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Compile Data Set for Download or QSAR

Found 51 hits of ec50 data for polymerid = 3737   
Target
(Institution)
LigandTarget
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 (5-HT) receptor


(Homo sapiens)
BDBM31034
PNG
(3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole...)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C14H16N2/c1-16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14/h2-6,10,15H,7-9H2,1H3
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n/an/an/an/a 6.78n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM30727
PNG
(2-(5-butyl-1H-indol-3-yl)ethanamine;hydrochloride ...)
Show SMILES CCCCc1ccc2[nH]cc(CCN)c2c1
Show InChI InChI=1S/C14H20N2/c1-2-3-4-11-5-6-14-13(9-11)12(7-8-15)10-16-14/h5-6,9-10,16H,2-4,7-8,15H2,1H3
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n/an/an/an/a 11.3n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31023
PNG
(3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole | CHE...)
Show SMILES C1CC(=CCN1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C13H14N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9,14-15H,6-8H2
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n/an/an/an/a 15.7n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31021
PNG
(3-(1-ethyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indo...)
Show SMILES CCN1CCC(=CC1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C15H18N2/c1-2-17-9-7-12(8-10-17)14-11-16-15-6-4-3-5-13(14)15/h3-7,11,16H,2,8-10H2,1H3
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n/an/an/an/a 23.9n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM30708
PNG
((6aR,9R)-4,7-dimethyl-N-[(1S)-1-methylolpropyl]-6,...)
Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34
Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1
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n/an/an/an/a 37.5n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31005
PNG
(2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...)
Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
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n/an/an/an/a 37.8n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM30703
PNG
(2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazoline...)
Show SMILES Cc1cc(cc(C)c1CC1=NCCN1)C(C)(C)C
Show InChI InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)
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n/an/an/an/a 87n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
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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n/an/an/an/a 92n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM30712
PNG
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
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n/an/an/an/a 99n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM30701
PNG
(2-(1H-indol-3-yl)-N-methyl-ethanamine | 2-(1H-indo...)
Show SMILES CNCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3
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n/an/an/an/a 105n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31016
PNG
(2-(3-piperidinyl)-1,3-benzothiazole | 2-(3-piperid...)
Show SMILES C1CNCC(C1)c1nc2ccccc2s1
Show InChI InChI=1S/C12H14N2S/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-2,5-6,9,13H,3-4,7-8H2
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n/an/an/an/a 186n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31030
PNG
(2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-ind...)
Show SMILES Cc1[nH]c2ccccc2c1C1=CCNCC1
Show InChI InChI=1S/C14H16N2/c1-10-14(11-6-8-15-9-7-11)12-4-2-3-5-13(12)16-10/h2-6,15-16H,7-9H2,1H3
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n/an/an/an/a 194n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31008
PNG
(MLS000036322 | N-[1-[3-(dimethylamino)propyl]-2-be...)
Show SMILES CN(C)CCCn1c(NC(=O)C2CCCCC2)nc2ccccc12
Show InChI InChI=1S/C19H28N4O/c1-22(2)13-8-14-23-17-12-7-6-11-16(17)20-19(23)21-18(24)15-9-4-3-5-10-15/h6-7,11-12,15H,3-5,8-10,13-14H2,1-2H3,(H,20,21,24)
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n/an/an/an/a 469n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM30853
PNG
(2-(5-fluoranyl-1H-indol-3-yl)ethanamine;hydrochlor...)
Show SMILES NCCc1c[nH]c2ccc(F)cc12
Show InChI InChI=1S/C10H11FN2/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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n/an/an/an/a 484n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31006
PNG
(1-(phenylmethyl)-3-indolecarboxylic acid 2-(dimeth...)
Show SMILES CN(C)CCOC(=O)c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C20H22N2O2/c1-21(2)12-13-24-20(23)18-15-22(14-16-8-4-3-5-9-16)19-11-7-6-10-17(18)19/h3-11,15H,12-14H2,1-2H3
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n/an/an/an/a 493n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31026
PNG
(2-(7-chloranyl-2-methyl-1H-indol-3-yl)ethanamine |...)
Show SMILES Cc1[nH]c2c(Cl)cccc2c1CCN
Show InChI InChI=1S/C11H13ClN2/c1-7-8(5-6-13)9-3-2-4-10(12)11(9)14-7/h2-4,14H,5-6,13H2,1H3
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n/an/an/an/a 677n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM30925
PNG
(2-({[2-(1H-indol-3-yl)ethyl]amino}carbonyl)cyclohe...)
