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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for assayid = 5 entry = 50030986   
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 2C


(Homo sapiens (Human))
BDBM50304805
PNG
((S)-7-(2-chlorophenoxy)-2-(piperazin-1-yl)-6,7-dih...)
Show SMILES Clc1ccccc1O[C@H]1CCc2ccc(nc12)N1CCNCC1 |r|
Show InChI InChI=1S/C18H20ClN3O/c19-14-3-1-2-4-15(14)23-16-7-5-13-6-8-17(21-18(13)16)22-11-9-20-10-12-22/h1-4,6,8,16,20H,5,7,9-12H2/t16-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304804
PNG
(7-(2-chlorophenoxy)-2-(piperazin-1-yl)-6,7-dihydro...)
Show SMILES Clc1ccccc1OC1CCc2ccc(nc12)N1CCNCC1
Show InChI InChI=1S/C18H20ClN3O/c19-14-3-1-2-4-15(14)23-16-7-5-13-6-8-17(21-18(13)16)22-11-9-20-10-12-22/h1-4,6,8,16,20H,5,7,9-12H2
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0.900n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304808
PNG
(4-chloro-2-(piperazin-1-yl)thieno[2,3-d]pyrimidine...)
Show SMILES Clc1nc(nc2sccc12)N1CCNCC1
Show InChI InChI=1S/C10H11ClN4S/c11-8-7-1-6-16-9(7)14-10(13-8)15-4-2-12-3-5-15/h1,6,12H,2-5H2
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1n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304802
PNG
((S)-8-(2-chlorophenoxy)-2-(piperazin-1-yl)-5,6,7,8...)
Show SMILES Clc1ccccc1O[C@H]1CCCc2ccc(nc12)N1CCNCC1 |r|
Show InChI InChI=1S/C19H22ClN3O/c20-15-5-1-2-6-16(15)24-17-7-3-4-14-8-9-18(22-19(14)17)23-12-10-21-11-13-23/h1-2,5-6,8-9,17,21H,3-4,7,10-13H2/t17-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304807
PNG
((S)-7-(5-fluoro-2-methylbenzyloxy)-2-((R)-2-methyl...)
Show SMILES C[C@@H]1CNCCN1c1ccc2CC[C@H](OCc3cc(F)ccc3C)c2n1 |r|
Show InChI InChI=1S/C21H26FN3O/c1-14-3-6-18(22)11-17(14)13-26-19-7-4-16-5-8-20(24-21(16)19)25-10-9-23-12-15(25)2/h3,5-6,8,11,15,19,23H,4,7,9-10,12-13H2,1-2H3/t15-,19+/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304809
PNG
(4-(3-chlorobenzyloxy)-2-(piperazin-1-yl)thieno[2,3...)
Show SMILES Clc1cccc(COc2nc(nc3sccc23)N2CCNCC2)c1
Show InChI InChI=1S/C17H17ClN4OS/c18-13-3-1-2-12(10-13)11-23-15-14-4-9-24-16(14)21-17(20-15)22-7-5-19-6-8-22/h1-4,9-10,19H,5-8,11H2
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4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304801
PNG
((S)-7-(2,5-difluorobenzyloxy)-2-((R)-2-methylpiper...)
Show SMILES C[C@@H]1CNCCN1c1ccc2CC[C@H](OCc3cc(F)ccc3F)c2n1 |r|
Show InChI InChI=1S/C20H23F2N3O/c1-13-11-23-8-9-25(13)19-7-3-14-2-6-18(20(14)24-19)26-12-15-10-16(21)4-5-17(15)22/h3-5,7,10,13,18,23H,2,6,8-9,11-12H2,1H3/t13-,18+/m1/s1
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7n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304803
PNG
((R)-8-(2-chlorophenoxy)-2-(piperazin-1-yl)-5,6,7,8...)
Show SMILES Clc1ccccc1O[C@@H]1CCCc2ccc(nc12)N1CCNCC1 |r|
Show InChI InChI=1S/C19H22ClN3O/c20-15-5-1-2-6-16(15)24-17-7-3-4-14-8-9-18(22-19(14)17)23-12-10-21-11-13-23/h1-2,5-6,8-9,17,21H,3-4,7,10-13H2/t17-/m1/s1
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10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50016970
PNG
(4-Piperazin-1-yl-thieno[3,2-c]pyridine; hydrochlor...)
Show SMILES C1CN(CCN1)c1nccc2sccc12
Show InChI InChI=1S/C11H13N3S/c1-3-13-11(9-2-8-15-10(1)9)14-6-4-12-5-7-14/h1-3,8,12H,4-7H2
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14n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304806
PNG
((R)-7-(2-chlorophenoxy)-2-(piperazin-1-yl)-6,7-dih...)
Show SMILES Clc1ccccc1O[C@@H]1CCc2ccc(nc12)N1CCNCC1 |r|
Show InChI InChI=1S/C18H20ClN3O/c19-14-3-1-2-4-15(14)23-16-7-5-13-6-8-17(21-18(13)16)22-11-9-20-10-12-22/h1-4,6,8,16,20H,5,7,9-12H2/t16-/m1/s1
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20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50016972
PNG
(4-Piperazin-1-yl-furo[3,2-c]pyridine; hydrochlorid...)
