-17-12(14)15)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H4,14,15,17)
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472n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




Life Sci 59: 1259-68 (1996)


Article DOI: 10.1016/0024-3205(96)00449-3
BindingDB Entry DOI: 10.7270/Q2VQ3179
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM85006
PNG
(LY 334362)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cccc(-[#8]-[#6]-c2ccc(cc2)-[#6](=O)-c2ccccc2)c1 |w:5.5|
Show InChI InChI=1S/C22H20N4O2/c23-22(24)26-25-14-17-5-4-8-20(13-17)28-15-16-9-11-19(12-10-16)21(27)18-6-2-1-3-7-18/h1-14H,15H2,(H4,23,24,26)
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477n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




Life Sci 59: 1259-68 (1996)


Article DOI: 10.1016/0024-3205(96)00449-3
BindingDB Entry DOI: 10.7270/Q2VQ3179
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM85003
PNG
(LY 334359)
Show SMILES [#6]-c1ccc(-[#6])c(-[#6]-[#8]-c2ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc2)c1 |w:13.12|
Show InChI InChI=1S/C17H20N4O/c1-12-3-4-13(2)15(9-12)11-22-16-7-5-14(6-8-16)10-20-21-17(18)19/h3-10H,11H2,1-2H3,(H4,18,19,21)
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569n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




Life Sci 59: 1259-68 (1996)


Article DOI: 10.1016/0024-3205(96)00449-3
BindingDB Entry DOI: 10.7270/Q2VQ3179
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM85001
PNG
(LY 320951)
Show SMILES [#6]-[#6]-[#6]-c1cc(ccc1-[#8]-c1cccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c1)C([#6])([#6])[#6] |w:15.15|
Show InChI InChI=1S/C21H28N4O/c1-5-7-16-13-17(21(2,3)4)10-11-19(16)26-18-9-6-8-15(12-18)14-24-25-20(22)23/h6,8-14H,5,7H2,1-4H3,(H4,22,23,25)
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839n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




Life Sci 59: 1259-68 (1996)


Article DOI: 10.1016/0024-3205(96)00449-3
BindingDB Entry DOI: 10.7270/Q2VQ3179
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM85001
PNG
(LY 320951)
Show SMILES [#6]-[#6]-[#6]-c1cc(ccc1-[#8]-c1cccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c1)C([#6])([#6])[#6] |w:15.15|
Show InChI InChI=1S/C21H28N4O/c1-5-7-16-13-17(21(2,3)4)10-11-19(16)26-18-9-6-8-15(12-18)14-24-25-20(22)23/h6,8-14H,5,7H2,1-4H3,(H4,22,23,25)
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1.19E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




Life Sci 59: 1259-68 (1996)


Article DOI: 10.1016/0024-3205(96)00449-3
BindingDB Entry DOI: 10.7270/Q2VQ3179
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM85002
PNG
(LY 314228)
Show SMILES [#6]-[#6]-[#6]-c1c(-[#6]-[#8]-c2ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc2)ccc(-[#6](-[#6])=O)c1-[#8] |w:11.10|
Show InChI InChI=1S/C20H24N4O3/c1-3-4-18-15(7-10-17(13(2)25)19(18)26)12-27-16-8-5-14(6-9-16)11-23-24-20(21)22/h5-11,26H,3-4,12H2,1-2H3,(H4,21,22,24)
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1.21E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




Life Sci 59: 1259-68 (1996)


Article DOI: 10.1016/0024-3205(96)00449-3
BindingDB Entry DOI: 10.7270/Q2VQ3179
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM85007
PNG
(LY 320954)
Show SMILES [#6]-[#6]-[#6]-c1c(-[#6]-[#8]-c2ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc2)ccc(-[#6](=O)-[#6]-[#6])c1-[#8] |w:11.10|
Show InChI InChI=1S/C21H26N4O3/c1-3-5-17-15(8-11-18(20(17)27)19(26)4-2)13-28-16-9-6-14(7-10-16)12-24-25-21(22)23/h6-12,27H,3-5,13H2,1-2H3,(H4,22,23,25)
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Similars

Article
PubMed
1.64E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




Life Sci 59: 1259-68 (1996)


Article DOI: 10.1016/0024-3205(96)00449-3
BindingDB Entry DOI: 10.7270/Q2VQ3179
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM85000
PNG
(LY 063518)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6](-[#6]-1-[#6]-[#6]-[#6](Cl)-[#16]-1)-c1ccccc1 |w:4.3|
Show InChI InChI=1S/C12H15ClN4S/c13-10-7-6-9(18-10)11(16-17-12(14)15)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H4,14,15,17)
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1.66E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




Life Sci 59: 1259-68 (1996)


Article DOI: 10.1016/0024-3205(96)00449-3
BindingDB Entry DOI: 10.7270/Q2VQ3179
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM85001
PNG
(LY 320951)
Show SMILES [#6]-[#6]-[#6]-c1cc(ccc1-[#8]-c1cccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])c1)C([#6])([#6])[#6] |w:15.15|
Show InChI InChI=1S/C21H28N4O/c1-5-7-16-13-17(21(2,3)4)10-11-19(16)26-18-9-6-8-15(12-18)14-24-25-20(22)23/h6,8-14H,5,7H2,1-4H3,(H4,22,23,25)
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2.93E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




Life Sci 59: 1259-68 (1996)


Article DOI: 10.1016/0024-3205(96)00449-3
BindingDB Entry DOI: 10.7270/Q2VQ3179
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM85005
PNG
(LY 335102)
Show SMILES CCc1c(O)c(ccc1COc1ccc(C=O)cc1)C(C)=O
Show InChI InChI=1S/C18H18O4/c1-3-16-14(6-9-17(12(2)20)18(16)21)11-22-15-7-4-13(10-19)5-8-15/h4-10,21H,3,11H2,1-2H3
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7.91E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




Life Sci 59: 1259-68 (1996)


Article DOI: 10.1016/0024-3205(96)00449-3
BindingDB Entry DOI: 10.7270/Q2VQ3179
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM85005
PNG
(LY 335102)
Show SMILES CCc1c(O)c(ccc1COc1ccc(C=O)cc1)C(C)=O
Show InChI InChI=1S/C18H18O4/c1-3-16-14(6-9-17(12(2)20)18(16)21)11-22-15-7-4-13(10-19)5-8-15/h4-10,21H,3,11H2,1-2H3
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9.73E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




Life Sci 59: 1259-68 (1996)


Article DOI: 10.1016/0024-3205(96)00449-3
BindingDB Entry DOI: 10.7270/Q2VQ3179
More data for this
Ligand-Target Pair