Show SMILES OC(=O)C1CCCCC1C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C18H22N2O3/c21-17(14-6-1-2-7-15(14)18(22)23)19-10-9-12-11-20-16-8-4-3-5-13(12)16/h3-5,8,11,14-15,20H,1-2,6-7,9-10H2,(H,19,21)(H,22,23)
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n/an/an/an/a 765n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31024
PNG
(2-[2-methyl-7-(trifluoromethyl)-1H-indol-3-yl]etha...)
Show SMILES Cc1[nH]c2c(cccc2c1CCN)C(F)(F)F
Show InChI InChI=1S/C12H13F3N2/c1-7-8(5-6-16)9-3-2-4-10(11(9)17-7)12(13,14)15/h2-4,17H,5-6,16H2,1H3
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n/an/an/an/a 817n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31036
PNG
(2-[(4-phenyl-1-piperazinyl)methyl]imidazo[1,2-a]py...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1cn2cccnc2n1
Show InChI InChI=1S/C17H19N5/c1-2-5-16(6-3-1)21-11-9-20(10-12-21)13-15-14-22-8-4-7-18-17(22)19-15/h1-8,14H,9-13H2
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n/an/an/an/a 1.07E+3n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31001
PNG
((4-Amino-furazan-3-yl)-(4-methyl-piperazin-1-yl)-m...)
Show SMILES CN1CCN(CC1)C(N=O)c1nonc1N
Show InChI InChI=1S/C8H14N6O2/c1-13-2-4-14(5-3-13)8(10-15)6-7(9)12-16-11-6/h8H,2-5H2,1H3,(H2,9,12)
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n/an/an/an/a 1.17E+3n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM30811
PNG
(1-methyl-3-phenyl-2,5,6,7,8,9-hexahydroimidaz[1,2-...)
Show SMILES CN1CC(O)(c2ccccc2)[N+]2=C1CCCCC2
Show InChI InChI=1S/C15H21N2O/c1-16-12-15(18,13-8-4-2-5-9-13)17-11-7-3-6-10-14(16)17/h2,4-5,8-9,18H,3,6-7,10-12H2,1H3/q+1
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n/an/an/an/a 1.33E+3n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31007
PNG
(1-(diethylamino)-7-methyl-3-(4-morpholinyl)-6,8-di...)
Show SMILES CCN(CC)c1nc(N2CCOCC2)c(C#N)c2CCN(C)Cc12
Show InChI InChI=1S/C18H27N5O/c1-4-22(5-2)18-16-13-21(3)7-6-14(16)15(12-19)17(20-18)23-8-10-24-11-9-23/h4-11,13H2,1-3H3
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n/an/an/an/a 1.75E+3n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31027
PNG
(1-[[5-[[butyl(ethyl)amino]methyl]-2-furanyl]methyl...)
Show SMILES CCCCN(CC)Cc1ccc(CNC(=O)Nc2ccc(OC)cc2OC)o1
Show InChI InChI=1S/C21H31N3O4/c1-5-7-12-24(6-2)15-18-9-8-17(28-18)14-22-21(25)23-19-11-10-16(26-3)13-20(19)27-4/h8-11,13H,5-7,12,14-15H2,1-4H3,(H2,22,23,25)
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n/an/an/an/a 1.83E+3n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31015
PNG
(1,5-dimethyl-2-phenyl-4-[[4-[3-(trifluoromethyl)ph...)
Show SMILES Cc1c(CN2CCN(CC2)c2cccc(c2)C(F)(F)F)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C23H25F3N4O/c1-17-21(22(31)30(27(17)2)19-8-4-3-5-9-19)16-28-11-13-29(14-12-28)20-10-6-7-18(15-20)23(24,25)26/h3-10,15H,11-14,16H2,1-2H3
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n/an/an/an/a 1.84E+3n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31019
PNG
(MLS000093991 | N-[2-[4-(2,3-dimethylphenyl)-1-pipe...)