Show SMILES C1CN(CCN1)c1nccc2occc12
Show InChI InChI=1S/C11H13N3O/c1-3-13-11(9-2-8-15-10(1)9)14-6-4-12-5-7-14/h1-3,8,12H,4-7H2
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22n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304812
PNG
(4-methoxy-2-(piperazin-1-yl)-5,6,7,8-tetrahydroqui...)
Show SMILES COc1nc(nc2CCCCc12)N1CCNCC1
Show InChI InChI=1S/C13H20N4O/c1-18-12-10-4-2-3-5-11(10)15-13(16-12)17-8-6-14-7-9-17/h14H,2-9H2,1H3
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23n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304800
PNG
((S)-7-(2,5-difluorobenzyloxy)-2-(piperazin-1-yl)-6...)
Show SMILES Fc1ccc(F)c(CO[C@H]2CCc3ccc(nc23)N2CCNCC2)c1 |r|
Show InChI InChI=1S/C19H21F2N3O/c20-15-3-4-16(21)14(11-15)12-25-17-5-1-13-2-6-18(23-19(13)17)24-9-7-22-8-10-24/h2-4,6,11,17,22H,1,5,7-10,12H2/t17-/m0/s1
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25n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304818
PNG
(4-(3-chlorobenzyloxy)-2-(piperazin-1-yl)thieno[3,2...)
Show SMILES Clc1cccc(COc2nc(nc3ccsc23)N2CCNCC2)c1
Show InChI InChI=1S/C17H17ClN4OS/c18-13-3-1-2-12(10-13)11-23-16-15-14(4-9-24-15)20-17(21-16)22-7-5-19-6-8-22/h1-4,9-10,19H,5-8,11H2
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28n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304820
PNG
(2-(piperazin-1-yl)-5,6,7,8-tetrahydroquinoline | C...)
Show SMILES C1CCc2nc(ccc2C1)N1CCNCC1
Show InChI InChI=1S/C13H19N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h5-6,14H,1-4,7-10H2
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45n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304815
PNG
(4-(piperazin-1-yl)thieno[3,2-d]pyrimidine | CHEMBL...)
Show SMILES C1CN(CCN1)c1ncnc2ccsc12
Show InChI InChI=1S/C10H12N4S/c1-6-15-9-8(1)12-7-13-10(9)14-4-2-11-3-5-14/h1,6-7,11H,2-5H2
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113n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304810
PNG
(4-(piperazin-1-yl)thieno[2,3-d]pyrimidine | CHEMBL...)
Show SMILES C1CN(CCN1)c1ncnc2sccc12
Show InChI InChI=1S/C10H12N4S/c1-6-15-10-8(1)9(12-7-13-10)14-4-2-11-3-5-14/h1,6-7,11H,2-5H2
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127n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304811
PNG
(6-methyl-4-(piperazin-1-yl)furo[2,3-d]pyrimidine |...)
Show SMILES Cc1cc2c(ncnc2o1)N1CCNCC1
Show InChI InChI=1S/C11H14N4O/c1-8-6-9-10(13-7-14-11(9)16-8)15-4-2-12-3-5-15/h6-7,12H,2-5H2,1H3
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156n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304813
PNG
(6-bromo-8-(piperazin-1-yl)imidazo[1,2-a]pyrazine |...)
Show SMILES Brc1cn2ccnc2c(n1)N1CCNCC1
Show InChI InChI=1S/C10H12BrN5/c11-8-7-16-6-3-13-9(16)10(14-8)15-4-1-12-2-5-15/h3,6-7,12H,1-2,4-5H2
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207n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304817
PNG
(6-(piperazin-1-yl)-9-propyl-9H-purine | CHEMBL5944...)
Show SMILES CCCn1cnc2c(ncnc12)N1CCNCC1
Show InChI InChI=1S/C12H18N6/c1-2-5-18-9-16-10-11(14-8-15-12(10)18)17-6-3-13-4-7-17/h8-9,13H,2-7H2,1H3
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378n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304821
PNG
(4-Piperazin-1-yl-benzo[4,5]thieno[3,2-d]pyrimidine...)
Show SMILES C1CN(CCN1)c1ncnc2c3ccccc3sc12
Show InChI InChI=1S/C14H14N4S/c1-2-4-11-10(3-1)12-13(19-11)14(17-9-16-12)18-7-5-15-6-8-18/h1-4,9,15H,5-8H2
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450n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50304819
PNG
(4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine | C...)
Show SMILES C1CN(CCN1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C10H13N5/c1-2-12-9-8(1)10(14-7-13-9)15-5-3-11-4-6-15/h1-2,7,11H,3-6H2,(H,12,13,14)
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755n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity against human 5HT2C receptor by FLIPR assay relative to 5HT


Bioorg Med Chem Lett 20: 266-71 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.112
BindingDB Entry DOI: 10.7270/Q2154H5M
More data for this
Ligand-Target Pair