Show SMILES CCc1nn(C(C)C(=O)NCCN2CCN(CC2)c2cccc(C)c2C)c(=O)c2cc3occc3n12
Show InChI InChI=1S/C27H34N6O3/c1-5-25-29-33(27(35)23-17-24-22(32(23)25)9-16-36-24)20(4)26(34)28-10-11-30-12-14-31(15-13-30)21-8-6-7-18(2)19(21)3/h6-9,16-17,20H,5,10-15H2,1-4H3,(H,28,34)
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n/an/an/an/a 2.32E+3n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31025
PNG
(MLS000086722 | N-[3-[butyl(methyl)amino]propyl]-2-...)
Show SMILES CCCCN(C)CCCNC(=O)Cn1c2ccccc2sc1=O
Show InChI InChI=1S/C17H25N3O2S/c1-3-4-11-19(2)12-7-10-18-16(21)13-20-14-8-5-6-9-15(14)23-17(20)22/h5-6,8-9H,3-4,7,10-13H2,1-2H3,(H,18,21)
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n/an/an/an/a 3.50E+3n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM30911
PNG
(7-(2-furoyloxy)-2-keto-chromene-3-carboxylic acid ...)
Show SMILES CCOC(=O)c1cc2ccc(OC(=O)c3ccco3)cc2oc1=O
Show InChI InChI=1S/C17H12O7/c1-2-21-15(18)12-8-10-5-6-11(9-14(10)24-16(12)19)23-17(20)13-4-3-7-22-13/h3-9H,2H2,1H3
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n/an/an/an/a 7.50E+3n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31004
PNG
(MLS000030962 | N-Cyclopentylcarbamoylmethyl-N-(3,4...)
Show SMILES COc1ccc(cc1OC)N(CC(=O)NC1CCCC1)C(=O)Cn1nnc(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C25H30N6O4/c1-17-8-10-18(11-9-17)25-27-29-31(28-25)16-24(33)30(15-23(32)26-19-6-4-5-7-19)20-12-13-21(34-2)22(14-20)35-3/h8-14,19H,4-7,15-16H2,1-3H3,(H,26,32)
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n/an/an/an/a 5.00E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31003
PNG
(3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-...)
Show SMILES Cc1cccc(NC(=O)C2CCCN(C2)C(=O)Nc2ccccc2)c1C
Show InChI InChI=1S/C21H25N3O2/c1-15-8-6-12-19(16(15)2)23-20(25)17-9-7-13-24(14-17)21(26)22-18-10-4-3-5-11-18/h3-6,8,10-12,17H,7,9,13-14H2,1-2H3,(H,22,26)(H,23,25)
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n/an/an/an/a 5.00E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31002
PNG
(2-(1-Methyl-5-phenyl-1H-imidazol-2-ylsulfanylmethy...)
Show SMILES Cn1c(SCc2nc3ccccc3c(=O)[nH]2)ncc1-c1ccccc1
Show InChI InChI=1S/C19H16N4OS/c1-23-16(13-7-3-2-4-8-13)11-20-19(23)25-12-17-21-15-10-6-5-9-14(15)18(24)22-17/h2-11H,12H2,1H3,(H,21,22,24)
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n/an/an/an/a 5.00E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31000
PNG
(1-(phenylmethyl)-3-(1-pyrrolidin-1-ylcarbonylcyclo...)
Show SMILES O=C(NCc1ccccc1)NC1(CCCCC1)C(=O)N1CCCC1
Show InChI InChI=1S/C19H27N3O2/c23-17(22-13-7-8-14-22)19(11-5-2-6-12-19)21-18(24)20-15-16-9-3-1-4-10-16/h1,3-4,9-10H,2,5-8,11-15H2,(H2,20,21,24)
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n/an/an/an/a 5.00E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM30999
PNG
(MLS000031858 | N-(4-Ethyl-phenyl)-2-(2-methylsulfa...)
Show SMILES CCc1ccc(NC(=O)Cn2c(SC)nc3ccccc23)cc1
Show InChI InChI=1S/C18H19N3OS/c1-3-13-8-10-14(11-9-13)19-17(22)12-21-16-7-5-4-6-15(16)20-18(21)23-2/h4-11H,3,12H2,1-2H3,(H,19,22)
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n/an/an/an/a 5.00E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31033
PNG
(1-(3-chlorophenyl)sulfonylpyrrolidine | 1-[(3-chlo...)
Show SMILES Clc1cccc(c1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C10H12ClNO2S/c11-9-4-3-5-10(8-9)15(13,14)12-6-1-2-7-12/h3-5,8H,1-2,6-7H2
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n/an/an/an/a 5.00E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31032
PNG
(1-(1-methyl-1H-indol-3-yl)-2-phenylethanone oxime ...)
Show SMILES Cn1cc(C(Cc2ccccc2)N=O)c2ccccc12
Show InChI InChI=1S/C17H16N2O/c1-19-12-15(14-9-5-6-10-17(14)19)16(18-20)11-13-7-3-2-4-8-13/h2-10,12,16H,11H2,1H3
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n/an/an/an/a 5.00E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31031
PNG
(1-[[2-(2-furoylamino)-4,5-dimethyl-3-thienyl]-(3-p...)
Show SMILES CCOC(=O)C1CCN(CC1)C(c1c(C)c(C)sc1NC(=O)c1ccco1)c1cccnc1
Show InChI InChI=1S/C25H29N3O4S/c1-4-31-25(30)18-9-12-28(13-10-18)22(19-7-5-11-26-15-19)21-16(2)17(3)33-24(21)27-23(29)20-8-6-14-32-20/h5-8,11,14-15,18,22H,4,9-10,12-13H2,1-3H3,(H,27,29)
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n/an/an/an/a 5.00E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31029
PNG
(4-methyl-2-phenyl-6-propionamido-pyrimidine-5-carb...)
Show SMILES CCOC(=O)c1c(C)nc(nc1NC(=O)CC)-c1ccccc1
Show InChI InChI=1S/C17H19N3O3/c1-4-13(21)19-16-14(17(22)23-5-2)11(3)18-15(20-16)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3,(H,18,19,20,21)
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n/an/an/an/a 5.00E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31028
PNG
(3-[2-(4-carbethoxypiperidino)-2-keto-ethyl]-1-meth...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)Cc1c(C(O)=O)n(C)c2ccccc12
Show InChI InChI=1S/C20H24N2O5/c1-3-27-20(26)13-8-10-22(11-9-13)17(23)12-15-14-6-4-5-7-16(14)21(2)18(15)19(24)25/h4-7,13H,3,8-12H2,1-2H3,(H,24,25)
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n/an/an/an/a 5.00E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31039
PNG
(2,6-dimethyl-4-(1-phenyl-1,2,3,4-tetrazol-5-yl)mor...)
Show SMILES CC1CN(CC(C)O1)c1nnnn1-c1ccccc1
Show InChI InChI=1S/C13H17N5O/c1-10-8-17(9-11(2)19-10)13-14-15-16-18(13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
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n/an/an/an/a 5.00E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31038
PNG
(4-[[4-(2,3-dimethylphenyl)-1-piperazinyl]methyl]-2...)
Show SMILES COc1cc(CN2CCN(CC2)c2cccc(C)c2C)cc(OC)c1O
Show InChI InChI=1S/C21H28N2O3/c1-15-6-5-7-18(16(15)2)23-10-8-22(9-11-23)14-17-12-19(25-3)21(24)20(13-17)26-4/h5-7,12-13,24H,8-11,14H2,1-4H3
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n/an/an/an/a 5.00E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31022
PNG
(3-[(3,5-dimethoxybenzoyl)amino]coumarilic acid eth...)
Show SMILES CCOC(=O)c1oc2ccccc2c1NC(=O)c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C20H19NO6/c1-4-26-20(23)18-17(15-7-5-6-8-16(15)27-18)21-19(22)12-9-13(24-2)11-14(10-12)25-3/h5-11H,4H2,1-3H3,(H,21,22)
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n/an/an/an/a 5.00E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31020
PNG
(5-chloranyl-3-[2-[4-(2,3-dimethylphenyl)piperazin-...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)Cc2c([nH]c3ccc(Cl)cc23)C(O)=O)c1C
Show InChI InChI=1S/C23H24ClN3O3/c1-14-4-3-5-20(15(14)2)26-8-10-27(11-9-26)21(28)13-18-17-12-16(24)6-7-19(17)25-22(18)23(29)30/h3-7,12,25H,8-11,13H2,1-2H3,(H,29,30)
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n/an/an/an/a 5.00E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31018
PNG
(2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4-phenylb...)
Show SMILES CC(CCc1ccccc1)NC(=O)CSc1nc(N)cc(N)n1
Show InChI InChI=1S/C16H21N5OS/c1-11(7-8-12-5-3-2-4-6-12)19-15(22)10-23-16-20-13(17)9-14(18)21-16/h2-6,9,11H,7-8,10H2,1H3,(H,19,22)(H4,17,18,20,21)
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n/an/an/an/a 5.00E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31017
PNG
(MLS000056121 | N-(2-methylsulfanyl-1,3-benzothiazo...)
Show SMILES CSc1nc2ccc(NC(=O)C3CCCO3)cc2s1
Show InChI InChI=1S/C13H14N2O2S2/c1-18-13-15-9-5-4-8(7-11(9)19-13)14-12(16)10-3-2-6-17-10/h4-5,7,10H,2-3,6H2,1H3,(H,14,16)
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n/an/an/an/a 5.00E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31014
PNG
(MLS000081936 | N-[4-[(4-hydroxyphenyl)-methyl-sulf...)
Show SMILES CN(c1ccc(O)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C15H16N2O4S/c1-11(18)16-12-3-9-15(10-4-12)22(20,21)17(2)13-5-7-14(19)8-6-13/h3-10,19H,1-2H3,(H,16,18)
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n/an/an/an/a 5.00E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31013
PNG
(4-[(3,5-dimethyl-4-isoxazolyl)methoxy]benzoic acid...)
Show SMILES CC(OC(=O)c1ccc(OCc2c(C)noc2C)cc1)C(=O)Nc1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C26H29N3O6/c1-17-24(18(2)35-28-17)16-33-23-10-4-20(5-11-23)26(31)34-19(3)25(30)27-21-6-8-22(9-7-21)29-12-14-32-15-13-29/h4-11,19H,12-16H2,1-3H3,(H,27,30)
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n/an/an/an/a 5.00E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31012
PNG
(MLS000054858 | N-(3-imidazo[2,1-b][1,3]thiazol-6-y...)
Show SMILES O=C(Nc1cccc(c1)-c1cn2ccsc2n1)c1ccccc1
Show InChI InChI=1S/C18H13N3OS/c22-17(13-5-2-1-3-6-13)19-15-8-4-7-14(11-15)16-12-21-9-10-23-18(21)20-16/h1-12H,(H,19,22)
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n/an/an/an/a 5.00E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31011
PNG
(3-cyclopentylpropanoic acid [2-[(5-chloro-2-pyridi...)
Show SMILES Clc1ccc(NC(=O)COC(=O)CCC2CCCC2)nc1
Show InChI InChI=1S/C15H19ClN2O3/c16-12-6-7-13(17-9-12)18-14(19)10-21-15(20)8-5-11-3-1-2-4-11/h6-7,9,11H,1-5,8,10H2,(H,17,18,19)
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n/an/an/an/a 5.00E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31010
PNG
(4-[4-amino-6-(3,4-dimethylanilino)-1,3,5-triazin-2...)
Show SMILES COC(=O)CC(=O)Cc1nc(N)nc(Nc2ccc(C)c(C)c2)n1
Show InChI InChI=1S/C16H19N5O3/c1-9-4-5-11(6-10(9)2)18-16-20-13(19-15(17)21-16)7-12(22)8-14(23)24-3/h4-6H,7-8H2,1-3H3,(H3,17,18,19,20,21)
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n/an/an/an/a 5.00E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31009
PNG
(1-[3-[1-cyano-2-(cyclohexylamino)-2-keto-ethyl]qui...)
Show SMILES NC(=O)C1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)NC1CCCCC1
Show InChI InChI=1S/C23H28N6O2/c24-14-17(23(31)26-16-6-2-1-3-7-16)20-22(28-19-9-5-4-8-18(19)27-20)29-12-10-15(11-13-29)21(25)30/h4-5,8-9,15-17H,1-3,6-7,10-13H2,(H2,25,30)(H,26,31)
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n/an/an/an/a 5.00E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31037
PNG
(1-(2,4-dimethoxybenzyl)-4-(2-fluorophenyl)piperazi...)
Show SMILES COc1ccc(CN2CCN(CC2)c2ccccc2F)c(OC)c1
Show InChI InChI=1S/C19H23FN2O2/c1-23-16-8-7-15(19(13-16)24-2)14-21-9-11-22(12-10-21)18-6-4-3-5-17(18)20/h3-8,13H,9-12,14H2,1-2H3
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n/an/an/an/a 5.00E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
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